WorldWideScience

Sample records for polarizable water systems

  1. Ion Transfer Voltammetry Associated with Two Polarizable Interfaces Within Water and Moderately Hydrophobic Ionic Liquid Systems

    DEFF Research Database (Denmark)

    Gan, Shiyu; Zhou, Min; Zhang, Jingdong

    2013-01-01

    An electrochemical system composed of two polarizable interfaces (the metallic electrode|water and water|ionic liquid interfaces), namely two‐polarized‐interface (TPI) technique, has been proposed to explore the ion transfer processes between water and moderately hydrophobic ionic liquids (W|mIL)...

  2. Transferability of polarizable models for ion-water electrostatic interaction

    International Nuclear Information System (INIS)

    Masia, Marco

    2009-01-01

    Studies of ion-water systems at condensed phase and at interfaces have pointed out that molecular and ionic polarization plays an important role for many phenomena ranging from hydrogen bond dynamics to water interfaces' structure. Classical and ab initio Molecular Dynamics simulations reveal that induced dipole moments at interfaces (e.g. air-water and water-protein) are usually high, hinting that polarizable models to be implemented in classical force fields should be very accurate in reproducing the electrostatic properties of the system. In this paper the electrostatic properties of three classical polarizable models for ion-water interaction are compared with ab initio results both at gas and condensed phase. For Li + - water and Cl - -water dimers the reproducibility of total dipole moments obtained with high level quantum chemical calculations is studied; for the same ions in liquid water, Car-Parrinello Molecular Dynamics simulations are used to compute the time evolution of ionic and molecular dipole moments, which are compared with the classical models. The PD2-H2O model developed by the author and coworkers [Masia et al. J. Chem. Phys. 2004, 121, 7362] together with the gaussian intermolecular damping for ion-water interaction [Masia et al. J. Chem. Phys. 2005, 123, 164505] showed to be the fittest in reproducing the ab initio results from gas to condensed phase, allowing for force field transferability.

  3. United polarizable multipole water model for molecular mechanics simulation

    Energy Technology Data Exchange (ETDEWEB)

    Qi, Rui; Wang, Qiantao; Ren, Pengyu, E-mail: pren@mail.utexas.edu [Department of Biomedical Engineering, The University of Texas at Austin, Austin, Texas 78712 (United States); Wang, Lee-Ping; Pande, Vijay S. [Department of Chemistry, Stanford University, Stanford, California 94305 (United States)

    2015-07-07

    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.

  4. Revised Parameters for the AMOEBA Polarizable Atomic Multipole Water Model.

    Science.gov (United States)

    Laury, Marie L; Wang, Lee-Ping; Pande, Vijay S; Head-Gordon, Teresa; Ponder, Jay W

    2015-07-23

    A set of improved parameters for the AMOEBA polarizable atomic multipole water model is developed. An automated procedure, ForceBalance, is used to adjust model parameters to enforce agreement with ab initio-derived results for water clusters and experimental data for a variety of liquid phase properties across a broad temperature range. The values reported here for the new AMOEBA14 water model represent a substantial improvement over the previous AMOEBA03 model. The AMOEBA14 model accurately predicts the temperature of maximum density and qualitatively matches the experimental density curve across temperatures from 249 to 373 K. Excellent agreement is observed for the AMOEBA14 model in comparison to experimental properties as a function of temperature, including the second virial coefficient, enthalpy of vaporization, isothermal compressibility, thermal expansion coefficient, and dielectric constant. The viscosity, self-diffusion constant, and surface tension are also well reproduced. In comparison to high-level ab initio results for clusters of 2-20 water molecules, the AMOEBA14 model yields results similar to AMOEBA03 and the direct polarization iAMOEBA models. With advances in computing power, calibration data, and optimization techniques, we recommend the use of the AMOEBA14 water model for future studies employing a polarizable water model.

  5. Partial Molar Volume of Methanol in Water: Effect of Polarizability

    Czech Academy of Sciences Publication Activity Database

    Moučka, F.; Nezbeda, Ivo

    2009-01-01

    Roč. 74, č. 4 (2009), s. 559-563 ISSN 0010-0765 R&D Projects: GA AV ČR IAA400720802 Institutional research plan: CEZ:AV0Z40720504 Keywords : water–methanol mixtures * partial molar volume * polarizability Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 0.856, year: 2009

  6. Polarizable water model for the coarse-grained MARTINI force field.

    Directory of Open Access Journals (Sweden)

    Semen O Yesylevskyy

    2010-06-01

    Full Text Available Coarse-grained (CG simulations have become an essential tool to study a large variety of biomolecular processes, exploring temporal and spatial scales inaccessible to traditional models of atomistic resolution. One of the major simplifications of CG models is the representation of the solvent, which is either implicit or modeled explicitly as a van der Waals particle. The effect of polarization, and thus a proper screening of interactions depending on the local environment, is absent. Given the important role of water as a ubiquitous solvent in biological systems, its treatment is crucial to the properties derived from simulation studies. Here, we parameterize a polarizable coarse-grained water model to be used in combination with the CG MARTINI force field. Using a three-bead model to represent four water molecules, we show that the orientational polarizability of real water can be effectively accounted for. This has the consequence that the dielectric screening of bulk water is reproduced. At the same time, we parameterized our new water model such that bulk water density and oil/water partitioning data remain at the same level of accuracy as for the standard MARTINI force field. We apply the new model to two cases for which current CG force fields are inadequate. First, we address the transport of ions across a lipid membrane. The computed potential of mean force shows that the ions now naturally feel the change in dielectric medium when moving from the high dielectric aqueous phase toward the low dielectric membrane interior. In the second application we consider the electroporation process of both an oil slab and a lipid bilayer. The electrostatic field drives the formation of water filled pores in both cases, following a similar mechanism as seen with atomistically detailed models.

  7. On a relationship between molecular polarizability and partial molar volume in water.

    Science.gov (United States)

    Ratkova, Ekaterina L; Fedorov, Maxim V

    2011-12-28

    We reveal a universal relationship between molecular polarizability (a single-molecule property) and partial molar volume in water that is an ensemble property characterizing solute-solvent systems. Since both of these quantities are of the key importance to describe solvation behavior of dissolved molecular species in aqueous solutions, the obtained relationship should have a high impact in chemistry, pharmaceutical, and life sciences as well as in environments. We demonstrated that the obtained relationship between the partial molar volume in water and the molecular polarizability has in general a non-homogeneous character. We performed a detailed analysis of this relationship on a set of ~200 organic molecules from various chemical classes and revealed its fine well-organized structure. We found that this structure strongly depends on the chemical nature of the solutes and can be rationalized in terms of specific solute-solvent interactions. Efficiency and universality of the proposed approach was demonstrated on an external test set containing several dozens of polyfunctional and druglike molecules.

  8. Electric dipole polarizability: from few- to many-body systems

    Directory of Open Access Journals (Sweden)

    Miorelli Mirko

    2016-01-01

    Full Text Available We review the Lorentz integral transform coupled-cluster method for the calculation of the electric dipole polarizability. We benchmark our results with exact hyperspherical harmonics calculations for 4He and then we move to a heavier nucleus studying 16O. We observe that the implemented chiral nucleon-nucleon interaction at next-to-next-to-next-to-leading order underestimates the electric dipole polarizability.

  9. Polarizability of the Nitrate Anion and Its Solvation at the Air/Water Interface

    Czech Academy of Sciences Publication Activity Database

    Salvador, P.; Curtis, J. E.; Tobias, D. J.; Jungwirth, Pavel

    2003-01-01

    Roč. 5, - (2003), s. 3752-3757 ISSN 1463-9076 R&D Projects: GA MŠk LN00A032 Institutional research plan: CEZ:AV0Z4040901 Keywords : polarizability * nitrate anion * air/water Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.959, year: 2003

  10. Domain nucleation in the contact layer at an interface of water and a polarizable substrate

    Science.gov (United States)

    Shevkunov, S. V.

    2013-10-01

    The growth of a molecular water film on the basic plane of a silver iodide monocrystal is studied through computer simulation. Decomposition into domains with spontaneous polarization is observed in the contact layer of the film at the interface with the substrate. The formation of domains is found to be sharply enhanced on a model substrate with the double polarizability of iodine ions; heteropolarization interactions caused by the formation of domain structures increase the film's coupling with the substrate. It is demonstrated that the vapor pressure needed for molecular film growth is reduced appreciably via heteropolarization interactions.

  11. Size-scaling behaviour of the electronic polarizability of one-dimensional interacting systems

    Science.gov (United States)

    Chiappe, G.; Louis, E.; Vergés, J. A.

    2018-05-01

    Electronic polarizability of finite chains is accurately calculated from the total energy variation of the system produced by small but finite static electric fields applied along the chain direction. Normalized polarizability, that is, polarizability divided by chain length, diverges as the second power of length for metallic systems but approaches a constant value for insulating systems. This behaviour provides a very convenient way to characterize the wave-function malleability of finite systems as it avoids the need of attaching infinite contacts to the chain ends. Hubbard model calculations at half filling show that the method works for a small U  =  1 interaction value that corresponds to a really small spectral gap of 0.005 (hopping t  =  ‑1 is assumed). Once successfully checked, the method has been applied to the long-range hopping model of Gebhard and Ruckenstein showing 1/r hopping decay (Gebhard and Ruckenstein 1992 Phys. Rev. Lett. 68 244; Gebhard et al 1994 Phys. Rev. B 49 10926). Metallicity for U values below the reported metal-insulator transition is obtained but the surprise comes for U values larger than the critical one (when a gap appears in the spectral density of states) because a steady increase of the normalized polarizability with size is obtained. This critical size-scaling behaviour can be understood as corresponding to a molecule which polarizability is unbounded. We have checked that a real transfer of charge from one chain end to the opposite occurs as a response to very small electric fields in spite of the existence of a large gap of the order of U for one-particle excitations. Finally, ab initio quantum chemistry calculations of realistic poly-acetylene chains prove that the occurrence of such critical behaviour in real systems is unlikely.

  12. A polarizable QM/MM approach to the molecular dynamics of amide groups solvated in water

    Energy Technology Data Exchange (ETDEWEB)

    Schwörer, Magnus; Wichmann, Christoph; Tavan, Paul, E-mail: tavan@physik.uni-muenchen.de [Lehrstuhl für BioMolekulare Optik, Ludwig-Maximilians Universität München, Oettingenstr. 67, 80538 München (Germany)

    2016-03-21

    The infrared (IR) spectra of polypeptides are dominated by the so-called amide bands. Because they originate from the strongly polar and polarizable amide groups (AGs) making up the backbone, their spectral positions sensitively depend on the local electric fields. Aiming at accurate computations of these IR spectra by molecular dynamics (MD) simulations, which derive atomic forces from a hybrid quantum and molecular mechanics (QM/MM) Hamiltonian, here we consider the effects of solvation in bulk liquid water on the amide bands of the AG model compound N-methyl-acetamide (NMA). As QM approach to NMA we choose grid-based density functional theory (DFT). For the surrounding MM water, we develop, largely based on computations, a polarizable molecular mechanics (PMM) model potential called GP6P, which features six Gaussian electrostatic sources (one induced dipole, five static partial charge distributions) and, therefore, avoids spurious distortions of the DFT electron density in hybrid DFT/PMM simulations. Bulk liquid GP6P is shown to have favorable properties at the thermodynamic conditions of the parameterization and beyond. Lennard-Jones (LJ) parameters of the DFT fragment NMA are optimized by comparing radial distribution functions in the surrounding GP6P liquid with reference data obtained from a “first-principles” DFT-MD simulation. Finally, IR spectra of NMA in GP6P water are calculated from extended DFT/PMM-MD trajectories, in which the NMA is treated by three different DFT functionals (BP, BLYP, B3LYP). Method-specific frequency scaling factors are derived from DFT-MD simulations of isolated NMA. The DFT/PMM-MD simulations with GP6P and with the optimized LJ parameters then excellently predict the effects of aqueous solvation and deuteration observed in the IR spectra of NMA. As a result, the methods required to accurately compute such spectra by DFT/PMM-MD also for larger peptides in aqueous solution are now at hand.

  13. A polarizable QM/MM approach to the molecular dynamics of amide groups solvated in water.

    Science.gov (United States)

    Schwörer, Magnus; Wichmann, Christoph; Tavan, Paul

    2016-03-21

    The infrared (IR) spectra of polypeptides are dominated by the so-called amide bands. Because they originate from the strongly polar and polarizable amide groups (AGs) making up the backbone, their spectral positions sensitively depend on the local electric fields. Aiming at accurate computations of these IR spectra by molecular dynamics (MD) simulations, which derive atomic forces from a hybrid quantum and molecular mechanics (QM/MM) Hamiltonian, here we consider the effects of solvation in bulk liquid water on the amide bands of the AG model compound N-methyl-acetamide (NMA). As QM approach to NMA we choose grid-based density functional theory (DFT). For the surrounding MM water, we develop, largely based on computations, a polarizable molecular mechanics (PMM) model potential called GP6P, which features six Gaussian electrostatic sources (one induced dipole, five static partial charge distributions) and, therefore, avoids spurious distortions of the DFT electron density in hybrid DFT/PMM simulations. Bulk liquid GP6P is shown to have favorable properties at the thermodynamic conditions of the parameterization and beyond. Lennard-Jones (LJ) parameters of the DFT fragment NMA are optimized by comparing radial distribution functions in the surrounding GP6P liquid with reference data obtained from a "first-principles" DFT-MD simulation. Finally, IR spectra of NMA in GP6P water are calculated from extended DFT/PMM-MD trajectories, in which the NMA is treated by three different DFT functionals (BP, BLYP, B3LYP). Method-specific frequency scaling factors are derived from DFT-MD simulations of isolated NMA. The DFT/PMM-MD simulations with GP6P and with the optimized LJ parameters then excellently predict the effects of aqueous solvation and deuteration observed in the IR spectra of NMA. As a result, the methods required to accurately compute such spectra by DFT/PMM-MD also for larger peptides in aqueous solution are now at hand.

  14. Effect of Level Broadening on the Polarizability in a Two-Dimensional System

    Science.gov (United States)

    Ando, Tsuneya

    1982-10-01

    The Lindhard polarizability is calculated in a two-dimensional system in the self-consistent Born approximation by assuming short-range scatterers. The known singularity at q{=}2kF, where kF is the Fermi wave vector, is shown to be rounded off in the presence of impurities. The effect is similar to that of nonzero temperatures in contrast to the result of Nkoma [J. Phys. C 14 (1981) 1685].

  15. Atomic polarizabilities

    International Nuclear Information System (INIS)

    Safronova, M. S.; Mitroy, J.; Clark, Charles W.; Kozlov, M. G.

    2015-01-01

    The atomic dipole polarizability governs the first-order response of an atom to an applied electric field. Atomic polarization phenomena impinge upon a number of areas and processes in physics and have been the subject of considerable interest and heightened importance in recent years. In this paper, we will summarize some of the recent applications of atomic polarizability studies. A summary of results for polarizabilities of noble gases, monovalent, and divalent atoms is given. The development of the CI+all-order method that combines configuration interaction and linearized coupled-cluster approaches is discussed

  16. Atomic polarizabilities

    Energy Technology Data Exchange (ETDEWEB)

    Safronova, M. S. [Department of Physics and Astronomy, University of Delaware, Newark, DE 19716 (United States); Mitroy, J. [School of Engineering, Charles Darwin University, Darwin NT 0909 (Australia); Clark, Charles W. [Joint Quantum Institute, National Institute of Standards and Technology and the University of Maryland, Gaithersburg, Maryland 20899-8410 (United States); Kozlov, M. G. [Petersburg Nuclear Physics Institute, Gatchina 188300 (Russian Federation)

    2015-01-22

    The atomic dipole polarizability governs the first-order response of an atom to an applied electric field. Atomic polarization phenomena impinge upon a number of areas and processes in physics and have been the subject of considerable interest and heightened importance in recent years. In this paper, we will summarize some of the recent applications of atomic polarizability studies. A summary of results for polarizabilities of noble gases, monovalent, and divalent atoms is given. The development of the CI+all-order method that combines configuration interaction and linearized coupled-cluster approaches is discussed.

  17. Open-ended response theory with polarizable embedding: multiphoton absorption in biomolecular systems.

    Science.gov (United States)

    Steindal, Arnfinn Hykkerud; Beerepoot, Maarten T P; Ringholm, Magnus; List, Nanna Holmgaard; Ruud, Kenneth; Kongsted, Jacob; Olsen, Jógvan Magnus Haugaard

    2016-10-12

    We present the theory and implementation of an open-ended framework for electric response properties at the level of Hartree-Fock and Kohn-Sham density functional theory that includes effects from the molecular environment modeled by the polarizable embedding (PE) model. With this new state-of-the-art multiscale functionality, electric response properties to any order can be calculated for molecules embedded in polarizable atomistic molecular environments ranging from solvents to complex heterogeneous macromolecules such as proteins. In addition, environmental effects on multiphoton absorption (MPA) properties can be studied by evaluating single residues of the response functions. The PE approach includes mutual polarization effects between the quantum and classical parts of the system through induced dipoles that are determined self-consistently with respect to the electronic density. The applicability of our approach is demonstrated by calculating MPA strengths up to four-photon absorption for the green fluorescent protein. We show how the size of the quantum region, as well as the treatment of the border between the quantum and classical regions, is crucial in order to obtain reliable MPA predictions.

  18. Water density and polarizability deduced from the refractive index determined by interferometric measurements up to 250 MPa.

    Science.gov (United States)

    Weiss, L; Tazibt, A; Tidu, A; Aillerie, M

    2012-03-28

    The refractive index of water is precisely determined in the visible light range as a function of the pressure until 250 MPa by means of a new measurement device that uses a special pipe tee included in an interferometer set. This technique allows revisiting the Bradley-Tait and Sellmeier equations to make them dependent on the wavelength and the pressure, respectively. The Bradley-Tait equation for the pressure dependence of the water refractive index is completed by a wavelength-dependent factor. Also, in the considered pressure and wavelength ranges, it is shown that the Sellmeier coefficients can be straightforwardly linked to the pressure, allowing the determination of the refractive index of water for either any wavelength or pressure. A new simple model allows the determination of the density of water as a function of the measured refractive index. Finally, the polarizability of water as function of pressure and wavelength is calculated by means of the Lorentz-Lorenz equation.

  19. The Ice-Vapor Interface and the Melting Point of Ice I-h for the Polarizable POL3 Water Model

    Czech Academy of Sciences Publication Activity Database

    Muchová, E.; Gladich, Ivan; Picaud, S.; Hoang, P. N. M.; Roeselová, Martina

    2011-01-01

    Roč. 115, č. 23 (2011), s. 5973-5982 ISSN 1089-5639 R&D Projects: GA ČR(CZ) GAP208/10/1724; GA MŠk LC512; GA MŠk MEB020919; GA MŠk MEB020715 Institutional research plan: CEZ:AV0Z40550506 Keywords : polarizable water force field * ice surface * melting point * ice slab Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.946, year: 2011

  20. Polarizable molecular mechanics studies of Cu(I)/Zn(II) superoxide dismutase: bimetallic binding site and structured waters.

    Science.gov (United States)

    Gresh, Nohad; El Hage, Krystel; Perahia, David; Piquemal, Jean-Philip; Berthomieu, Catherine; Berthomieu, Dorothée

    2014-11-05

    The existence of a network of structured waters in the vicinity of the bimetallic site of Cu/Zn-superoxide dismutase (SOD) has been inferred from high-resolution X-ray crystallography. Long-duration molecular dynamics (MD) simulations could enable to quantify the lifetimes and possible interchanges of these waters between themselves as well as with a ligand diffusing toward the bimetallic site. The presence of several charged or polar ligands makes it necessary to resort to second-generation polarizable potentials. As a first step toward such simulations, we benchmark in this article the accuracy of one such potential, sum of interactions between fragments Ab initio computed (SIBFA), by comparisons with quantum mechanics (QM) computations. We first consider the bimetallic binding site of a Cu/Zn-SOD, in which three histidines and a water molecule are bound to Cu(I) and three histidines and one aspartate are bound to Zn(II). The comparisons are made for different His6 complexes with either one or both cations, and either with or without Asp and water. The total net charges vary from zero to three. We subsequently perform preliminary short-duration MD simulations of 296 waters solvating Cu/Zn-SOD. Six representative geometries are selected and energy-minimized. Single-point SIBFA and QM computations are then performed in parallel on model binding sites extracted from these six structures, each of which totals 301 atoms including the closest 28 waters from the Cu metal site. The ranking of their relative stabilities as given by SIBFA is identical to the QM one, and the relative energy differences by both approaches are fully consistent. In addition, the lowest-energy structure, from SIBFA and QM, has a close overlap with the crystallographic one. The SIBFA calculations enable to quantify the impact of polarization and charge transfer in the ranking of the six structures. Five structural waters, which connect Arg141 and Glu131, are endowed with very high dipole moments

  1. Electromagnetic polarizabilities of hadrons

    International Nuclear Information System (INIS)

    Friar, J.L.

    1988-01-01

    Electromagnetic polarizabilities of hadrons are reviewed, after a discussion of classical analogues. Differences between relativistic and non-relativistic approaches can lead to conflicts with conventional nuclear physics sum rules and calculational techniques. The nucleon polarizabilities are discussed in the context of the non-relativistic valence quark model, which provides a good qualitative description. The recently measured pion polarizabilities are discussed in the context of chiral symmetry and quark-loop models. 58 refs., 5 figs

  2. Excited States in Solution through Polarizable Embedding

    DEFF Research Database (Denmark)

    Olsen, Jógvan Magnus; Aidas, Kestutis; Kongsted, Jacob

    2010-01-01

    We present theory and implementation of an advanced quantum mechanics/molecular mechanics (QM/MM) approach using a fully self-consistent polarizable embedding (PE) scheme. It is a polarizable layered model designed for effective yet accurate inclusion of an anisotropic medium in a quantum...... a nonequilibrium formulation of the environmental response. In our formulation of polarizable embedding we explicitly take into account the full self-consistent many-body environmental response from both ground and excited states. The PE-DFT method can be applied to any molecular system, e.g., proteins...

  3. Parallelization of the polarizable embedding scheme for higher-order response functions

    Science.gov (United States)

    Hykkerud Steindal, Arnfinn; Magnus Haugaard Olsen, Jógvan; Frediani, Luca; Kongsted, Jacob; Ruud, Kenneth

    2012-10-01

    We present a parallel implementation of the Polarizable Embedding (PE) method, an advanced quantum mechanics/molecular mechanics (QM/MM) approach, for Hartree-Fock (PE-HF) and density functional theory (PE-DFT). The parallelization includes calculations of energies and linear, quadratic, and cubic response functions. The couplings to the QM system due to the polarizable embedding potential have been implemented using a master/slave approach. The implementation shows good scaling behaviour, demonstrated through calculations on a small (a water molecule in a bulk of water molecules) and a larger system (Green Fluorescent Protein (GFP)).

  4. Molecular dynamics simulations of nonpolarizable inorganic salt solution interfaces: NaCl, NaBr, and NaI in transferable intermolecular potential 4-point with charge dependent polarizability (TIP4P-QDP) water

    Science.gov (United States)

    Bauer, Brad A.; Patel, Sandeep

    2010-01-01

    We present molecular dynamics simulations of the liquid-vapor interface of 1M salt solutions of nonpolarizable NaCl, NaBr, and NaI in polarizable transferable intermolecular potential 4-point with charge dependent polarizability water [B. A. Bauer et al., J. Chem. Theory Comput. 5, 359 (2009)]; this water model accommodates increased solvent polarizability (relative to the condensed phase) in the interfacial and vapor regions. We employ fixed-charge ion models developed in conjunction with the TIP4P-QDP water model to reproduce ab initio ion-water binding energies and ion-water distances for isolated ion-water pairs. The transferability of these ion models to the condensed phase was validated with hydration free energies computed using thermodynamic integration (TI) and appropriate energy corrections. Density profiles of Cl-, Br-, and I- exhibit charge layering in the interfacial region; anions and cation interfacial probabilities show marked localization, with the anions penetrating further toward the vapor than the cations. Importantly, in none of the cases studied do anions favor the outermost regions of the interface; there is always an aqueous region between the anions and vapor phase. Observed interfacial charge layering is independent of the strength of anion-cation interactions as manifest in anion-cation contact ion pair peaks and solvent separated ion pair peaks; by artificially modulating the strength of anion-cation interactions (independent of their interactions with solvent), we find little dependence on charge layering particularly for the larger iodide anion. The present results reiterate the widely held view of the importance of solvent and ion polarizability in mediating specific anion surface segregation effects. Moreover, due to the higher parametrized polarizability of the TIP4P-QDP condensed phase {1.31 Å3 for TIP4P-QDP versus 1.1 Å3 (TIP4P-FQ) and 0.87 Å3 (POL3) [Ponder and Case, Adv. Protein Chem. 66, 27 (2003)]} based on ab initio

  5. Response calculations based on an independent particle system with the exact one-particle density matrix: polarizabilities.

    Science.gov (United States)

    Giesbertz, K J H; Gritsenko, O V; Baerends, E J

    2014-05-14

    Recently, we have demonstrated that the problems finding a suitable adiabatic approximation in time-dependent one-body reduced density matrix functional theory can be remedied by introducing an additional degree of freedom to describe the system: the phase of the natural orbitals [K. J. H. Giesbertz, O. V. Gritsenko, and E. J. Baerends, Phys. Rev. Lett. 105, 013002 (2010); K. J. H. Giesbertz, O. V. Gritsenko, and E. J. Baerends, J. Chem. Phys. 133, 174119 (2010)]. In this article we will show in detail how the frequency-dependent response equations give the proper static limit (ω → 0), including the perturbation in the chemical potential, which is required in static response theory to ensure the correct number of particles. Additionally we show results for the polarizability for H2 and compare the performance of two different two-electron functionals: the phase-including Löwdin-Shull functional and the density matrix form of the Löwdin-Shull functional.

  6. Polarizable Embedded RI-CC2 Method for Two-Photon Absorption Calculations

    DEFF Research Database (Denmark)

    Hršak, Dalibor; Khah, Alireza Marefat; Christiansen, Ove

    2015-01-01

    We present a novel polarizable embedded resolution-of-identity coupled cluster singles and approximate doubles (PERI-CC2) method for calculation of two-photon absorption (TPA) spectra of large molecular systems. The method was benchmarked for three types of systems: a water-solvated molecule...

  7. Dynamical polarizability, screening and plasmons in one, two and three dimensional massive Dirac systems

    International Nuclear Information System (INIS)

    Thakur, Anmol; Agarwal, Amit; Sachdeva, Rashi

    2017-01-01

    We study the density–density response function of a collection of charged massive Dirac particles and present analytical expressions for the dynamical polarization function in one, two and three dimensions. The polarization function is then used to find the dispersion of the plasmon modes, and electrostatic screening of Coulomb interactions within the random phase approximation. We find that for massive Dirac systems, the oscillating screened potential (or density) decays as r −2 and r −3 in two and three dimensions respectively, and as r −1 for one dimensional non-interacting systems. However for massless Dirac systems there is no electrostatic screening or Friedel oscillation in one dimension, and the oscillating screened potential decays as r −3 and r −4 , in two and three dimensions respectively. Our analytical results for the polarization function will be useful for exploring the physics of massive and massless Dirac electrons in different experimental systems with varying dimensionality. (paper)

  8. Measurement of the pion polarizabilities at COMPASS

    CERN Document Server

    Guskov, A V

    2006-01-01

    The electromagnetic structure of pions is probed in $\\pi\\gamma$ Compton scattering in inverse kinematics (Primakoff effect) and described by the electric ($\\alpha_{\\pi}$) and magnetic ($\\beta_{\\pi}$) polarizabilities, that depend on the rigidity of pion’s internal structure as a composite particle. Values for pion polarizabilities can be extracted from the comparison of the theoretically predicted (under approximation of unstructured pion) cross section of Primakoff scattering and the measured cross section. The high beam intensity, good spectrometer resolution, the high rate capability, the high acceptance and possibility to use pion and muon beams, that are unique to the COMPASS experiment provide the tools to measure precisely the pion polarizabilities in the $\\pi^{-} + (A,Z)\\rightarrow\\pi^{-} + (A,Z) + \\gamma$ Primakoff reaction. This cross section is related to the cross section of Compton scattering on pion. A precise tracking system, electromagnetic and hadron calorimeters provide good conditions for...

  9. Polarizable protein packing

    KAUST Repository

    Ng, Albert H.

    2011-01-24

    To incorporate protein polarization effects within a protein combinatorial optimization framework, we decompose the polarizable force field AMOEBA into low order terms. Including terms up to the third-order provides a fair approximation to the full energy while maintaining tractability. We represent the polarizable packing problem for protein G as a hypergraph and solve for optimal rotamers with the FASTER combinatorial optimization algorithm. These approximate energy models can be improved to high accuracy [root mean square deviation (rmsd) < 1 kJ mol -1] via ridge regression. The resulting trained approximations are used to efficiently identify new, low-energy solutions. The approach is general and should allow combinatorial optimization of other many-body problems. © 2011 Wiley Periodicals, Inc. J Comput Chem, 2011 Copyright © 2011 Wiley Periodicals, Inc.

  10. Interfacial Structural Transition in Hydration Shells of a Polarizable Solute.

    Science.gov (United States)

    Dinpajooh, Mohammadhasan; Matyushov, Dmitry V

    2015-05-22

    Electrostatics of polar solvation is typically described by harmonic free energy functionals. Polarizability contributes a negative polarization term that can make the harmonic free energy negative. The harmonic truncation fails in this regime. Simulations of polarizable ideal dipoles in water show that water's susceptibility passes through a maximum in the range of polarizabilities zeroing the harmonic term out. The microscopic origin of the nonmonotonic behavior is an interfacial structural transition involving the density collapse of the first hydration layer and enhanced number of dangling OH bonds.

  11. Polarizable Empirical Force Field for Halogen-Containing Compounds Based on the Classical Drude Oscillator.

    Science.gov (United States)

    Lin, Fang-Yu; MacKerell, Alexander D

    2018-02-13

    The quality of the force field is crucial to ensure the accuracy of simulations used in molecular modeling, including computer-aided drug design (CADD). To perform more accurate modeling and simulations of halogenated molecules, in this study the polarizable force field based on the classical Drude oscillator model was extended to both aliphatic and aromatic systems using halogenated ethane and benzene model compounds for the halogens F, Cl, Br, and I. The force field parameters were optimized targeting quantum mechanical dipole moments, water interactions, and molecular polarizabilities as well as experimental observables, including enthalpies of vaporization, molecular volumes, hydration free energies, and dielectric constants. The developed halogenated polarizable force field is capable of reproducing QM relative energies and geometries of both halogen bonds and halogen-hydrogen bond donor interactions at an unprecedented level due to the inclusion of a virtual particle and anisotropic atomic polarizability on the halogen and, notably, the inclusion of Lennard-Jones parameters on the halogen Drude particle. The model was validated on the basis of its ability to accurately reproduce pure solvent properties for halogenated naphthalenes and alkanes, including species analogous to those used as refrigerants. Accordingly, it is anticipated that the model will be applicable for the study of halogenated derivatives in CADD as well as in other chemical and biophysical studies.

  12. Parity nonconservation and nuclear polarizabilities

    International Nuclear Information System (INIS)

    Haxton, W.

    1990-01-01

    The hadronic weak interaction contributes to parity nonconserving observables in semileptonic interactions. Weak nuclear polarizabilities are frequently important in such interactions. Some of the interesting physics is illustrated by 18 F, a nucleus that provides an important constraint on the neutral weak hadronic current. One observable where the nuclear polarizability is expected to dominate is the nuclear anapole moment. The long-range pion contribution to this weak radiative correction is explored for both nucleons and nuclei. Similar polarizabilities that arise for time-reversal-odd hadronic interactions that conserve or violate parity are discussed in connection with atomic electric dipole moments. 20 refs., 4 figs

  13. Pion polarizabilities measurement at COMPASS

    CERN Document Server

    Guskov, Alexey

    2008-01-01

    The electromagnetic structure of pions is probed in $\\pi^{−}+(A,Z) \\rightarrow\\pi^{−}+(A,Z)+\\gamma$ Compton scattering in inverse kinematics (Primakoff reaction) and described by the electric ($\\bar{\\alpha_{\\pi}}$) and the magnetic ($\\bar{\\beta_{\\pi}}$) polarizabilities that depend on the rigidity of pion’s internal structure as a composite particle. Values for pion polarizabilities can be extracted from the comparison of the differential cross section for scattering of pointlike pions with the measured cross section. The pion polarizability measurement was performed with a $\\pi^{-}$ beam of 190 GeV. The high beam intensity, the good spectrometer resolution, the high rate capability, the high acceptance and the possibility to use pion and muon beams, unique to the COMPASS experiment, provide the tools to measure precisely the pion polarizabilities in the Primakoff reaction.

  14. Molecular Properties through Polarizable Embedding

    DEFF Research Database (Denmark)

    Olsen, Jógvan Magnus Haugaard; Kongsted, Jacob

    2011-01-01

    We review the theory related to the calculation of electric and magnetic molecular properties through polarizable embedding. In particular, we derive the expressions for the response functions up to the level of cubic response within the density functional theory-based polarizable embedding (PE......-DFT) formalism. In addition, we discuss some illustrative applications related to the calculation of nuclear magnetic resonance parameters, nonlinear optical properties, and electronic excited states in solution....

  15. On the use of pseudostates to calculate molecular polarizabilities

    Energy Technology Data Exchange (ETDEWEB)

    Jones, Marc; Tennyson, Jonathan [Department of Physics and Astronomy, University College London, Gower St, London WC1E 6BT (United Kingdom)

    2010-02-28

    The polarizability of a molecule is an intrinsic property which is important for a large variety of problems. However, determining reliable values for these polarizabilities is not straightforward: for instance the standard sum over states formulation of the problem does not converge because of the need to include not only many excited states but also to allow for contributions from the continuum. Here a formulation of this technique is given which uses pseudostates to allow for physical and continuum states otherwise omitted from the expansion. The pseudostates are represented by even-tempered expansions of Gaussian-type orbitals at the molecular centre-of-mass. The method is tested for LiH, Li{sub 2}, water and CO molecules. For LiH and CO, calculations for the polarizability of low-lying excited states are presented including that for the A {sup 3}PI state of CO, whose polarizability appears not to have been previously determined. It is suggested that the use of pseudostates provides a straightforward method of calculating static polarizabilities of molecules in both ground and excited electronic states. The extension of the method to the calculation of dynamic polarizabilities is discussed.

  16. The multi-configuration self-consistent field method within a polarizable embedded framework

    Science.gov (United States)

    Hedegârd, Erik Donovan; List, Nanna H.; Jensen, Hans Jørgen Aagaard; Kongsted, Jacob

    2013-07-01

    We present a detailed derivation of Multi-Configuration Self-Consistent Field (MCSCF) optimization and linear response equations within the polarizable embedding scheme: PE-MCSCF. The MCSCF model enables a proper description of multiconfigurational effects in reaction paths, spin systems, excited states, and other properties which cannot be described adequately with current implementations of polarizable embedding in density functional or coupled cluster theories. In the PE-MCSCF scheme the environment surrounding the central quantum mechanical system is represented by distributed multipole moments and anisotropic dipole-dipole polarizabilities. The PE-MCSCF model has been implemented in DALTON. As a preliminary application, the low lying valence states of acetone and uracil in water has been calculated using Complete Active Space Self-Consistent Field (CASSCF) wave functions. The dynamics of the water environment have been simulated using a series of snapshots generated from classical Molecular Dynamics. The calculated shifts from gas-phase to water display between good and excellent correlation with experiment and previous calculations. As an illustration of another area of potential applications we present calculations of electronic transitions in the transition metal complex, [Fe(NO)(CN)5]2 - in a micro-solvated environment. This system is highly multiconfigurational and the influence of solvation is significant.

  17. Quantum master equation method based on the broken-symmetry time-dependent density functional theory: application to dynamic polarizability of open-shell molecular systems.

    Science.gov (United States)

    Kishi, Ryohei; Nakano, Masayoshi

    2011-04-21

    A novel method for the calculation of the dynamic polarizability (α) of open-shell molecular systems is developed based on the quantum master equation combined with the broken-symmetry (BS) time-dependent density functional theory within the Tamm-Dancoff approximation, referred to as the BS-DFTQME method. We investigate the dynamic α density distribution obtained from BS-DFTQME calculations in order to analyze the spatial contributions of electrons to the field-induced polarization and clarify the contributions of the frontier orbital pair to α and its density. To demonstrate the performance of this method, we examine the real part of dynamic α of singlet 1,3-dipole systems having a variety of diradical characters (y). The frequency dispersion of α, in particular in the resonant region, is shown to strongly depend on the exchange-correlation functional as well as on the diradical character. Under sufficiently off-resonant condition, the dynamic α is found to decrease with increasing y and/or the fraction of Hartree-Fock exchange in the exchange-correlation functional, which enhances the spin polarization, due to the decrease in the delocalization effects of π-diradical electrons in the frontier orbital pair. The BS-DFTQME method with the BHandHLYP exchange-correlation functional also turns out to semiquantitatively reproduce the α spectra calculated by a strongly correlated ab initio molecular orbital method, i.e., the spin-unrestricted coupled-cluster singles and doubles.

  18. Quantum Gravitational Force Between Polarizable Objects

    Science.gov (United States)

    Ford, L. H.; Hertzberg, Mark P.; Karouby, J.

    2016-04-01

    Since general relativity is a consistent low energy effective field theory, it is possible to compute quantum corrections to classical forces. Here we compute a quantum correction to the gravitational potential between a pair of polarizable objects. We study two distant bodies and compute a quantum force from their induced quadrupole moments due to two-graviton exchange. The effect is in close analogy to the Casimir-Polder and London-van der Waals forces between a pair of atoms from their induced dipole moments due to two photon exchange. The new effect is computed from the shift in vacuum energy of metric fluctuations due to the polarizability of the objects. We compute the potential energy at arbitrary distances compared to the wavelengths in the system, including the far and near regimes. In the far distance, or retarded, regime, the potential energy takes on a particularly simple form: V (r )=-3987 ℏc G2α1 Sα2 S/(4 π r11) , where α1 S , α2 S are the static gravitational quadrupole polarizabilities of each object. We provide estimates of this effect.

  19. Pion polarizabilities measurement at COMPASS

    CERN Document Server

    Guskov, Alexey

    2008-01-01

    The electromagnetic structure of pions is probed in $\\pi^{−} + (A,Z)\\rightarrow\\pi^{−} + (A,Z) +\\gamma$ Compton scattering in inverse kinematics (Primakoff reaction) and described by the electric $(\\bar{\\alpha_{\\pi}})$ and the magnetic $(\\bar{\\beta_{\\pi}})$ polarizabilities that depend on the rigidity of pion’s internal structure as a composite particle. Values for pion polarizabilities can be extracted from the comparison of the differential cross section for scattering of pointlike pions with the measured cross section. The pion polarizability measurement was performed with $a \\pi^{−}$ beam of 190 GeV. The high beam intensity, the good spectrometer resolution, the high rate capability, the high acceptance and the possibility to use pion and muon beams, unique to the COMPASS experiment, provide the tools to measure precisely the pion polarizabilities in the Primakoff reaction. The preliminary result for pion polarizabilities under the assumption of $\\bar{\\alpha_{\\pi}} + \\bar{\\beta_{\\pi}} =$ 0 is $\\ba...

  20. A Polarizable Atomic Multipole-Based Force Field for Molecular Dynamics Simulations of Anionic Lipids.

    Science.gov (United States)

    Chu, Huiying; Peng, Xiangda; Li, Yan; Zhang, Yuebin; Li, Guohui

    2017-12-31

    In all of the classical force fields, electrostatic interaction is simply treated and explicit electronic polarizability is neglected. The condensed-phase polarization, relative to the gas-phase charge distributions, is commonly accounted for in an average way by increasing the atomic charges, which remain fixed throughout simulations. Based on the lipid polarizable force field DMPC and following the same framework as Atomic Multipole Optimized Energetics for BiomoleculAr (AMOEBA) simulation, the present effort expands the force field to new anionic lipid models, in which the new lipids contain DMPG and POPS. The parameters are compatible with the AMOEBA force field, which includes water, ions, proteins, etc. The charge distribution of each atom is represented by the permanent atomic monopole, dipole and quadrupole moments, which are derived from the ab initio gas phase calculations. Many-body polarization including the inter- and intramolecular polarization is modeled in a consistent manner with distributed atomic polarizabilities. Molecular dynamics simulations of the two aqueous DMPG and POPS membrane bilayer systems, consisting of 72 lipids with water molecules, were then carried out to validate the force field parameters. Membrane width, area per lipid, volume per lipid, deuterium order parameters, electron density profile, electrostatic potential difference between the center of the bilayer and water are all calculated, and compared with limited experimental data.

  1. Thole's interacting polarizability model in computational chemistry practice

    NARCIS (Netherlands)

    deVries, AH; vanDuijnen, PT; Zijlstra, RWJ; Swart, M

    Thole's interacting polarizability model to calculate molecular polarizabilities from interacting atomic polarizabilities is reviewed and its major applications in computational chemistry are illustrated. The applications include prediction of molecular polarizabilities, use in classical expressions

  2. Evaluating excited state atomic polarizabilities of chromophores.

    Science.gov (United States)

    Heid, Esther; Hunt, Patricia A; Schröder, Christian

    2018-03-28

    Ground and excited state dipoles and polarizabilities of the chromophores N-methyl-6-oxyquinolinium betaine (MQ) and coumarin 153 (C153) in solution have been evaluated using time-dependent density functional theory (TD-DFT). A method for determining the atomic polarizabilities has been developed; the molecular dipole has been decomposed into atomic charge transfer and polarizability terms, and variation in the presence of an electric field has been used to evaluate atomic polarizabilities. On excitation, MQ undergoes very site-specific changes in polarizability while C153 shows significantly less variation. We also conclude that MQ cannot be adequately described by standard atomic polarizabilities based on atomic number and hybridization state. Changes in the molecular polarizability of MQ (on excitation) are not representative of the local site-specific changes in atomic polarizability, thus the overall molecular polarizability ratio does not provide a good approximation for local atom-specific polarizability changes on excitation. Accurate excited state force fields are needed for computer simulation of solvation dynamics. The chromophores considered in this study are often used as molecular probes. The methods and data reported here can be used for the construction of polarizable ground and excited state force fields. Atomic and molecular polarizabilities (ground and excited states) have been evaluated over a range of functionals and basis sets. Different mechanisms for including solvation effects have been examined; using a polarizable continuum model, explicit solvation and via sampling of clusters extracted from a MD simulation. A range of different solvents have also been considered.

  3. Gravitational polarizability of black holes

    International Nuclear Information System (INIS)

    Damour, Thibault; Lecian, Orchidea Maria

    2009-01-01

    The gravitational polarizability properties of black holes are compared and contrasted with their electromagnetic polarizability properties. The 'shape' or 'height' multipolar Love numbers h l of a black hole are defined and computed. They are then compared to their electromagnetic analogs h l EM . The Love numbers h l give the height of the lth multipolar 'tidal bulge' raised on the horizon of a black hole by faraway masses. We also discuss the shape of the tidal bulge raised by a test-mass m, in the limit where m gets very close to the horizon.

  4. AUTOMATED FORCE FIELD PARAMETERIZATION FOR NON-POLARIZABLE AND POLARIZABLE ATOMIC MODELS BASED ONAB INITIOTARGET DATA.

    Science.gov (United States)

    Huang, Lei; Roux, Benoît

    2013-08-13

    Classical molecular dynamics (MD) simulations based on atomistic models are increasingly used to study a wide range of biological systems. A prerequisite for meaningful results from such simulations is an accurate molecular mechanical force field. Most biomolecular simulations are currently based on the widely used AMBER and CHARMM force fields, which were parameterized and optimized to cover a small set of basic compounds corresponding to the natural amino acids and nucleic acid bases. Atomic models of additional compounds are commonly generated by analogy to the parameter set of a given force field. While this procedure yields models that are internally consistent, the accuracy of the resulting models can be limited. In this work, we propose a method, General Automated Atomic Model Parameterization (GAAMP), for generating automatically the parameters of atomic models of small molecules using the results from ab initio quantum mechanical (QM) calculations as target data. Force fields that were previously developed for a wide range of model compounds serve as initial guess, although any of the final parameter can be optimized. The electrostatic parameters (partial charges, polarizabilities and shielding) are optimized on the basis of QM electrostatic potential (ESP) and, if applicable, the interaction energies between the compound and water molecules. The soft dihedrals are automatically identified and parameterized by targeting QM dihedral scans as well as the energies of stable conformers. To validate the approach, the solvation free energy is calculated for more than 200 small molecules and MD simulations of 3 different proteins are carried out.

  5. One-Photon Absorption Properties from a Hybrid Polarizable Density Embedding/Complex Polarization Propagator Approach for Polarizable Solutions

    DEFF Research Database (Denmark)

    Hršak, Dalibor; Nørby, Morten Steen; Coriani, Sonia

    2018-01-01

    We present a formulation of the polarizable density embedding (PDE) method in combination with the complex polarization propagator (CPP) method for the calculation of absorption spectra of molecules in solutions. The method is particularly useful for the calculation of near-edge X-ray absorption...... fine structure (NEXAFS) spectra. We compare the performance of PDE-CPP with the previously formulated polarizable embedding (PE)-CPP model for the calculation of the NEXAFS spectra of adenine, formamide, glycine, and adenosine triphosphate (ATP) in water at the carbon and nitrogen K-edges, as well...

  6. Polarizability and alignment of dielectric nanoparticles in an external electric field: Bowls, dumbbells, and cuboids

    NARCIS (Netherlands)

    Kwaadgras, B.W.; Verdult, M.; Dijkstra, M.; van Roij, R.H.H.G.

    2011-01-01

    We employ the coupled dipole method to calculate the polarizability tensor of various anisotropic dielectric clusters of polarizable atoms, such as cuboid-, bowl-, and dumbbell-shaped nanoparticles. Starting from a Hamiltonian of a many-atom system, we investigate how this tensor depends on the size

  7. Solvation structure and dynamics of Ni{sup 2+}(aq) from a polarizable force field

    Energy Technology Data Exchange (ETDEWEB)

    Mareš, Jiří, E-mail: jiri.mares@oulu.fi; Vaara, Juha

    2014-10-31

    Highlights: • We parameterize the Ni{sup 2+} ion within the AMOEBA polarizable forcefield. • Besides vdW parameters, we fit also polarizability, Thole damping and charge. • We use an empirical adjustment to account for the transition into condensed phase. • Very good structural and dynamical properties of Ni{sup 2+}(aq) are demonstrated. - Abstract: An aqueous solution of Ni{sup 2+} has often been used as a prototypic transition-metal system for experimental and theoretical studies in nuclear and electron-spin magnetic resonance (NMR and ESR). Molecular dynamics (MD) simulation of Ni{sup 2+}(aq) has been a part of many of these studies. As a transition metal complex, its MD simulation is particularly difficult using common force fields. In this work, we parameterize the Ni{sup 2+} ion for a simulation of the aqueous solution within the modern polarizable force field AMOEBA. We show that a successful parameterization is possible for this specific case when releasing the physical interpretation of the electrostatic and polarization parameters of the force field. In doing so, particularly the Thole damping parameter and also the ion charge and polarizability were used as fitting parameters. The resulting parameterizations give in a MD simulation good structural and dynamical properties of the [Ni(H{sub 2}O){sub 6}]{sup 2+} complex, along with the expected excellent performance of AMOEBA for the water solvent. The presented parameterization is appropriate for high-accuracy simulations of both structural and dynamic properties of Ni{sup 2+}(aq). This work documents possible approaches of parameterization of a transition metal within the AMOEBA force field.

  8. Polarizability and alignment of dielectric nanoparticles in an external electric field: bowls, dumbbells, and cuboids.

    Science.gov (United States)

    Kwaadgras, Bas W; Verdult, Maarten; Dijkstra, Marjolein; van Roij, René

    2011-10-07

    We employ the coupled dipole method to calculate the polarizability tensor of various anisotropic dielectric clusters of polarizable atoms, such as cuboid-, bowl-, and dumbbell-shaped nanoparticles. Starting from a Hamiltonian of a many-atom system, we investigate how this tensor depends on the size and shape of the cluster. We use the polarizability tensor to calculate the energy difference associated with turning a nanocluster from its least to its most favorable orientation in a homogeneous static electric field, and we determine the cluster dimension for which this energy difference exceeds the thermal energy such that particle alignment by the field is possible. Finally, we study in detail the (local) polarizability of a cubic-shaped cluster and present results indicating that, when retardation is ignored, a bulk polarizability cannot be reached by scaling up the system. © 2011 American Institute of Physics

  9. Pion Polarizability Status Report (2017)

    OpenAIRE

    Moinester, Murray

    2017-01-01

    The electric ${\\alpha}_{\\pi}$ and magnetic $\\beta_{\\pi}$ charged pion Compton polarizabilities are of fundamental interest in the low-energy sector of quantum chromodynamics (QCD).They are directly linked to the phenomenon of spontaneously broken chiral symmetry within QCD and to the dynamics of the pion-photon interaction.The combination (${\\alpha}_{\\pi}-\\beta_{\\pi}$) was measured by:(1) CERN COMPASS via radiative pion Primakoff scattering (Bremsstrahlung) in the nuclear Coulomb field, ${\\pi...

  10. Accounting for electronic polarization in non-polarizable force fields.

    Science.gov (United States)

    Leontyev, Igor; Stuchebrukhov, Alexei

    2011-02-21

    The issues of electronic polarizability in molecular dynamics simulations are discussed. We argue that the charges of ionized groups in proteins, and charges of ions in conventional non-polarizable force fields such as CHARMM, AMBER, GROMOS, etc should be scaled by a factor about 0.7. Our model explains why a neglect of electronic solvation energy, which typically amounts to about a half of total solvation energy, in non-polarizable simulations with un-scaled charges can produce a correct result; however, the correct solvation energy of ions does not guarantee the correctness of ion-ion pair interactions in many non-polarizable simulations. The inclusion of electronic screening for charged moieties is shown to result in significant changes in protein dynamics and can give rise to new qualitative results compared with the traditional non-polarizable force field simulations. The model also explains the striking difference between the value of water dipole μ∼ 3D reported in recent ab initio and experimental studies with the value μ(eff)∼ 2.3D typically used in the empirical potentials, such as TIP3P or SPC/E. It is shown that the effective dipole of water can be understood as a scaled value μ(eff) = μ/√ε(el), where ε(el) = 1.78 is the electronic (high-frequency) dielectric constant of water. This simple theoretical framework provides important insights into the nature of the effective parameters, which is crucial when the computational models of liquid water are used for simulations in different environments, such as proteins, or for interaction with solutes.

  11. Spin polarizability of hyperons

    Indian Academy of Sciences (India)

    2014-11-04

    Nov 4, 2014 ... baryon system will have three terms of order p, the loop contribution of order p2, p3 and also counterterms of order p2 and p3. Hence, complete one-loop diagram to order O(p3) involves one insertion from L(1). φN and tree-level diagrams. In HBChPT, the amplitude for. Pramana – J. Phys., Vol. 83, No. 5 ...

  12. Metal-organic materials (MOMs) for adsorption of polarizable gases and methods of using MOMs

    Science.gov (United States)

    Zaworotko, Michael; Mohamed, Mona H.; Elsaidi, Sameh

    2017-06-14

    Embodiments of the present disclosure provide for multi-component metal-organic materials (MOMs), systems including the MOM, systems for separating components in a gas, methods of separating polarizable gases from a gas mixture, and the like.

  13. Computational analysis of electronic polarizabilities in Thomas ...

    African Journals Online (AJOL)

    The electric polarizability,α, of a molecule is a measure of its ability to respond to an electric field and acquire an electric dipole moment, μ. The electric polarizability, α has been calculated for several ions and atoms by obtaining the perturbation of wave functions by an external field from a numerical solution of differential ...

  14. Modeling Molecular Systems at Extreme Pressure by an Extension of the Polarizable Continuum Model (PCM) Based on the Symmetry-Adapted Cluster-Configuration Interaction (SAC-CI) Method: Confined Electronic Excited States of Furan as a Test Case.

    Science.gov (United States)

    Fukuda, Ryoichi; Ehara, Masahiro; Cammi, Roberto

    2015-05-12

    Novel molecular photochemistry can be developed by combining high pressure and laser irradiation. For studying such high-pressure effects on the confined electronic ground and excited states, we extend the PCM (polarizable continuum model) SAC (symmetry-adapted cluster) and SAC-CI (SAC-configuration interaction) methods to the PCM-XP (extreme pressure) framework. By using the PCM-XP SAC/SAC-CI method, molecular systems in various electronic states can be confined by polarizable media in a smooth and flexible way. The PCM-XP SAC/SAC-CI method is applied to a furan (C4H4O) molecule in cyclohexane at high pressure (1-60 GPa). The relationship between the calculated free-energy and cavity volume can be approximately represented with the Murnaghan equation of state. The excitation energies of furan in cyclohexane show blueshifts with increasing pressure, and the extents of the blueshifts significantly depend on the character of the excitations. Particularly large confinement effects are found in the Rydberg states. The energy ordering of the lowest Rydberg and valence states alters under high-pressure. The pressure effects on the electronic structure may be classified into two contributions: a confinement of the molecular orbital and a suppression of the mixing between the valence and Rydberg configurations. The valence or Rydberg character in an excited state is, therefore, enhanced under high pressure.

  15. Drinking Water Distribution Systems

    Science.gov (United States)

    Learn about an overview of drinking water distribution systems, the factors that degrade water quality in the distribution system, assessments of risk, future research about these risks, and how to reduce cross-connection control risk.

  16. Water Fluoridation Reporting System (Public Water Systems)

    Data.gov (United States)

    U.S. Department of Health & Human Services — The Water Fluoridation Reporting System (WFRS) has been developed to provide tools to assist states in managing fluoridation programs. WFRS is designed to track all...

  17. Static and dynamic polarizabilities of Na- within a variationally stable coupled-channel hyperspherical method

    International Nuclear Information System (INIS)

    Masili, Mauro; Groote, J.J. de

    2004-01-01

    Using a model potential representation combined with a variationally stable method, we present a precise calculation of the electric dipole polarizabilities of the sodium negative ion (Na - ). The effective two-electron eigensolutions for Na - are obtained from a hyperspherical coupled-channel calculation. This approach allows efficient error control and insight into the system's properties through one-dimensional potential curves. Our result of 1018.3 a.u. for the static dipole polarizability is in agreement with previous calculations and supports our results for the dynamic polarizability, which has scarcely been investigated hitherto

  18. The electric polarizability of a particle bound by a one-dimensional ionic crystal

    International Nuclear Information System (INIS)

    Balderas, Daniel; González, Gabriel

    2013-01-01

    We consider the problem of a particle confined to a one-dimensional ionic crystal of finite length modeled by repulsive and attractive delta functions and subject to the application of an external constant electric field. Exact expressions for the electric polarizability of the system via the Dalgarno–Lewis technique are obtained in second order perturbation theory. The study uncovers the behavior of the electric polarizability as a function of the number of ions in the system. (paper)

  19. Classification of Simple Oxides: A Polarizability Approach

    Science.gov (United States)

    Dimitrov, Vesselin; Komatsu, Takayuki

    2002-01-01

    A simple oxide classification has been proposed on the basis of correlation between electronic polarizabilities of the ions and their binding energies determined by XPS. Three groups of oxides have been considered taking into account the values obtained on refractive-index- or energy-gap-based oxide ion polarizability, cation polarizability, optical basicity, O 1s binding energy, metal (or nonmetal) binding energy, and Yamashita-Kurosawa's interaction parameter of the oxides. The group of semicovalent predominantly acidic oxides includes BeO, B2O3, P2O5, SiO2, Al2O3, GeO2, and Ga2O3 with low oxide ion polarizability, high O 1s binding energy, low cation polarizability, high metal (or nonmetal) outermost binding energy, comparatively low optical basicity, and strong interionic interaction, leading to the formation of strong covalent bonds. Some main group oxides so-called ionic or basic such as CaO, In2O3, SnO2, and TeO2 and most transition metal oxides show relatively high oxide ion polarizability, O 1s binding energy in a very narrow medium range, high cation polarizability, and low metal (or nonmetal) binding energy. Their optical basicity varies in a narrow range and it is close to that of CaO. The group of very ionic or very basic oxides includes CdO, SrO, and BaO as well as PbO, Sb2O3, and Bi2O3, which possess very high oxide ion polarizability, low O 1s binding energy, very high cation polarizability, and very low metal (or nonmetal) binding energy. Their optical basicity is higher than that of CaO and the interionic interaction is very weak, giving rise to the formation of very ionic chemical bonds.

  20. Analytical transition-matrix treatment of electric multipole polarizabilities of hydrogen-like atoms

    International Nuclear Information System (INIS)

    Kharchenko, V.F.

    2015-01-01

    The direct transition-matrix approach to the description of the electric polarization of the quantum bound system of particles is used to determine the electric multipole polarizabilities of the hydrogen-like atoms. It is shown that in the case of the bound system formed by the Coulomb interaction the corresponding inhomogeneous integral equation determining an off-shell scattering function, which consistently describes virtual multiple scattering, can be solved exactly analytically for all electric multipole polarizabilities. Our method allows to reproduce the known Dalgarno–Lewis formula for electric multipole polarizabilities of the hydrogen atom in the ground state and can also be applied to determine the polarizability of the atom in excited bound states. - Highlights: • A new description for electric polarization of hydrogen-like atoms. • Expression for multipole polarizabilities in terms of off-shell scattering functions. • Derivation of integral equation determining the off-shell scattering function. • Rigorous analytic solving the integral equations both for ground and excited states. • Study of contributions of virtual multiple scattering to electric polarizabilities

  1. Dynamic polarizability of a complex atom in strong laser fields

    International Nuclear Information System (INIS)

    Rapoport, L.P.; Klinskikh, A.F.; Mordvinov, V.V.

    1997-01-01

    An asymptotic expansion of the dynamic polarizability of a complex atom in a strong circularly polarized light field is found for the case of high frequencies. The self-consistent approximation of the Hartree-Fock type for the ''atom+field'' system is developed, within the framework of which a numerical calculation of the dynamic polarizability of Ne, Kr, and Ar atoms in a strong radiation field is performed. The strong field effect is shown to manifest itself not only in a change of the energy spectrum and the character of behavior of the wave functions of atomic electrons, but also in a modification of the one-electron self-consistent potential for the atom in the field

  2. Cooling water distribution system

    Science.gov (United States)

    Orr, Richard

    1994-01-01

    A passive containment cooling system for a nuclear reactor containment vessel. Disclosed is a cooling water distribution system for introducing cooling water by gravity uniformly over the outer surface of a steel containment vessel using an interconnected series of radial guide elements, a plurality of circumferential collector elements and collector boxes to collect and feed the cooling water into distribution channels extending along the curved surface of the steel containment vessel. The cooling water is uniformly distributed over the curved surface by a plurality of weirs in the distribution channels.

  3. GROMOS polarizable charge-on-spring models for liquid urea: COS/U and COS/U2.

    Science.gov (United States)

    Lin, Zhixiong; Bachmann, Stephan J; van Gunsteren, Wilfred F

    2015-03-07

    Two one-site polarizable urea models, COS/U and COS/U2, based on the charge-on-spring model are proposed. The models are parametrized against thermodynamic properties of urea-water mixtures in combination with the polarizable COS/G2 and COS/D2 models for liquid water, respectively, and have the same functional form of the inter-atomic interaction function and are based on the same parameter calibration procedure and type of experimental data as used to develop the GROMOS biomolecular force field. Thermodynamic, dielectric, and dynamic properties of urea-water mixtures simulated using the polarizable models are closer to experimental data than using the non-polarizable models. The COS/U and COS/U2 models may be used in biomolecular simulations of protein denaturation.

  4. Molecule-specific determination of atomic polarizabilities with the polarizable atomic multipole model.

    Science.gov (United States)

    Woo Kim, Hyun; Rhee, Young Min

    2012-07-30

    Recently, many polarizable force fields have been devised to describe induction effects between molecules. In popular polarizable models based on induced dipole moments, atomic polarizabilities are the essential parameters and should be derived carefully. Here, we present a parameterization scheme for atomic polarizabilities using a minimization target function containing both molecular and atomic information. The main idea is to adopt reference data only from quantum chemical calculations, to perform atomic polarizability parameterizations even when relevant experimental data are scarce as in the case of electronically excited molecules. Specifically, our scheme assigns the atomic polarizabilities of any given molecule in such a way that its molecular polarizability tensor is well reproduced. We show that our scheme successfully works for various molecules in mimicking dipole responses not only in ground states but also in valence excited states. The electrostatic potential around a molecule with an externally perturbing nearby charge also exhibits a near-quantitative agreement with the reference data from quantum chemical calculations. The limitation of the model with isotropic atoms is also discussed to examine the scope of its applicability. Copyright © 2012 Wiley Periodicals, Inc.

  5. Charged pions polarizability measurement at COMPASS

    CERN Document Server

    Guskov, A

    2010-01-01

    The pion electromagnetic structure can be probed in $\\pi^{−}+(A,Z)\\rightarrow\\pi^{-}+(A,Z)+\\gamma$ Compton scattering in inverse kinematics (Primakoff reaction) and described by the electric $(\\alpha_{\\pi})$ and the magnetic $(\\beta_{\\pi})$ polarizabilities that depend on the rigidity of pion’s internal structure as a composite particle. Values for pion polarizabilities can be extracted from the comparison of the differential cross section for scattering of point-like pions with the measured cross section. The opportunity to measure pion polarizability via the Primakoff reaction at the COMPASS experiment was studied with $a$ $\\pi^{-}$ beam of 190 GeV during pilot run 2004. The obtained results were used for preparation of the new data taking which was performed in 2009.

  6. Polarizable Density Embedding Coupled Cluster Method

    DEFF Research Database (Denmark)

    Hršak, Dalibor; Olsen, Jógvan Magnus Haugaard; Kongsted, Jacob

    2018-01-01

    by an embedding potential consisting of a set of fragment densities obtained from calculations on isolated fragments with a quantum-chemistry method such as Hartree-Fock (HF) or Kohn-Sham density functional theory (KS-DFT) and dressed with a set of atom-centered anisotropic dipole-dipole polarizabilities......). In the PDE-CC method, the smaller, but chemically important core region is described with a high-level CC method. The environment surrounding the core region can be separated into two levels of description: an inner and an outer region. The effect of the inner region on the core region is described......We present the theory and implementation of the polarizable density embedding (PDE) model in combination with coupled cluster (CC) theory (PDE-CC). This model has been implemented in the Dalton quantum chemistry program by adapting the CC code to the polarizable embedding library (PElib...

  7. Fabricating off-diagonal components of frequency-dependent linear and nonlinear polarizabilities of doped quantum dots by Gaussian white noise

    Energy Technology Data Exchange (ETDEWEB)

    Saha, Surajit [Department of Chemistry, Bishnupur Ramananda College, Bishnupur, Bankura 722122, West Bengal (India); Ganguly, Jayanta [Department of Chemistry, Brahmankhanda Basapara High School, Basapara, Birbhum 731215, West Bengal (India); Ghosh, Manas, E-mail: pcmg77@rediffmail.com [Department of Chemistry, Physical Chemistry Section, Visva Bharati University, Santiniketan, Birbhum 731 235, West Bengal (India)

    2015-07-15

    We make a rigorous exploration of the profiles of off-diagonal components of frequency-dependent linear (α{sub xy}, α{sub yx}), first nonlinear (β{sub xyy}, β{sub yxx}), and second nonlinear (γ{sub xxyy}, γ{sub yyxx}) polarizabilities of quantum dots driven by Gaussian white noise. The quantum dot is doped with repulsive Gaussian impurity. Noise has been applied additively and multiplicatively to the system. An external oscillatory electric field has also been applied to the system. Gradual variations of external frequency, dopant location, and noise strength give rise to interesting features of polarizability components. The observations reveal intricate interplay between noise strength and dopant location which designs the polarizability profiles. Moreover, the mode of application of noise also modulates the polarizability components. Interestingly, in case of additive noise the noise strength has no role on polarizabilities whereas multiplicative noise invites greater delicacy in them. The said interplay provides a rather involved framework to attain stable, enhanced, and often maximized output of linear and nonlinear polarizabilities. - Highlights: • Linear and nonlinear polarizabilities of quantum dot are studied. • The polarizability components are off-diagonal and frequency-dependent. • Quantum dot is doped with a repulsive impurity. • Doped system is subject to Gaussian white noise. • Mode of noise application affects polarizabilities.

  8. A Fractionally Ionic Approach to Polarizability and van der Waals Many-Body Dispersion Calculations.

    Science.gov (United States)

    Gould, Tim; Lebègue, Sébastien; Ángyán, János G; Bučko, Tomáš

    2016-12-13

    By explicitly including fractionally ionic contributions to the polarizability of a many-component system, we are able to significantly improve on previous atom-wise many-body van der Waals approaches with essentially no extra numerical cost. For nonionic systems, our method is comparable in accuracy to existing approaches. However, it offers substantial improvements in ionic solids, e.g., producing better polarizabilities by over 65% in some cases. It has particular benefits for two-dimensional transition metal dichalcogenides and interactions of H 2 with modified coronenes, ionic systems of nanotechnological interest. It thus offers an efficient improvement on existing approaches, valid for a wide range of systems.

  9. Water Purification Systems

    Science.gov (United States)

    1994-01-01

    Clearwater Pool Technologies employs NASA-developed silver/copper ionization to purify turtle and dolphin tanks, cooling towers, spas, water recycling systems, etc. The pool purifier consists of a microcomputer to monitor water conditions, a pair of metallic electrodes, and a rheostat controller. Ions are generated by passing a low voltage current through the electrodes; the silver ions kill the bacteria, and the copper ions kill algae. This technology has found broad application because it offers an alternative to chemical disinfectants. It was originally developed to purify water on Apollo spacecraft. Caribbean Clear has been using NASA's silver ionization technology for water purification for more than a decade. Two new products incorporate advancements of the basic technology. One is the AquaKing, a system designed for areas with no source of acceptable drinking water. Another is the Caribbean Clear Controller, designed for commercial pool and water park applications where sanitizing is combined with feedback control of pH and an oxidizer, chlorine or bromine. The technology was originally developed to purify water on Apollo spacecraft.

  10. K$_{-}$ and K$_{-}$ polarizability from kaonic atoms

    CERN Document Server

    Backenstoss, Gerhard; Bergström, I; Bunaciu, T; Egger, J; Hagelberg, R; Hultberg, S; Koch, H; Lynen, Y; Ritter, H G; Schwitter, A; Tauscher, L

    1973-01-01

    The K/sup -/ mass was determined from kaonic atomic X-rays from Au and Ba to be 493.691+or-0.040 MeV. An upper limit for the polarizability of the K/sup -/ was found to be 0.020 fm/sup 3/ at 90% confidence. (18 refs).

  11. The axial polarizability of nucleons and nuclei

    International Nuclear Information System (INIS)

    Ericson, M.; Figureau, A.

    1981-02-01

    The part of the static nuclear axial polarizability arising from the nucleonic excitations is derived from the low energy expansion of the πN amplitude. It is shown that the contribution of the Δ intermediate state, though dominant, does not saturate the nucleonic response. A similar effect, though more pronounced, is known to occur for the magnetic susceptibility

  12. Free energy simulations with the AMOEBA polarizable force field and metadynamics on GPU platform.

    Science.gov (United States)

    Peng, Xiangda; Zhang, Yuebin; Chu, Huiying; Li, Guohui

    2016-03-05

    The free energy calculation library PLUMED has been incorporated into the OpenMM simulation toolkit, with the purpose to perform enhanced sampling MD simulations using the AMOEBA polarizable force field on GPU platform. Two examples, (I) the free energy profile of water pair separation (II) alanine dipeptide dihedral angle free energy surface in explicit solvent, are provided here to demonstrate the accuracy and efficiency of our implementation. The converged free energy profiles could be obtained within an affordable MD simulation time when the AMOEBA polarizable force field is employed. Moreover, the free energy surfaces estimated using the AMOEBA polarizable force field are in agreement with those calculated from experimental data and ab initio methods. Hence, the implementation in this work is reliable and would be utilized to study more complicated biological phenomena in both an accurate and efficient way. © 2015 Wiley Periodicals, Inc. © 2015 Wiley Periodicals, Inc.

  13. High-precision measurements and theoretical calculations of indium excited-state polarizabilities

    Science.gov (United States)

    Vilas, N. B.; Wang, B.-Y.; Rupasinghe, P. M.; Maser, D. L.; Safronova, M. S.; Safronova, U. I.; Majumder, P. K.

    2018-02-01

    We report measurements of the scalar and tensor static polarizabilities of the 115In7 p1 /2 and 7 p3 /2 excited states using two-step diode laser spectroscopy in an atomic beam. These scalar polarizabilities are one to two orders of magnitude larger than for lower-lying indium states due to the close proximity of the 7 p and 6 d states. For the scalar polarizabilities, we find values (in atomic units) of 1.811 (4 ) ×105a03 and 2.876 (6 ) ×105a03 for the 7 p1 /2 and 7 p3 /2 states, respectively. We determine the tensor polarizability component of the 7 p3 /2 state to be -1.43 (18 ) ×104a03 . These measurements set high-precision benchmarks of the transition properties for highly excited states in trivalent atomic systems. We also present ab initio calculations of these quantities and other In polarizabilities using two high-precision relativistic methods to make a global comparison of the accuracies of the two approaches. The precision of the experiment is sufficient to differentiate between the two theoretical methods as well as to allow precise determination of the indium 7 p -6 d matrix elements. The results obtained in this paper are applicable to other heavier and more complicated systems, and provide much needed guidance for the development of even more precise theoretical approaches.

  14. Water system virus detection

    Science.gov (United States)

    Fraser, A. S.; Wells, A. F.; Tenoso, H. J.

    1975-01-01

    A monitoring system developed to test the capability of a water recovery system to reject the passage of viruses into the recovered water is described. A nonpathogenic marker virus, bacteriophage F2, is fed into the process stream before the recovery unit and the reclaimed water is assayed for its presence. Detection of the marker virus consists of two major components, concentration and isolation of the marker virus, and detection of the marker virus. The concentration system involves adsorption of virus to cellulose acetate filters in the presence of trivalent cations and low pH with subsequent desorption of the virus using volumes of high pH buffer. The detection of the virus is performed by a passive immune agglutination test utilizing specially prepared polystyrene particles. An engineering preliminary design was performed as a parallel effort to the laboratory development of the marker virus test system. Engineering schematics and drawings of a fully functional laboratory prototype capable of zero-G operation are presented. The instrument consists of reagent pump/metering system, reagent storage containers, a filter concentrator, an incubation/detector system, and an electronic readout and control system.

  15. Open-ended response theory with polarizable embedding

    DEFF Research Database (Denmark)

    Steindal, Arnfinn Hykkerud; Beerepoot, Maarten T P; Ringholm, Magnus

    2016-01-01

    We present the theory and implementation of an open-ended framework for electric response properties at the level of Hartree-Fock and Kohn-Sham density functional theory that includes effects from the molecular environment modeled by the polarizable embedding (PE) model. With this new state......) properties can be studied by evaluating single residues of the response functions. The PE approach includes mutual polarization effects between the quantum and classical parts of the system through induced dipoles that are determined self-consistently with respect to the electronic density. The applicability...

  16. Geometry Optimization in Polarizable QM/MM Models: The Induced Dipole Formulation.

    Science.gov (United States)

    Caprasecca, Stefano; Jurinovich, Sandro; Viani, Lucas; Curutchet, Carles; Mennucci, Benedetta

    2014-04-08

    We present the mathematical derivation and the computational implementation of the analytical geometry derivatives for a polarizable QM/MM model (QM/MMPol). In the adopted QM/MMPol model, the focused part is treated at QM level of theory, while the remaining part (the environment) is described classically as a set of fixed charges and induced dipoles. The implementation is performed within the ONIOM procedure, resulting in a polarizable embedding scheme, which can be applied to solvated and embedded systems and combined with different polarizable force fields available in the literature. Two test cases characterized by strong hydrogen-bond and dipole-dipole interactions, respectively, are used to validate the method with respect to the nonpolarizable one. Finally, an application to geometry optimization of the chromophore of Rhodopsin is presented to investigate the impact of including mutual polarization between the QM and the classical parts in conjugated systems.

  17. The Dynamic Electric Polarizability of a Particle Bound by a Double Delta Potential

    Science.gov (United States)

    Maize, M. A.; Smetanka, J. J.

    2008-01-01

    In this paper we derive an expression for the dynamic electric polarizability of a particle bound by a double delta potential for frequencies below and above the absolute value of the particle's ground state energy. The derived expression will be used to study some of the fundamental features of the system and its representation of real systems.…

  18. Polarizabilities of the beryllium clock transition

    International Nuclear Information System (INIS)

    Mitroy, J.

    2010-01-01

    The polarizabilities of the three lowest states of the beryllium atom are determined from a large basis configuration interaction calculation. The polarizabilities of the 2s 2 1 S e ground state (37.73a 0 3 ) and the 2s2p 3 P 0 o metastable state (39.04a 0 3 ) are found to be very similar in size and magnitude. This leads to an anomalously small blackbody radiation shift at 300 K of -0.018(4) Hz for the 2s 2 1 S e -2s2p 3 P 0 o clock transition. Magic wavelengths for simultaneous trapping of the ground and metastable states are also computed.

  19. Axial polarizability and weak currents in nuclei

    International Nuclear Information System (INIS)

    Ericson, M.

    1977-01-01

    The weak interaction nucleonic coupling constants in nuclei are modified by the presence of the neighbouring nucleons. One type of modification is due to the virtual excitation of the isobars through meson exchange. The influence of the isobars is described by means of the nuclear axial polarizability coefficient. This polarizability is known; it is linked to the p-wave πN scattering volume. A relation is derived between the axial nuclear current and the pion field which incorporates the polarizability effects. This relation has an electromagnetic analogue. It is then possible to derive the axial and pseudoscalar coupling constants from a knowledge of the pion field. This field in turn obeys a Klein-Gordon equation which has to include the isobaric excitations. The propagation of the pion field is similar to that of an electromagnetic wave in a dielectric medium. The strong interaction coupling constant is shown to be renormalized in nuclei by the effect of the various types of correlations. (author)

  20. Statistical field theory description of inhomogeneous polarizable soft matter.

    Science.gov (United States)

    Martin, Jonathan M; Li, Wei; Delaney, Kris T; Fredrickson, Glenn H

    2016-10-21

    We present a new molecularly informed statistical field theory model of inhomogeneous polarizable soft matter. The model is based on fluid elements, referred to as beads, that can carry a net monopole of charge at their center of mass and a fixed or induced dipole through a Drude-type distributed charge approach. The beads are thus polarizable and naturally manifest attractive van der Waals interactions. Beyond electrostatic interactions, beads can be given soft repulsions to sustain fluid phases at arbitrary densities. Beads of different types can be mixed or linked into polymers with arbitrary chain models and sequences of charged and uncharged beads. By such an approach, it is possible to construct models suitable for describing a vast range of soft-matter systems including electrolyte and polyelectrolyte solutions, ionic liquids, polymerized ionic liquids, polymer blends, ionomers, and block copolymers, among others. These bead models can be constructed in virtually any ensemble and converted to complex-valued statistical field theories by Hubbard-Stratonovich transforms. One of the fields entering the resulting theories is a fluctuating electrostatic potential; other fields are necessary to decouple non-electrostatic interactions. We elucidate the structure of these field theories, their consistency with macroscopic electrostatic theory in the absence and presence of external electric fields, and the way in which they embed van der Waals interactions and non-uniform dielectric properties. Their suitability as a framework for computational studies of heterogeneous soft matter systems using field-theoretic simulation techniques is discussed.

  1. Public Water Supply Systems (PWS)

    Data.gov (United States)

    Kansas Data Access and Support Center — This dataset includes boundaries for most public water supply systems (PWS) in Kansas (525 municipalities, 289 rural water districts and 13 public wholesale water...

  2. Computational Approach for Studying Optical Properties of DNA Systems in Solution

    DEFF Research Database (Denmark)

    Nørby, Morten Steen; Svendsen, Casper Steinmann; Olsen, Jógvan Magnus Haugaard

    2016-01-01

    In this paper we present a study of the methodological aspects regarding calculations of optical properties for DNA systems in solution. Our computational approach will be built upon a fully polarizable QM/MM/Continuum model within a damped linear response theory framework. In this approach....... We show that inclusion of polarizabilities in the embedding potential stemming from the DNA double helix is of crucial importance, while the water cluster surrounding the DNA system is well represented using a continuum approach....

  3. A quantum-mechanical perspective on linear response theory within polarizable embedding

    DEFF Research Database (Denmark)

    List, Nanna Holmgaard; Norman, Patrick; Kongsted, Jacob

    2017-01-01

    We present a derivation of linear response theory within polarizable embedding starting from a rigorous quantum-mechanical treatment of a composite system. To this aim, two different subsystem decompositions (symmetric and nonsymmetric) of the linear response function are introduced and the pole...

  4. Analytical gradients for MP2, double hybrid functionals, and TD‐DFT with polarizable embedding described by fluctuating charges

    Science.gov (United States)

    Carnimeo, Ivan; Cappelli, Chiara

    2015-01-01

    A polarizable quantum mechanics (QM)/ molecular mechanics (MM) approach recently developed for Hartree–Fock (HF) and Kohn–Sham (KS) methods has been extended to energies and analytical gradients for MP2, double hybrid functionals, and TD‐DFT models, thus allowing the computation of equilibrium structures for excited electronic states together with more accurate results for ground electronic states. After a detailed presentation of the theoretical background and of some implementation details, a number of test cases are analyzed to show that the polarizable embedding model based on fluctuating charges (FQ) is remarkably more accurate than the corresponding electronic embedding based on a fixed charge (FX) description. In particular, a set of electronegativities and hardnesses has been optimized for interactions between QM and FQ regions together with new repulsion–dispersion parameters. After validation of both the numerical implementation and of the new parameters, absorption electronic spectra have been computed for representative model systems including vibronic effects. The results show remarkable agreement with full QM computations and significant improvement with respect to the corresponding FX results. The last part of the article provides some hints about computation of solvatochromic effects on absorption spectra in aqueous solution as a function of the number of FQ water molecules and on the use of FX external shells to improve the convergence of the results. © 2015 The Authors. Journal of Computational Chemistry Published by Wiley Periodicals, Inc. PMID:26399473

  5. Drude polarizable force field for aliphatic ketones and aldehydes, and their associated acyclic carbohydrates

    Science.gov (United States)

    Small, Meagan C.; Aytenfisu, Asaminew H.; Lin, Fang-Yu; He, Xibing; MacKerell, Alexander D.

    2017-04-01

    The majority of computer simulations exploring biomolecular function employ Class I additive force fields (FF), which do not treat polarization explicitly. Accordingly, much effort has been made into developing models that go beyond the additive approximation. Development and optimization of the Drude polarizable FF has yielded parameters for selected lipids, proteins, DNA and a limited number of carbohydrates. The work presented here details parametrization of aliphatic aldehydes and ketones (viz. acetaldehyde, propionaldehyde, butaryaldehyde, isobutaryaldehyde, acetone, and butanone) as well as their associated acyclic sugars ( d-allose and d-psicose). LJ parameters are optimized targeting experimental heats of vaporization and molecular volumes, while the electrostatic parameters are optimized targeting QM water interactions, dipole moments, and molecular polarizabilities. Bonded parameters are targeted to both QM and crystal survey values, with the models for ketones and aldehydes shown to be in good agreement with QM and experimental target data. The reported heats of vaporization and molecular volumes represent a compromise between the studied model compounds. Simulations of the model compounds show an increase in the magnitude and the fluctuations of the dipole moments in moving from gas phase to condensed phases, which is a phenomenon that the additive FF is intrinsically unable to reproduce. The result is a polarizable model for aliphatic ketones and aldehydes including the acyclic sugars d-allose and d-psicose, thereby extending the available biomolecules in the Drude polarizable FF.

  6. Pion polarizability in nonlocal quark model

    International Nuclear Information System (INIS)

    Efimov, G.V.; Okhlopkova, V.A.

    1978-01-01

    The γγ→ππ amplitude was calculated in nonlocal quark model in the fourth order on the perturbation theory. The coefficients of electric[a) and magnetic polarizability (β) determined are equal in magnitude and opposite in sign αsub(π+-)=βsub(π+-)=+0.014α/msub(π)sup(3), αsub(πsup(0))=-βsub(πsup(0))=-0.07α/msub(π)sup(3). The results have been compared with calculations in other models

  7. Radiation damping of a polarizable particle

    Science.gov (United States)

    Novotny, Lukas

    2017-09-01

    A polarizable body moving in an external electromagnetic field will slow down. This effect is referred to as radiation damping and is analogous to Doppler cooling in atomic physics. Using the principles of special relativity we derive an expression for the radiation damping force and find that it solely depends on the scattered power. The cooling of the particle's center-of-mass motion is balanced by heating due to radiation pressure shot noise, giving rise to an equilibrium that depends on the ratio of the field's frequency and the particle's mass. While damping is of relativistic nature, heating has its roots in quantum mechanics.

  8. Radiative corrections for pion polarizability experiments

    International Nuclear Information System (INIS)

    Akhundov, A.A.; Gerzon, S.; Kananov, S.; Moinester, M.A.

    1994-08-01

    We use the semi-analytical program RCFORGV to evaluate radiative corrections to one-photon radiative emission in the high-energy scattering of pions in the Coulomb field of a nucleus with atomic number Z. It is shown that radiative corrections can simulate a pion polarizability effect. The average effect is α rc π =-β rc π =(0.20±0.05) x 10 -43 cm 3 , for pion energies 40-600 GeV. We also study the range of applicability of the equivalent photon approximation in describing one-photon radiative emission. (author). 21 refs, 6 figs, 1 tab

  9. Relativistic corrections to molecular dynamic dipole polarizabilities

    DEFF Research Database (Denmark)

    Kirpekar, Sheela; Oddershede, Jens; Jensen, Hans Jørgen Aagaard

    1995-01-01

    in the correlated calculations, as has also been observed for other properties. For SnH4 the correlation contribution and the pure relativistic correction are of the same order of magnitude, whereas for PbH 4 the relativistic correction becomes more important than the correlation contribution. We report estimated...... Cauchy moments, obtained from fitting the dispersion of the calculated corrections as a function of ω2. The frequency dependence of the nonrelativistic polarizability is most pronounced at the correlated level, mainly due to lower excitation energies in the multiconfigurational calculations than those...

  10. The polarizable embedding coupled cluster method

    DEFF Research Database (Denmark)

    Sneskov, Kristian; Schwabe, Tobias; Kongsted, Jacob

    2011-01-01

    We formulate a new combined quantum mechanics/molecular mechanics (QM/MM) method based on a self-consistent polarizable embedding (PE) scheme. For the description of the QM region, we apply the popular coupled cluster (CC) method detailing the inclusion of electrostatic and polarization effects......-called PE-CCSDR(3) model. Finally, we utilize the presented method in the description of a full protein by investigating the shift of the intense electronic excitation energy of the photoactive yellow protein due to the surrounding amino acids....

  11. Nuclear magnetic resonance J coupling constant polarizabilities of hydrogen peroxide

    DEFF Research Database (Denmark)

    Kjær, Hanna; Nielsen, Monia R.; Pagola, Gabriel I.

    2012-01-01

    In this paper we present the so far most extended investigation of the calculation of the coupling constant polarizability of a molecule. The components of the coupling constant polarizability are derivatives of the NMR indirect nuclear spin-spin coupling constant with respect to an external elec...

  12. An averaged polarizable potential for multiscale modeling in phospholipid membranes

    DEFF Research Database (Denmark)

    Witzke, Sarah; List, Nanna Holmgaard; Olsen, Jógvan Magnus Haugaard

    2017-01-01

    is underlined for the description of larger assemblies of lipids, that is, membranes. In conclusion, we find that specially developed polarizable parameters are needed for embedding calculations in membranes, while common non-polarizable point-charge force fields usually perform well enough for structural...

  13. Optical basicity and electronic polarizability of zinc borotellurite glass doped La3+ ions

    Directory of Open Access Journals (Sweden)

    M.K. Halimah

    Full Text Available Zinc borotellurite glasses doped with lanthanum oxide were successfully prepared through melt-quenching technique. The amorphous nature of the glass system was validated by the presence of a broad hump in the XRD result. The refractive index of the prepared glass samples was calculated by using the equation proposed by Dimitrov and Sakka. The theoretical value of molar refraction, electronic polarizability, oxide ion polarizability and metallization criterion were calculated by using Lorentz-Lorenz equation. Meanwhile, expression proposed by Duffy and Ingram for the theoretical value of optical basicity of multi-component glasses were applied to obtain energy band gap based optical basicity and refractive index based optical basicity. The optical basicity of prepared glasses decreased with the increasing concentration of lanthanum oxide. Metallization criterion on the basis of refractive index showed an increasing trend while energy band gap based metallization criterion showed a decreasing trend. The small metallization criterion values of the glass samples represent that the width of the conduction band becomes larger which increase the tendency for metallization of the glasses. The results obtained indicates that the fabricated glasses have high potential to be applied on optical limiting devices in photonic field. Keywords: Borotellurite glasses, Refractive index, Electronic polarizability, Oxide ion polarizability, Optical basicity, Metallization criterion

  14. Model-independent effects of Δ excitation in nucleon polarizabilities

    International Nuclear Information System (INIS)

    Pascalutsa, Vladimir; Phillips, Daniel R.

    2003-01-01

    Model-independent effects of Δ(1232) excitation on nucleon polarizabilities are computed in a Lorentz-invariant fashion. We find a large effect of relative order (M Δ -M)/M in some of the spin polarizabilities, with the backward spin polarizability receiving the largest contribution. Similar subleading effects are found to be important in the fourth-order spin-independent polarizabilities α Eν , α E2 , β Mν , and β M2 . Combining our results with those for the model-independent effects of pion loops we obtain predictions for spin and fourth-order polarizabilities which compare favorably with the results of a recent dispersion-relation analysis of data

  15. Systems Measures of Water Distribution System Resilience

    Energy Technology Data Exchange (ETDEWEB)

    Klise, Katherine A. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Murray, Regan [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Walker, La Tonya Nicole [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2015-01-01

    Resilience is a concept that is being used increasingly to refer to the capacity of infrastructure systems to be prepared for and able to respond effectively and rapidly to hazardous events. In Section 2 of this report, drinking water hazards, resilience literature, and available resilience tools are presented. Broader definitions, attributes and methods for measuring resilience are presented in Section 3. In Section 4, quantitative systems performance measures for water distribution systems are presented. Finally, in Section 5, the performance measures and their relevance to measuring the resilience of water systems to hazards is discussed along with needed improvements to water distribution system modeling tools.

  16. Automated Water-Purification System

    Science.gov (United States)

    Ahlstrom, Harlow G.; Hames, Peter S.; Menninger, Fredrick J.

    1988-01-01

    Reverse-osmosis system operates and maintains itself with minimal human attention, using programmable controller. In purifier, membranes surround hollow cores through which clean product water flows out of reverse-osmosis unit. No chemical reactions or phase changes involved. Reject water, in which dissolved solids concentrated, emerges from outer membrane material on same side water entered. Flow controls maintain ratio of 50 percent product water and 50 percent reject water. Membranes expected to last from 3 to 15 years.

  17. Creating Sustainable Urban Water Systems

    OpenAIRE

    Bell, S. J.

    2013-01-01

    Managing urban water infrastructure is conventionally the professional domain of engineers. As urban water systems are placed under increasing pressure due to population growth, rapid urbanisation and climate change, the provision of water and sanitation services to cities has become a wicked problem. As such it cannot be adequately addressed by engineers alone, and requires greater attention from urban designers and planners. The move to sustainable urban water systems will involve greater a...

  18. Coupled influence of noise and damped propagation of impurity on linear and nonlinear polarizabilities of doped quantum dots

    Energy Technology Data Exchange (ETDEWEB)

    Ganguly, Jayanta [Department of Chemistry, Brahmankhanda Basapara High School, Basapara, Birbhum 731 215, West Bengal (India); Ghosh, Manas, E-mail: pcmg77@rediffmail.com [Department of Chemistry, Physical Chemistry Section, Visva Bharati University, Santiniketan, Birbhum 731 235, West Bengal (India)

    2015-02-02

    Highlights: • Linear and nonlinear polarizabilities of quantum dot are studied. • Quantum dot is doped with a repulsive impurity. • Doped system is subject to Gaussian white noise. • Dopant migrates under damped condition. • Noise-damping coupling affects polarizabilities. - Abstract: We investigate the profiles of diagonal components of static and frequency-dependent linear, first, and second nonlinear polarizabilities of repulsive impurity doped quantum dot. We have considered propagation of dopant within an environment that damps the motion. Simultaneous presence of noise inherent to the system has also been considered. The dopant has a Gaussian potential and noise considered is a Gaussian white noise. The doped system is exposed to an external electric field which could be static or time-dependent. Noise undergoes direct coupling with damping and the noise-damping coupling strength appears to be a crucial parameter that designs the profiles of polarizability components. This happens because the coupling strength modulates the dispersive and asymmetric character of the system. The frequency of external field brings about additional features in the profiles of polarizability components. The present investigation highlights some useful features in the optical properties of doped quantum dots.

  19. On the theory of electric double layer with explicit account of a polarizable co-solvent

    International Nuclear Information System (INIS)

    Budkov, Yu. A.; Kolesnikov, A. L.; Kiselev, M. G.

    2016-01-01

    We present a continuation of our theoretical research into the influence of co-solvent polarizability on a differential capacitance of the electric double layer. We formulate a modified Poisson-Boltzmann theory, using the formalism of density functional approach on the level of local density approximation taking into account the electrostatic interactions of ions and co-solvent molecules as well as their excluded volume. We derive the modified Poisson-Boltzmann equation, considering the three-component symmetric lattice gas model as a reference system and minimizing the grand thermodynamic potential with respect to the electrostatic potential. We apply present modified Poisson-Boltzmann equation to the electric double layer theory, showing that accounting for the excluded volume of co-solvent molecules and ions slightly changes the main result of our previous simplified theory. Namely, in the case of small co-solvent polarizability with its increase under the enough small surface potentials of electrode, the differential capacitance undergoes the significant growth. Oppositely, when the surface potential exceeds some threshold value (which is slightly smaller than the saturation potential), the increase in the co-solvent polarizability results in a differential capacitance decrease. However, when the co-solvent polarizability exceeds some threshold value, its increase generates a considerable enhancement of the differential capacitance in a wide range of surface potentials. We demonstrate that two qualitatively different behaviors of the differential capacitance are related to the depletion and adsorption of co-solvent molecules at the charged electrode. We show that an additive of the strongly polarizable co-solvent to an electrolyte solution can shift significantly the saturation potential in two qualitatively different manners. Namely, a small additive of strongly polarizable co-solvent results in a shift of saturation potential to higher surface potentials. On

  20. On the theory of electric double layer with explicit account of a polarizable co-solvent.

    Science.gov (United States)

    Budkov, Yu A; Kolesnikov, A L; Kiselev, M G

    2016-05-14

    We present a continuation of our theoretical research into the influence of co-solvent polarizability on a differential capacitance of the electric double layer. We formulate a modified Poisson-Boltzmann theory, using the formalism of density functional approach on the level of local density approximation taking into account the electrostatic interactions of ions and co-solvent molecules as well as their excluded volume. We derive the modified Poisson-Boltzmann equation, considering the three-component symmetric lattice gas model as a reference system and minimizing the grand thermodynamic potential with respect to the electrostatic potential. We apply present modified Poisson-Boltzmann equation to the electric double layer theory, showing that accounting for the excluded volume of co-solvent molecules and ions slightly changes the main result of our previous simplified theory. Namely, in the case of small co-solvent polarizability with its increase under the enough small surface potentials of electrode, the differential capacitance undergoes the significant growth. Oppositely, when the surface potential exceeds some threshold value (which is slightly smaller than the saturation potential), the increase in the co-solvent polarizability results in a differential capacitance decrease. However, when the co-solvent polarizability exceeds some threshold value, its increase generates a considerable enhancement of the differential capacitance in a wide range of surface potentials. We demonstrate that two qualitatively different behaviors of the differential capacitance are related to the depletion and adsorption of co-solvent molecules at the charged electrode. We show that an additive of the strongly polarizable co-solvent to an electrolyte solution can shift significantly the saturation potential in two qualitatively different manners. Namely, a small additive of strongly polarizable co-solvent results in a shift of saturation potential to higher surface potentials. On

  1. Density and polarizability of liquid 4He

    International Nuclear Information System (INIS)

    Kempin'ski, V.; Zhuk, T.; Stankovski, Ya.; Sitarzh, S.

    1988-01-01

    The temperature changes in the density of liquid helium are measured in the temperature range of 1.63 to 4.2 K.; Unlike the conventional pycnometric technique, the changes in the hydrostatic displacement of the liquid were determined. The cirrectness of the method chosen and the appropriate equipment for its realization are substantiated. The results obtained are in good agreement with those of other authors. On the basis of temperature measurements of the dependence of density ρ and permittivity ε, the dependence of polarizability A of liquid 4 He on temperature and density was calculated. The results obtained show an alternating character of the dependences A(T) and A(ρ). These dependences are found to correlate

  2. Electronic Energy Transfer in Polarizable Heterogeneous Environments

    DEFF Research Database (Denmark)

    Svendsen, Casper Steinmann; Kongsted, Jacob

    2015-01-01

    such couplings provide important insight into the strength of interaction between photo-active pigments in protein-pigment complexes. Recently, attention has been payed to how the environment modifies or even controls the electronic couplings. To enable such theoretical predictions, a fully polarizable embedding......-order multipole moments. We use this extended model to systematically examine three different ways of obtaining EET couplings in a heterogeneous medium ranging from use of the exact transition density to a point-dipole approximation. Several interesting observations are made including that explicit use...... of transition densities in the calculation of the electronic couplings - also when including the explicit environment contribution - can be replaced by a much simpler transition point charge description without comprising the quality of the model predictions....

  3. Water Hydraulic Systems

    DEFF Research Database (Denmark)

    Conrad, Finn

    2005-01-01

    The paper presents research results using IT-Tools for CAD and dynamic modelling, simulation, analysis, and design of water hydraulic actuators for motion control of machines, lifts, cranes and robots. Matlab/Simulink and CATIA are used as IT-Tools. The contributions include results from on......-going research projects on fluid power and mechatronics based on tap water hydraulic servovalves and linear servo actuators and rotary vane actuators for motion control and power transmission. Development and design a novel water hydraulic rotary vane actuator for robot manipulators. Proposed mathematical...... modelling, control and simulation of a water hydraulic rotary vane actuator applied to power and control a two-links manipulator and evaluate performance. The results include engineering design and test of the proposed simulation models compared with IHA Tampere University’s presentation of research...

  4. Water Treatment Technology - Distribution Systems.

    Science.gov (United States)

    Ross-Harrington, Melinda; Kincaid, G. David

    One of twelve water treatment technology units, this student manual on distribution systems provides instructional materials for six competencies. (The twelve units are designed for a continuing education training course for public water supply operators.) The competencies focus on the following areas: types of pipe for distribution systems, types…

  5. Operational Management System for Regulated Water Systems

    Science.gov (United States)

    van Loenen, A.; van Dijk, M.; van Verseveld, W.; Berger, H.

    2012-04-01

    Most of the Dutch large rivers, canals and lakes are controlled by the Dutch water authorities. The main reasons concern safety, navigation and fresh water supply. Historically the separate water bodies have been controlled locally. For optimizating management of these water systems an integrated approach was required. Presented is a platform which integrates data from all control objects for monitoring and control purposes. The Operational Management System for Regulated Water Systems (IWP) is an implementation of Delft-FEWS which supports operational control of water systems and actively gives advice. One of the main characteristics of IWP is that is real-time collects, transforms and presents different types of data, which all add to the operational water management. Next to that, hydrodynamic models and intelligent decision support tools are added to support the water managers during their daily control activities. An important advantage of IWP is that it uses the Delft-FEWS framework, therefore processes like central data collection, transformations, data processing and presentation are simply configured. At all control locations the same information is readily available. The operational water management itself gains from this information, but it can also contribute to cost efficiency (no unnecessary pumping), better use of available storage and advise during (water polution) calamities.

  6. Pressurized water reactor systems

    International Nuclear Information System (INIS)

    Meyer, P.J.

    1975-01-01

    Design and mode of operation of the main PWR components are described: reactor core, pressure vessel and internals, cooling systems with pumps and steam generators, ancillary systems, and waste processing. (TK) [de

  7. State and National Water Fluoridation System (Public Water Systems)

    Data.gov (United States)

    U.S. Department of Health & Human Services — The Water Fluoridation Reporting System (WFRS) has been developed to provide tools to assist states in managing fluoridation programs. WFRS is designed to track all...

  8. Polarizabilities and hyperpolarizabilities of the alkali metal atoms

    Energy Technology Data Exchange (ETDEWEB)

    Fuentealba, P. (Chile Univ., Santiago (Chile). Departamento de Fisica and Centro de Mecanica Cuantica Aplicada (CMCA)); Reyes, O. (Chile Univ., Santiago (Chile). Dept. de Fisica)

    1993-08-14

    The electric static dipole polarizability [alpha], quadrupole polarizability C, dipole-quadrupole polarizability B, and the second dipole hyperpolarizability [gamma] have been calculated for the alkali metal atoms in the ground state. The results are based on a pseudopotential which is able to incorporate the very important core-valence correlation effect through a core polarization potential, and, in an empirical way, the main relativistic effects. The calculated properties compare very well with more elaborated calculations for the Li atom, excepting the second hyperpolarizability [gamma]. For the other atoms, there is neither theoretical nor experimental information about most of the higher polarizabilities. Hence, the results of this paper should be seen as a first attempt to give a complete account of the series expansion of the interaction energy of an alkali metal atom and a static electric field. (author).

  9. Influence of Gaussian white noise on the frequency-dependent first nonlinear polarizability of doped quantum dot

    Energy Technology Data Exchange (ETDEWEB)

    Ganguly, Jayanta [Department of Chemistry, Brahmankhanda Basapara High School, Basapara, Birbhum 731215, West Bengal (India); Ghosh, Manas, E-mail: pcmg77@rediffmail.com [Department of Chemistry, Physical Chemistry Section, Visva Bharati University, Santiniketan, Birbhum 731 235, West Bengal (India)

    2014-05-07

    We investigate the profiles of diagonal components of frequency-dependent first nonlinear (β{sub xxx} and β{sub yyy}) optical response of repulsive impurity doped quantum dots. We have assumed a Gaussian function to represent the dopant impurity potential. This study primarily addresses the role of noise on the polarizability components. We have invoked Gaussian white noise consisting of additive and multiplicative characteristics (in Stratonovich sense). The doped system has been subjected to an oscillating electric field of given intensity, and the frequency-dependent first nonlinear polarizabilities are computed. The noise characteristics are manifested in an interesting way in the nonlinear polarizability components. In case of additive noise, the noise strength remains practically ineffective in influencing the optical responses. The situation completely changes with the replacement of additive noise by its multiplicative analog. The replacement enhances the nonlinear optical response dramatically and also causes their maximization at some typical value of noise strength that depends on oscillation frequency.

  10. Dynamic polarizabilities for the low lying states of Ca+

    International Nuclear Information System (INIS)

    Tang, Yong-Bo; Shi, Ting-Yun; Qiao, Hao-Xue; Mitroy, J

    2014-01-01

    The dynamic polarizabilities of the 4s, 3d and 4p states of Ca + are calculated using a relativistic structure model. The wavelengths at which the Stark shifts between different pairs of transitions are zero are calculated. Experimental determination of the magic wavelengths could prove useful in developing better atomic structure models and in particular lead to improved values of the polarizabilities for the Ca + (3d) states

  11. Waste water heat recovery system

    OpenAIRE

    Markovi?, G.; Vranayov?, Z.; K?posztasov?, D.

    2016-01-01

    After heating and cooling, water heating is typically the second largest user of energy in the home. There are a lot of purposes and uses of hot water in buildings - showers, tubs, sinks, dishwashers and clothes washers etc. In most cases, these hot waste waters are discarded direct to sewer system. When we take into the account all of these purposes in every households, the wastewater retains a considerable portion of its initial energy ? energy that could be recovered and use...

  12. Development of waste water reuse water system for power plants

    Energy Technology Data Exchange (ETDEWEB)

    Park, K.K.; Kim, D.H.; Weon, D.Y.; Yoon, S.W.; Song, H.R. [Korea Electric Power Research Institute, Taejeon (Korea, Republic of)

    1997-12-31

    1. Status of waste water discharge at power plants 2. Present status of waste water reuse at power plants 3. Scheme of waste water reuse at power plants 4. Standardization of optimum system for waste water reuse at power plants 5. Establishment of low cost zero discharge system for waste water 6. Waste water treatment technology of chemical cleaning. (author). 132 figs., 72 tabs.

  13. Polarizable embedding with a multiconfiguration short-range density functional theory linear response method

    International Nuclear Information System (INIS)

    Hedegård, Erik Donovan; Olsen, Jógvan Magnus Haugaard; Knecht, Stefan; Kongsted, Jacob; Jensen, Hans Jørgen Aagaard

    2015-01-01

    We present here the coupling of a polarizable embedding (PE) model to the recently developed multiconfiguration short-range density functional theory method (MC-srDFT), which can treat multiconfigurational systems with a simultaneous account for dynamical and static correlation effects. PE-MC-srDFT is designed to combine efficient treatment of complicated electronic structures with inclusion of effects from the surrounding environment. The environmental effects encompass classical electrostatic interactions as well as polarization of both the quantum region and the environment. Using response theory, molecular properties such as excitation energies and oscillator strengths can be obtained. The PE-MC-srDFT method and the additional terms required for linear response have been implemented in a development version of DALTON. To benchmark the PE-MC-srDFT approach against the literature data, we have investigated the low-lying electronic excitations of acetone and uracil, both immersed in water solution. The PE-MC-srDFT results are consistent and accurate, both in terms of the calculated solvent shift and, unlike regular PE-MCSCF, also with respect to the individual absolute excitation energies. To demonstrate the capabilities of PE-MC-srDFT, we also investigated the retinylidene Schiff base chromophore embedded in the channelrhodopsin protein. While using a much more compact reference wave function in terms of active space, our PE-MC-srDFT approach yields excitation energies comparable in quality to CASSCF/CASPT2 benchmarks

  14. Polarizable embedding with a multiconfiguration short-range density functional theory linear response method

    Science.gov (United States)

    Hedegârd, Erik Donovan; Olsen, Jógvan Magnus Haugaard; Knecht, Stefan; Kongsted, Jacob; Jensen, Hans Jørgen Aagaard

    2015-03-01

    We present here the coupling of a polarizable embedding (PE) model to the recently developed multiconfiguration short-range density functional theory method (MC-srDFT), which can treat multiconfigurational systems with a simultaneous account for dynamical and static correlation effects. PE-MC-srDFT is designed to combine efficient treatment of complicated electronic structures with inclusion of effects from the surrounding environment. The environmental effects encompass classical electrostatic interactions as well as polarization of both the quantum region and the environment. Using response theory, molecular properties such as excitation energies and oscillator strengths can be obtained. The PE-MC-srDFT method and the additional terms required for linear response have been implemented in a development version of Dalton. To benchmark the PE-MC-srDFT approach against the literature data, we have investigated the low-lying electronic excitations of acetone and uracil, both immersed in water solution. The PE-MC-srDFT results are consistent and accurate, both in terms of the calculated solvent shift and, unlike regular PE-MCSCF, also with respect to the individual absolute excitation energies. To demonstrate the capabilities of PE-MC-srDFT, we also investigated the retinylidene Schiff base chromophore embedded in the channelrhodopsin protein. While using a much more compact reference wave function in terms of active space, our PE-MC-srDFT approach yields excitation energies comparable in quality to CASSCF/CASPT2 benchmarks.

  15. Reverse osmosis water purification system

    Science.gov (United States)

    Ahlstrom, H. G.; Hames, P. S.; Menninger, F. J.

    1986-01-01

    A reverse osmosis water purification system, which uses a programmable controller (PC) as the control system, was designed and built to maintain the cleanliness and level of water for various systems of a 64-m antenna. The installation operates with other equipment of the antenna at the Goldstone Deep Space Communication Complex. The reverse osmosis system was designed to be fully automatic; with the PC, many complex sequential and timed logic networks were easily implemented and are modified. The PC monitors water levels, pressures, flows, control panel requests, and set points on analog meters; with this information various processes are initiated, monitored, modified, halted, or eliminated as required by the equipment being supplied pure water.

  16. Drinking Water Fact Sheet: Drinking Water Treatment Systems

    OpenAIRE

    Mesner, Nancy; Daniels, Barbara

    2010-01-01

    This fact sheet provides information about drinking water treatment systems. This fact sheet discusses different types of water treatment systems available to homeowners. It includes a table with water contaminants or problems, possible causes of the problem, and solutions.

  17. Event horizons in the Polarizable Vacuum Model

    CERN Document Server

    Desiato, J T

    2003-01-01

    The Polarizable Vacuum (PV) Model representation of General Relativity (GR) is used to show that an in-falling particle of matter will reach the central mass object in a finite amount of proper time, as measured along the world line of the particle, when using the PV Metric. It is shown that the in-falling particle passes through an event horizon, analogous to that found in the Schwarzschild solution of GR. Once it passes through this horizon, any light signal emitted outward by the in-falling particle will be moving slower than the in-falling particle, due to the reduced speed of light in this region. Therefore the signal can never escape this horizon. However, the light emitted by a stationary object below the horizon is exponentially red-shifted and can escape along the null geodesics, as was originally predicted by the PV Model. A static, non-rotating charge distribution is added to the central mass and the PV equivalent to the Reissner-Nordstrom metric is derived. It is illustrated that the dipole moment...

  18. Drinking-water monitoring systems

    International Nuclear Information System (INIS)

    1994-01-01

    A new measuring system was developed by the Austrian Research Centre Seibersdorf for monitoring the quality of drinking-water. It is based on the experience made with the installation of UWEDAT (registered trademark) environmental monitoring networks in several Austrian provinces and regions. The standard version of the drinking-water monitoring system comprises sensors for measuring chemical parameters in water, radioactivity in water and air, and meteorological values of the environment. Further measuring gauges, e.g. for air pollutants, can be connected at any time, according to customers' requirements. For integration into regional and supraregional networks, station computers take over the following tasks: Collection of data and status signals transmitted by the subsystem, object protection, intermediate storage and communication of data to the host or several subcentres via Datex-P postal service, permanent lines or radiotransmission

  19. Portable water quality monitoring system

    Science.gov (United States)

    Nizar, N. B.; Ong, N. R.; Aziz, M. H. A.; Alcain, J. B.; Haimi, W. M. W. N.; Sauli, Z.

    2017-09-01

    Portable water quality monitoring system was a developed system that tested varied samples of water by using different sensors and provided the specific readings to the user via short message service (SMS) based on the conditions of the water itself. In this water quality monitoring system, the processing part was based on a microcontroller instead of Lead and Copper Rule (LCR) machines to receive the results. By using four main sensors, this system obtained the readings based on the detection of the sensors, respectively. Therefore, users can receive the readings through SMS because there was a connection between Arduino Uno and GSM Module. This system was designed to be portable so that it would be convenient for users to carry it anywhere and everywhere they wanted to since the processor used is smaller in size compared to the LCR machines. It was also developed to ease the user to monitor and control the water quality. However, the ranges of the sensors' detection still a limitation in this study.

  20. Scalable improvement of SPME multipolar electrostatics in anisotropic polarizable molecular mechanics using a general short-range penetration correction up to quadrupoles.

    Science.gov (United States)

    Narth, Christophe; Lagardère, Louis; Polack, Étienne; Gresh, Nohad; Wang, Qiantao; Bell, David R; Rackers, Joshua A; Ponder, Jay W; Ren, Pengyu Y; Piquemal, Jean-Philip

    2016-02-15

    We propose a general coupling of the Smooth Particle Mesh Ewald SPME approach for distributed multipoles to a short-range charge penetration correction modifying the charge-charge, charge-dipole and charge-quadrupole energies. Such an approach significantly improves electrostatics when compared to ab initio values and has been calibrated on Symmetry-Adapted Perturbation Theory reference data. Various neutral molecular dimers have been tested and results on the complexes of mono- and divalent cations with a water ligand are also provided. Transferability of the correction is adressed in the context of the implementation of the AMOEBA and SIBFA polarizable force fields in the TINKER-HP software. As the choices of the multipolar distribution are discussed, conclusions are drawn for the future penetration-corrected polarizable force fields highlighting the mandatory need of non-spurious procedures for the obtention of well balanced and physically meaningful distributed moments. Finally, scalability and parallelism of the short-range corrected SPME approach are addressed, demonstrating that the damping function is computationally affordable and accurate for molecular dynamics simulations of complex bio- or bioinorganic systems in periodic boundary conditions. Copyright © 2016 Wiley Periodicals, Inc.

  1. Derivation of Distributed Models of Atomic Polarizability for Molecular Simulations.

    Science.gov (United States)

    Soteras, Ignacio; Curutchet, Carles; Bidon-Chanal, Axel; Dehez, François; Ángyán, János G; Orozco, Modesto; Chipot, Christophe; Luque, F Javier

    2007-11-01

    The main thrust of this investigation is the development of models of distributed atomic polarizabilities for the treatment of induction effects in molecular mechanics simulations. The models are obtained within the framework of the induced dipole theory by fitting the induction energies computed via a fast but accurate MP2/Sadlej-adjusted perturbational approach in a grid of points surrounding the molecule. Particular care is paid in the examination of the atomic quantities obtained from models of implicitly and explicitly interacting polarizabilities. Appropriateness and accuracy of the distributed models are assessed by comparing the molecular polarizabilities recovered from the models and those obtained experimentally and from MP2/Sadlej calculations. The behavior of the models is further explored by computing the polarization energy for aromatic compounds in the context of cation-π interactions and for selected neutral compounds in a TIP3P aqueous environment. The present results suggest that the computational strategy described here constitutes a very effective tool for the development of distributed models of atomic polarizabilities and can be used in the generation of new polarizable force fields.

  2. Development of polarizable models for molecular mechanical calculations I: parameterization of atomic polarizability.

    Science.gov (United States)

    Wang, Junmei; Cieplak, Piotr; Li, Jie; Hou, Tingjun; Luo, Ray; Duan, Yong

    2011-03-31

    In this work, four types of polarizable models have been developed for calculating interactions between atomic charges and induced point dipoles. These include the Applequist, Thole linear, Thole exponential model, and the Thole Tinker-like. The polarizability models have been optimized to reproduce the experimental static molecular polarizabilities obtained from the molecular refraction measurements on a set of 420 molecules reported by Bosque and Sales. We grouped the models into five sets depending on the interaction types, that is, whether the interactions of two atoms that form the bond, bond angle, and dihedral angle are turned off or scaled down. When 1-2 (bonded) and 1-3 (separated by two bonds) interactions are turned off, 1-4 (separated by three bonds) interactions are scaled down, or both, all models including the Applequist model achieved similar performance: the average percentage error (APE) ranges from 1.15 to 1.23%, and the average unsigned error (AUE) ranges from 0.143 to 0.158 Å(3). When the short-range 1-2, 1-3, and full 1-4 terms are taken into account (set D models), the APE ranges from 1.30 to 1.58% for the three Thole models, whereas the Applequist model (DA) has a significantly larger APE (3.82%). The AUE ranges from 0.166 to 0.196 Å(3) for the three Thole models, compared with 0.446 Å(3) for the Applequist model. Further assessment using the 70-molecule van Duijnen and Swart data set clearly showed that the developed models are both accurate and highly transferable and are in fact have smaller errors than the models developed using this particular data set (set E models). The fact that A, B, and C model sets are notably more accurate than both D and E model sets strongly suggests that the inclusion of 1-2 and 1-3 interactions reduces the transferability and accuracy.

  3. Automatic Water Sensor Window Opening System

    KAUST Repository

    Percher, Michael

    2013-12-05

    A system can automatically open at least one window of a vehicle when the vehicle is being submerged in water. The system can include a water collector and a water sensor, and when the water sensor detects water in the water collector, at least one window of the vehicle opens.

  4. Comammox in drinking water systems.

    Science.gov (United States)

    Wang, Yulin; Ma, Liping; Mao, Yanping; Jiang, Xiaotao; Xia, Yu; Yu, Ke; Li, Bing; Zhang, Tong

    2017-06-01

    The discovery of complete ammonia oxidizer (comammox) has fundamentally upended our perception of the global nitrogen cycle. Here, we reported four metagenome assembled genomes (MAGs) of comammox Nitrospira that were retrieved from metagenome datasets of tap water in Singapore (SG-bin1 and SG-bin2), Hainan province, China (HN-bin3) and Stanford, CA, USA (ST-bin4). Genes of phylogenetically distinct ammonia monooxygenase subunit A (amoA) and hydroxylamine dehydrogenase (hao) were identified in these four MAGs. Phylogenetic analysis based on ribosomal proteins, AmoA, hao and nitrite oxidoreductase (subunits nxrA and nxrB) sequences indicated their close relationships with published comammox Nitrospira. Canonical ammonia-oxidizing microbes (AOM) were also identified in the three tap water samples, ammonia-oxidizing bacteria (AOB) in Singapore's and Stanford's samples and ammonia-oxidizing archaea (AOA) in Hainan's sample. The comammox amoA-like sequences were also detected from some other drinking water systems, and even outnumbered the AOA and AOB amoA-like sequences. The findings of MAGs and the occurrences of AOM in different drinking water systems provided a significant clue that comammox are widely distributed in drinking water systems. Copyright © 2017 Elsevier Ltd. All rights reserved.

  5. The possibility for a pion polarizability measurement at COMPASS

    CERN Document Server

    Guskov, A

    2010-01-01

    The pion electromagnetic structure can be probed in $\\pi^{−}+(A,Z)\\rightarrow\\pi^{-}+(A,Z) + \\gamma$ Compton scattering in inverse kinematics (Primakoff reaction) and described by the electric $(\\alpha_{\\pi})$ and the magnetic $(\\beta_{\\pi})$ polarizabilities that depend on the rigidity of pion’s internal structure as a composite particle. Values for pion polarizabilities can be extracted from the comparison of the differential cross section for scattering of point-like pions with the measured cross section. The opportunity to measure pion polarizability via the Primakoff reaction at the COMPASS experiment was studied with a $\\pi^{−}$ beam of 190 GeV. The obtained results are used for preparation of the new measurement.

  6. Dipole (hyper)polarizabilities of neutral silver clusters

    Science.gov (United States)

    Jorge, Francisco E.; de Macedo, Luiz G. M.

    2016-12-01

    At the Douglas-Kroll-Hess (DKH) level, the B3PW91 functional along with the all-electron relativistic basis sets of valence triple and quadruple zeta qualities are used to determine the structure, stability, and electronic properties of the small silver clusters (Agn, n ⩽ 7). The results presented in this study are in good agreement with the experimental data and theoretical values obtained at a higher level of theory from the literature. Static polarizability and hyperpolarizability are also reported. It is verified that the mean dipole polarizability per atom exhibits an odd-even oscillation and that the polarizability anisotropy is directly related to the cluster shape. In this article, the first study of hyperpolarizabilities of small silver clusters is presented. Except for the monomer, the second hyperpolarizabilities of the silver clusters are significantly larger than those of the copper clusters. Project supported by CNPq, CAPES, and FAPES (Brazilian Agencies).

  7. QM/MM based fitting of atomic polarizabilities for use in condensed-phase biomolecular simulation

    NARCIS (Netherlands)

    Vosmeer, C.R.; Rustenburg, A.S.; Rice, J.E.; Horn, H.W.; Swope, W.C.; Geerke, D.P.

    2012-01-01

    Accounting for electronic polarization effects in biomolecular simulation (by using a polarizable force field) can increase the accuracy of simulation results. However, the use of gas-phase estimates of atomic polarizabilities α

  8. Lanczos-driven coupled-cluster damped linear response theory for molecules in polarizable environments

    DEFF Research Database (Denmark)

    List, Nanna Holmgaard; Coriani, Sonia; Kongsted, Jacob

    2014-01-01

    We present an extension of a previously reported implementation of a Lanczos-driven coupled-cluster (CC) damped linear response approach to molecules in condensed phases, where the effects of a surrounding environment are incorporated by means of the polarizable embedding formalism. We...... by confirming numerically the validity of the routinely invoked neglect of the J matrix contribution as well as motivating future use of the approximation that offers a reduction of the dimensionality of the eigenvalue problem. Preliminary applications to K-edge absorption of liquid water and aqueous acrolein...

  9. Drinking Water Temperature Modelling in Domestic Systems

    NARCIS (Netherlands)

    Moerman, A.; Blokker, M.; Vreeburg, J.; Van der Hoek, J.P.

    2014-01-01

    Domestic water supply systems are the final stage of the transport process to deliver potable water to the customers’ tap. Under the influence of temperature, residence time and pipe materials the drinking water quality can change while the water passes the domestic drinking water system. According

  10. Drinking Water Temperature Modelling in Domestic Systems

    OpenAIRE

    Moerman, A.; Blokker, M.; Vreeburg, J.; van der Hoek, J.P.

    2014-01-01

    Domestic water supply systems are the final stage of the transport process to deliver potable water to the customers’ tap. Under the influence of temperature, residence time and pipe materials the drinking water quality can change while the water passes the domestic drinking water system. According to the Dutch Drinking Water Act the drinking water temperature may not exceed the 25 °C threshold at point-of-use level. This paper provides a mathematical approach to model the heating of drinking...

  11. Water-Cut Sensor System

    KAUST Repository

    Karimi, Muhammad Akram

    2018-01-11

    Provided in some embodiments is a method of manufacturing a pipe conformable water-cut sensors system. Provided in some embodiments is method for manufacturing a water-cut sensor system that includes providing a helical T-resonator, a helical ground conductor, and a separator at an exterior of a cylindrical pipe. The helical T-resonator including a feed line, and a helical open shunt stub conductively coupled to the feed line. The helical ground conductor including a helical ground plane opposite the helical open shunt stub and a ground ring conductively coupled to the helical ground plane. The feed line overlapping at least a portion of the ground ring, and the separator disposed between the feed line and the portion of the ground ring overlapped by the feed line to electrically isolate the helical T-resonator from the helical ground conductor.

  12. Water sample-collection and distribution system

    Science.gov (United States)

    Brooks, R. R.

    1978-01-01

    Collection and distribution system samples water from six designated stations, filtered if desired, and delivers it to various analytical sensors. System may be controlled by Water Monitoring Data Acquisition System or operated manually.

  13. Gaussian-Charge Polarizable and Nonpolarizable Models for CO2.

    Science.gov (United States)

    Jiang, Hao; Moultos, Othonas A; Economou, Ioannis G; Panagiotopoulos, Athanassios Z

    2016-02-11

    A polarizable intermolecular potential model using three classical Drude oscillators on the atomic sites has been developed for CO2. The model is rigid with bond lengths and molecular geometries set to their experimental values. Electrostatic interactions are represented by three Gaussian charges connected to the molecular frame by harmonic springs. Nonelectrostatic interactions are represented by the Buckingham exponential-6 potential, with potential parameters optimized to vapor-liquid equilibria (VLE) data. A nonpolarizable CO2 model that shares the other ingredients of the polarizable model was also developed and optimized to VLE data. Gibbs ensemble Monte Carlo and molecular dynamics simulations were used to evaluate the two models with respect to a variety of thermodynamic and transport properties, including the enthalpy of vaporization, second virial coefficient, density in the one-phase fluid region, isobaric and isochoric heat capacities, radial distribution functions, self-diffusion coefficient, and shear viscosity. Excellent agreement between model predictions and experimental data was found for all properties studied. The polarizable and nonpolarizable models provide a similar representation of CO2 properties, which indicates that the properties of pure CO2 fluid are not strongly affected by polarization. The polarizable model, which has an order of magnitude higher computational cost than the nonpolarizable model, will likely be useful for the study of a mixture of CO2 and polar components for which polarization is important.

  14. Substituent effects of the alkyl groups: Polarity vs. polarizability

    Czech Academy of Sciences Publication Activity Database

    Exner, Otto; Böhm, S.

    -, č. 17 (2007), s. 2870-2876 ISSN 1434-193X Institutional research plan: CEZ:AV0Z40550506 Keywords : density functional calculations * hyperconjugation * inductive effect * polarizability Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.914, year: 2007

  15. Neutron polarizability. Possibilities of its determination in neutron experiments

    CERN Document Server

    Aleksandrov, Y A

    2001-01-01

    The history of question of neutron polarizability is discussed. Most of the neutron physical experiments conducted at neutron energies below 14 MeV to discover the electric polarizability of the neutron are reviewed.The existence of additional scattering after all known long range-related phenomena are taken into account are emphasized. In the keV neutron energy region, the effect of neutron polarizability on the angular distribution of scattering (over a wide range of angles) and the energy behavior of the total cross section of neutron interaction is studied. Finally, in the region of low energies (below 1 keV) the focus is on the influence of polarizability on the energy dependence of total neutron cross sections. It is emphasized that measurements at energies below several hundreds keV have not given any positive results yet due to the smallness of the experimental effect. Possible existence of an additional potential of neutron scattering on nuclei with a longer range than that of the usual nuclear poten...

  16. Polarizability effects on the structure and dynamics of ionic liquids

    Energy Technology Data Exchange (ETDEWEB)

    Cavalcante, Ary de Oliveira, E-mail: arycavalcante@ufam.edu.br [Institute of Chemistry, University of Campinas – UNICAMP, Cx. P. 6154, Campinas, SP 13084-862 (Brazil); Departamento de Química, Universidade Federal do Amazonas, Av. Rodrigo Octávio, 6200, Coroado, Manaus, AM (Brazil); Ribeiro, Mauro C. C. [Laboratório de Espectroscopia Molecular, Instituto de Química, Universidade de São Paulo, São Paulo, SP C.P. 26077, 05513 970 São Paulo, SP (Brazil); Skaf, Munir S. [Institute of Chemistry, University of Campinas – UNICAMP, Cx. P. 6154, Campinas, SP 13084-862 (Brazil)

    2014-04-14

    Polarization effects on the structure and dynamics of ionic liquids are investigated using molecular dynamics simulations. Four different ionic liquids were simulated, formed by the anions Cl{sup −} and PF{sub 6}{sup −}, treated as single fixed charge sites, and the 1-n-alkyl-3-methylimidazolium cations (1-ethyl and 1-butyl-), which are polarizable. The partial charge fluctuation of the cations is provided by the electronegativity equalization model (EEM) and a complete parameter set for the cations electronegativity (χ) and hardness (J) is presented. Results obtained from a non-polarizable model for the cations are also reported for comparison. Relative to the fixed charged model, the equilibrium structure of the first solvation shell around the imidazolium cations shows that inclusion of EEM polarization forces brings cations closer to each other and that anions are preferentially distributed above and below the plane of the imidazolium ring. The polarizable model yields faster translational and reorientational dynamics than the fixed charges model in the rotational-diffusion regime. In this sense, the polarizable model dynamics is in better agreement with the experimental data.

  17. Theory and applications of atomic and ionic polarizabilities

    International Nuclear Information System (INIS)

    Mitroy, J; Safronova, M S; Clark, Charles W

    2010-01-01

    Atomic polarization phenomena impinge upon a number of areas and processes in physics. The dielectric constant and refractive index of any gas are examples of macroscopic properties that are largely determined by the dipole polarizability. When it comes to microscopic phenomena, the existence of alkaline-earth anions and the recently discovered ability of positrons to bind to many atoms are predominantly due to the polarization interaction. An imperfect knowledge of atomic polarizabilities is presently looming as the largest source of uncertainty in the new generation of optical frequency standards. Accurate polarizabilities for the group I and II atoms and ions of the periodic table have recently become available by a variety of techniques. These include refined many-body perturbation theory and coupled-cluster calculations sometimes combined with precise experimental data for selected transitions, microwave spectroscopy of Rydberg atoms and ions, refractive index measurements in microwave cavities, ab initio calculations of atomic structures using explicitly correlated wavefunctions, interferometry with atom beams and velocity changes of laser cooled atoms induced by an electric field. This review examines existing theoretical methods of determining atomic and ionic polarizabilities, and discusses their relevance to various applications with particular emphasis on cold-atom physics and the metrology of atomic frequency standards. (topical review)

  18. Theory and applications of atomic and ionic polarizabilities

    Energy Technology Data Exchange (ETDEWEB)

    Mitroy, J [School of Engineering, Charles Darwin University, Darwin NT 0909 (Australia); Safronova, M S [Department of Physics and Astronomy, University of Delaware, Newark, DE 19716 (United States); Clark, Charles W, E-mail: jxm107@rsphysse.anu.edu.a, E-mail: msafrono@udel.ed, E-mail: charles.clark@nist.go [Joint Quantum Institute, National Institute of Standards and Technology and the University of Maryland, Gaithersburg, MD 20899-8410 (United States)

    2010-10-28

    Atomic polarization phenomena impinge upon a number of areas and processes in physics. The dielectric constant and refractive index of any gas are examples of macroscopic properties that are largely determined by the dipole polarizability. When it comes to microscopic phenomena, the existence of alkaline-earth anions and the recently discovered ability of positrons to bind to many atoms are predominantly due to the polarization interaction. An imperfect knowledge of atomic polarizabilities is presently looming as the largest source of uncertainty in the new generation of optical frequency standards. Accurate polarizabilities for the group I and II atoms and ions of the periodic table have recently become available by a variety of techniques. These include refined many-body perturbation theory and coupled-cluster calculations sometimes combined with precise experimental data for selected transitions, microwave spectroscopy of Rydberg atoms and ions, refractive index measurements in microwave cavities, ab initio calculations of atomic structures using explicitly correlated wavefunctions, interferometry with atom beams and velocity changes of laser cooled atoms induced by an electric field. This review examines existing theoretical methods of determining atomic and ionic polarizabilities, and discusses their relevance to various applications with particular emphasis on cold-atom physics and the metrology of atomic frequency standards. (topical review)

  19. Optimization of solar water heating systems through water replenishment

    International Nuclear Information System (INIS)

    Kulkarni, Govind N.; Kedare, Shireesh B.; Bandyopadhyay, Santanu

    2009-01-01

    In a typical solar water heating system, cold water is replenished into the storage tank as soon as the load is served. However, it is possible to determine the water replenishment profile (i.e., the quantity of the cold makeup water to be supplied to the storage tank over a day) that optimizes the overall system. In this paper, the effect of water replenishment on the system sizing is studied and a novel strategy for water replenishment is proposed to improve the design and performance of solar water heating systems. Based on an analytical technique, an approximate water replenishment profile is proposed to size a solar water heating system near-optimally. The problem is analyzed using a methodology called design space approach. Design space of a solar water heating system identifies all possible and feasible designs on a collector area vs. storage volume diagram. For illustration of the proposed methodology, an example problem is solved. It is observed that the annualized system cost can be reduced by 13.7%. For the cost-optimal system configuration, a reduction of 12.7% in the collector area and 10.2% reduction in the storage volume are observed. The proposed methodology is particularly important and advantageous for large commercial and industrial solar water heating systems

  20. California community water systems inventory dataset, 2010

    Data.gov (United States)

    California Environmental Health Tracking Program — This data set contains information about all Community Water Systems in California. Data are derived from California Office of Drinking Water (ODW) Water Quality...

  1. Cooling water systems design using process integration

    CSIR Research Space (South Africa)

    Gololo, KV

    2010-09-01

    Full Text Available Cooling water systems are generally designed with a set of heat exchangers arranged in parallel. This arrangement results in higher cooling water flowrate and low cooling water return temperature thus reducing cooling tower efficiency. Previous...

  2. Molecular response functions for the polarizable continuum model physical basis and quantum mechanical formalism

    CERN Document Server

    Cammi, Roberto

    2013-01-01

    This Brief presents the main aspects of the response functions theory (RFT) for molecular solutes described within the framework of the Polarizable Continuum Model (PCM). PCM is a solvation model for a Quantum Mechanical molecular system in which the solvent is represented as a continuum distribution of matter. Particular attention is devoted to the description of the basic features of the PCM model, and to the problems characterizing the study of the response function theory for molecules in solution with respect to the analogous theory on isolated molecules.

  3. Small Drinking Water Systems Communication and Outreach ...

    Science.gov (United States)

    As part of our small drinking water systems efforts, this poster highlights several communications and outreach highlights that EPA's Office of Research and Development and Office of Water have been undertaking in collaboration with states and the Association of State Drinking Water Administrators. To share information at EPA's annual small drinking water systems workshop

  4. USAF Mobility Program Water Treatment System.

    Science.gov (United States)

    also be necessary. Water treatment systems are presented which can be developed to yield potable water from these sources. The proposed systems can be designed to meet the requirements of the Bare Base Mobility Program. (Author)

  5. Water reactive hydrogen fuel cell power system

    Science.gov (United States)

    Wallace, Andrew P; Melack, John M; Lefenfeld, Michael

    2014-01-21

    A water reactive hydrogen fueled power system includes devices and methods to combine reactant fuel materials and aqueous solutions to generate hydrogen. The generated hydrogen is converted in a fuel cell to provide electricity. The water reactive hydrogen fueled power system includes a fuel cell, a water feed tray, and a fuel cartridge to generate power for portable power electronics. The removable fuel cartridge is encompassed by the water feed tray and fuel cell. The water feed tray is refillable with water by a user. The water is then transferred from the water feed tray into a fuel cartridge to generate hydrogen for the fuel cell which then produces power for the user.

  6. Collision-induced Raman scattering by rare-gas atoms: The isotropic spectrum of Ne–Ne and its mean polarizability

    Energy Technology Data Exchange (ETDEWEB)

    Rachet, Florent; Chrysos, Michael, E-mail: michel.chrysos@univ-angers.fr [LUNAM Université, Université d’Angers, CNRS UMR 6200, Laboratoire MOLTECH-Anjou, 2 Bd Lavoisier, 49045 Angers (France); Dixneuf, Sophie [Forschungszentrum Jülich GmbH IEK-8, Troposphere, 52425 Jülich (Germany)

    2015-05-07

    We report the room-temperature isotropic collision-induced light scattering spectrum of Ne–Ne over a wide interval of Raman shifts, and we compare it with the only available experimental spectrum for that system as well as with spectra calculated quantum-mechanically with the employ of advanced ab initio-computed data for the incremental mean polarizability. The spectral range previously limited to 170 cm{sup −1} is now extended to 485 cm{sup −1} allowing us to successfully solve the inverse-scattering problem toward an analytic model for the mean polarizability that perfectly matches our measurements. We also report the depolarization ratio of the scattering process, lingering over the usefulness of this property for more stringent checks between the various polarizability models.

  7. Collision-induced Raman scattering by rare-gas atoms: The isotropic spectrum of Ne-Ne and its mean polarizability.

    Science.gov (United States)

    Rachet, Florent; Dixneuf, Sophie; Chrysos, Michael

    2015-05-07

    We report the room-temperature isotropic collision-induced light scattering spectrum of Ne-Ne over a wide interval of Raman shifts, and we compare it with the only available experimental spectrum for that system as well as with spectra calculated quantum-mechanically with the employ of advanced ab initio-computed data for the incremental mean polarizability. The spectral range previously limited to 170 cm(-1) is now extended to 485 cm(-1) allowing us to successfully solve the inverse-scattering problem toward an analytic model for the mean polarizability that perfectly matches our measurements. We also report the depolarization ratio of the scattering process, lingering over the usefulness of this property for more stringent checks between the various polarizability models.

  8. Measurement of the charged pion polarizability at COMPASS

    International Nuclear Information System (INIS)

    Nagel, Thiemo Christian Ingo

    2012-01-01

    The reaction π - +Z→π - +γ+Z in which a photon is produced by a beam pion scattering off a quasi-real photon of the Coulomb field of the target nucleus is identified experimentally by the tiny magnitude of the momentum transfer to the nucleus. This process gives access to the charged pion polarizabilities α π and β π whose experimental determination constitutes an important test of Chiral Perturbation Theory. In this work, the pion polarizability is obtained as α π =(1.9±0.7 stat. ±0.8 syst. ) x 10 -4 fm 3 from data taken with 190 GeV/c hadron beam provided by SPS to the COMPASS experiment at CERN in November 2009 and under the assumption of α π +β π =0.

  9. Measurement of the charged pion polarizability at COMPASS

    Energy Technology Data Exchange (ETDEWEB)

    Nagel, Thiemo Christian Ingo

    2012-09-26

    The reaction {pi}{sup -}+Z{yields}{pi}{sup -}+{gamma}+Z in which a photon is produced by a beam pion scattering off a quasi-real photon of the Coulomb field of the target nucleus is identified experimentally by the tiny magnitude of the momentum transfer to the nucleus. This process gives access to the charged pion polarizabilities {alpha}{sub {pi}} and {beta}{sub {pi}} whose experimental determination constitutes an important test of Chiral Perturbation Theory. In this work, the pion polarizability is obtained as {alpha}{sub {pi}}=(1.9{+-}0.7{sub stat.}{+-}0.8{sub syst.}) x 10{sup -4} fm{sup 3} from data taken with 190 GeV/c hadron beam provided by SPS to the COMPASS experiment at CERN in November 2009 and under the assumption of {alpha}{sub {pi}}+{beta}{sub {pi}}=0.

  10. Polarizability of deformed nuclei and energy shifts in muonic atoms

    International Nuclear Information System (INIS)

    Nali, P.F.; Quarati, P.

    1980-01-01

    The polarizability and nuclear-polarization energy shifts of nuclei composed of closed shells plus valence nucleons in muonic atoms have been calculated: the harmonic-oscillator results of the El polarizability and the energy shifts have been corrected by means of a perturbative approach, which takes into account the effects introduced by the deformation Nilsson potential. Furthermore, to take into account the core polarization effect, different harmonic-oscillator parameters for the core and the valence nucleons have been assumed. The energy shifts of a sequence of states occupied by the muon during its atomic electromagnetic cascade for the nuclei 17 O and 17 F, 41 Ca and 41 Sc have been calculated. (author)

  11. Variation of the electronic dipole polarizability on the reaction path.

    Science.gov (United States)

    Jędrzejewski, Mateusz; Ordon, Piotr; Komorowski, Ludwik

    2013-10-01

    The reaction force and the electronic flux, first proposed by Toro-Labbé et al. (J Phys Chem A 103:4398, 1999) have been expressed by the existing conceptual DFT apparatus. The critical points (extremes) of the chemical potential, global hardness and softness have been identified by means of the existing and computable energy derivatives: the Hellman-Feynman force, nuclear reactivity and nuclear stiffness. Specific role of atoms at the reaction center has been unveiled by indicating an alternative method of calculation of the reaction force and the reaction electronic flux. The electron dipole polarizability on the IRC has been analyzed for the model reaction HF + CO→HCOF. The electron polarizability determined on the IRC α e (ξ) was found to be reasonably parallel to the global softness curve S(ξ). The softest state on the IRC (not TS) coincides with zero electronic flux.

  12. Polarizability of π-mesons in the quark confinement model

    International Nuclear Information System (INIS)

    Avakyan, E.Z.; Avakyan, S.L.; Efimov, G.V.; Ivanov, M.A.

    1988-01-01

    The electric α π and magnetic β π polarizabilities are calculated in the Quark Confinement Model (QCM). The diagrams with vector, scalar and axial intermediate states are taken into account. It is found that intermediate scalar mesons give an essential contribution to electric and magnetic polarizabilities of pions. The following values for α π and β π are obtained: α π ± =4.06x10 -43 cm 3 ; β π ± =-3.84x10 -43 ; α π 0 =-0.18x10 -43 cm 3 ; β π 0 =1.92x10 -43 cm 3 . The widths of strong (α 0 (980) → πη, f 0 (975) → ππ, ε(730) → ππ) and radiative (α 0 (980), f 0 (980), ε(730) → γγ) decays are calculated. The results are obtained to be in satisfactory agreement with expermental data

  13. Detecting Stealth Dark Matter Directly through Electromagnetic Polarizability.

    Science.gov (United States)

    Appelquist, T; Berkowitz, E; Brower, R C; Buchoff, M I; Fleming, G T; Jin, X-Y; Kiskis, J; Kribs, G D; Neil, E T; Osborn, J C; Rebbi, C; Rinaldi, E; Schaich, D; Schroeder, C; Syritsyn, S; Vranas, P; Weinberg, E; Witzel, O

    2015-10-23

    We calculate the spin-independent scattering cross section for direct detection that results from the electromagnetic polarizability of a composite scalar "stealth baryon" dark matter candidate, arising from a dark SU(4) confining gauge theory-"stealth dark matter." In the nonrelativistic limit, electromagnetic polarizability proceeds through a dimension-7 interaction leading to a very small scattering cross section for dark matter with weak-scale masses. This represents a lower bound on the scattering cross section for composite dark matter theories with electromagnetically charged constituents. We carry out lattice calculations of the polarizability for the lightest "baryon" states in SU(3) and SU(4) gauge theories using the background field method on quenched configurations. We find the polarizabilities of SU(3) and SU(4) to be comparable (within about 50%) normalized to the stealth baryon mass, which is suggestive for extensions to larger SU(N) groups. The resulting scattering cross sections with a xenon target are shown to be potentially detectable in the dark matter mass range of about 200-700 GeV, where the lower bound is from the existing LUX constraint while the upper bound is the coherent neutrino background. Significant uncertainties in the cross section remain due to the more complicated interaction of the polarizablity operator with nuclear structure; however, the steep dependence on the dark matter mass, 1/m(B)(6), suggests the observable dark matter mass range is not appreciably modified. We briefly highlight collider searches for the mesons in the theory as well as the indirect astrophysical effects that may also provide excellent probes of stealth dark matter.

  14. Experimental Constraints on Polarizability Corrections to Hydrogen Hyperfine Structure

    International Nuclear Information System (INIS)

    Nazaryan, Vahagn; Carlson, Carl E.; Griffioen, Keith A.

    2006-01-01

    We present a state-of-the-art evaluation of the polarizability corrections--the inelastic nucleon corrections--to the hydrogen ground-state hyperfine splitting using analytic fits to the most recent data. We find a value Δ pol =1.3±0.3 ppm. This is 1-2 ppm smaller than the value of Δ pol deduced using hyperfine splitting data and elastic nucleon corrections obtained from modern form factor fits

  15. Real and virtual Compton scattering: The nucleon polarizabilities

    International Nuclear Information System (INIS)

    Downie, E.J.; Fonvieille, H.

    2011-01-01

    We give an overview of low-energy Compton scattering γ (*) p → γp with a real or virtual incoming photon. These processes allow the investigation of one of the fundamental properties of the nucleon, i.e. how its internal structure deforms under an applied static electromagnetic field. Our knowledge of nucleon polarizabilities and their generalization to non-zero four-momentum transfer will be reviewed, including the presently ongoing experiments and future perspectives. (authors)

  16. Modeling Electronic Circular Dichroism within the Polarizable Embedding Approach

    DEFF Research Database (Denmark)

    Nørby, Morten S; Olsen, Jógvan Magnus Haugaard; Steinmann, Casper

    2017-01-01

    We present a systematic investigation of the key components needed to model single chromophore electronic circular dichroism (ECD) within the polarizable embedding (PE) approach. By relying on accurate forms of the embedding potential, where especially the inclusion of local field effects...... are in focus, we show that qualitative agreement between rotatory strength parameters calculated by full quantum mechanical calculations and the more efficient embedding calculations can be obtained. An important aspect in the computation of reliable absorption parameters is the need for conformational...

  17. Time reversal violating nuclear polarizability and atomic electric dipole moment

    International Nuclear Information System (INIS)

    Ginges, J.S.M.; Flambaum, V.V.; Mititelu, G.

    2000-01-01

    Full text: We propose a nuclear mechanism which can induce an atomic electric dipole moment (EDM). The interaction of external electric E and magnetic H fields with nuclear electric and magnetic dipole moments, d and ,u, gives rise to an energy shift, U= -β ik E i H k , where β ik is the nuclear polarizability. Parity and time invariance violating (P,T-odd) nuclear forces generate a mixed P,T-odd nuclear polarizability, whereψ 0 and ψ n are P,T-odd perturbed ground and excited nuclear states, respectively. In the case of a heavy spherical nucleus with a single unpaired nucleon, the perturbed wavefunctions are U = -β ik E i H k , where ξis a constant proportional to the strength of the nuclear P,T-odd interaction, σ is the nuclear spin operator, and ψ n is an unperturbed wavefunction. There are both scalar and tensor contributions to the nuclear P,T-odd polarizability. An atomic EDM is induced by the interaction of the fields of an unpaired electron in an atom with the P,T-odd perturbed atomic nucleus. An estimate for the value of this EDM has been made. The measurements of atomic EDMs can provide information about P,T-odd nuclear forces and test models of CP-violation

  18. Density Functional Studies of Molecular Polarizabilities. 10. Fulvenes and Fulvalenes

    Directory of Open Access Journals (Sweden)

    Humberto J. Soscún Machado

    2000-09-01

    Full Text Available We report accurate Ab Initio Hartree Fock (HF and Density Functional Theory (DFT studies of the static dipole polarizabilities and first hyperpolarizabilities of the [n] fulvene and the [n,m] fulvalene series of molecules (with n, m = 3,5,7. Calculations are also reported for the parent cycloalkenes: cyclopropene, cyclopentadiene and cycloheptatriene (1-3 respectively. Geometries were optimized at the HF/6-311G(3d,2p level of theory. All the fulvenes (4-6 and the smaller fulvalenes (7, 9 and 10 are found to be planar. Pentaheptafulvalene (11 is slightly non-planar whilst heptafulvalene (12 has a folded C2h structure. Calculated C-C bond lengths are consistently smaller than the experimental values. Dipole polarizabilities and non-zero hyperpolarizabilities were calculated at the HF/6-311++G(3d,2p and BLYP/6-311++G(3d,2p levels of theory, using HF/6-311G(3d,2p geometries. Dipole polarizabilities correlate well with those given on the basis of atom additivity. Molecules (8, (9 and (11 show very large dipole hyperpolarizabilities.

  19. Calculations of the thermal conductivities of ionic materials by simulation with polarizable interaction potentials.

    Science.gov (United States)

    Ohtori, Norikazu; Salanne, Mathieu; Madden, Paul A

    2009-03-14

    Expressions for the energy current of a system of charged, polarizable ions in periodic boundary conditions are developed in order to allow the thermal conductivity in such a system to be calculated by computer simulation using the Green-Kubo method. Dipole polarizable potentials for LiCl, NaCl, and KCl are obtained on a first-principles basis by "force matching" to the results of ab initio calculations on suitable condensed-phase ionic configurations. Simulation results for the thermal conductivity, and also other transport coefficients, for the melts are compared with experimental data and with results obtained with other interaction potentials. The agreement with experiment is almost quantitative, especially for NaCl and KCl, indicating that these methodologies, perhaps with more sophisticated forms for the potential, can be used to predict thermal conductivities for melts for which experimental determination is very difficult. It is demonstrated that the polarization effects have an important effect on the energy current and are crucial to a predictive scheme for the thermal conductivity.

  20. Influence of self-consistent screening and polarizability contractions on interlayer sliding behavior of hexagonal boron nitride

    Science.gov (United States)

    Gong, Wenbin; Zhang, Wei; Wang, Chengbin; Yao, Yagang; Lu, Weibang

    2017-11-01

    The interlayer sliding behaviors of hexagonal boron nitride (h -BN) were investigated via a density functional theory approach with dispersion interaction included. It was found that the self-consistent screening effect (SCS) and the polarizability contractions had significant influences on London dispersion forces, which are responsible for not only the stacking modes but also for the sliding behaviors of h -BN. In consideration of the ionic characteristics of h -BN, surprisingly, the calculated dispersion force was found to dominate the electrostatic interaction along a minimum-energy sliding pathway and make a pronounced contribution (˜35 %) to the barrier during the constrained sliding. This study demonstrates that the SCS and polarizability contractions play important roles in the sliding behaviors of h -BN and that the long-range dispersion interaction should be carefully treated, even in systems with ionic characteristics.

  1. Combined air and water pollution control system

    Science.gov (United States)

    Wolverton, Billy C. (Inventor); Jarrell, Lamont (Inventor)

    1990-01-01

    A bioaquatic air pollution control system for controlling both water and atmospheric pollution is disclosed. The pollution control system includes an exhaust for directing polluted gases out of a furnace and a fluid circulating system which circulates fluid, such as waste water, from a source, past the furnace where the fluid flow entrains the pollutants from the furnace. The combined fluid and pollutants are then directed through a rock/plant/microbial filtering system. A suction pump pumps the treated waste water from the filter system past the exhaust to again entrain more pollutants from the furnace where they are combined with the fluid (waste water) and directed to the filter system.

  2. Hydrologic and Water Quality System (HAWQS)

    Science.gov (United States)

    The Hydrologic and Water Quality System (HAWQS) is a web-based interactive water quantity and quality modeling system that employs as its core modeling engine the Soil and Water Assessment Tool (SWAT), an internationally-recognized public domain model. HAWQS provides users with i...

  3. Greening the global water system

    Science.gov (United States)

    Hoff, H.; Falkenmark, M.; Gerten, D.; Gordon, L.; Karlberg, L.; Rockström, J.

    2010-04-01

    SummaryRecent developments of global models and data sets enable a new, spatially explicit and process-based assessment of green and blue water in food production and trade. An initial intercomparison of a range of different (hydrological, vegetation, crop, water resources and economic) models, confirms that green water use in global crop production is about 4-5 times greater than consumptive blue water use. Hence, the full green-to-blue spectrum of agricultural water management options needs to be used when tackling the increasing water gap in food production. The different models calculate considerable potentials for complementing the conventional approach of adding irrigation, with measures to increase water productivity, such as rainwater harvesting, supplementary irrigation, vapour shift and soil and nutrient management. Several models highlight Africa, in particular sub-Saharan Africa, as a key region for improving water productivity in agriculture, by implementing these measures. Virtual water trade, mostly based on green water, helps to close the water gap in a number of countries. It is likely to become even more important in the future, when inequities in water availability are projected to grow, due to climate, population and other drivers of change. Further model developments and a rigorous green-blue water model intercomparison are proposed, to improve simulations at global and regional scale and to enable tradeoff analyses for the different adaptation options.

  4. Sustainable Water Use System of Artesian Water in Alluvial Fan

    Science.gov (United States)

    Kishi, K.; Tsujimura, M.; Tase, N.

    2013-12-01

    The traditional water use system, developed with the intelligence of the local residents, usually takes advantage of local natural resources and is considered as a sustainable system, because of its energy saving(only forces of nature). For this reason, such kind of water use system is also recommended in some strategic policies for the purpose of a symbiosis between nature and human society. Therefore, it is important to clarify the relationship between human activities and water use systems. This study aims to clarify the mechanism of traditional water use processes in alluvial fan, and in addition, to investigate the important factors which help forming a sustainable water use system from the aspects of natural conditions and human activities. The study area, an alluvial fan region named Adogawa, is located in Shiga Prefecture, Japan and is in the west of Biwa Lake which is the largest lake in Japan. In this alluvial region where the land use is mainly occupied by settlements and paddy fields, a groundwater flowing well system is called "kabata" according to local tradition. During field survey, we took samples of groundwater, river water and lake water as well as measured the potential head of groundwater. The results showed that the upper boundary of flowing water was approximately 88m amsl, which is basically the same as the results reported by Kishi and Kanno (1966). In study area, a rapid increase of water pumping for domestic water use and melting snow during last 50 years, even if the irrigation area has decreased about 30% since 1970, and this fact may cause a decrease in recharge rate to groundwater. However, the groundwater level didn't decline based on the observed results, which is probably contributed by some water conservancy projects on Biwa Lake which maintained the water level of the lake. All the water samples are characterized by Ca-HCO3 type and similar stable isotopic value of δD and δ18O. Groundwater level in irrigation season is higher

  5. Water activity in polyol/water systems: new UNIFAC parameterization

    Directory of Open Access Journals (Sweden)

    C. Marcolli

    2005-01-01

    Full Text Available Water activities of a series of polyol/water systems were measured with an AquaLab dew point water activity meter at 298K. The investigated polyols with carbon numbers from n=2-7 are all in liquid state at room temperature and miscible at any molar ratio with water. In aqueous solutions with the same molar concentration, the diols with lower molecular weight lead to lower water activities than those with higher molecular weights. For diols with four or more carbon atoms, the hydrophilicity shows considerable differences between isomers: The 1,2-isomers - consisting of a hydrophilic and a hydrophobic part - bind less strongly to water than isomers with a more balanced distribution of the hydroxyl groups. The experimental water activities were compared with the predictions of the group contribution method UNIFAC: the model predictions overestimate the water activity of water/polyol systems of substances with two or more hydroxyl groups and can not describe the decreased binding to water of isomers with hydrophobic tails. To account for the differences between isomers, a modified UNIFAC parameterization was developed, that allows to discriminate between three types of alkyl groups depending on their position in the molecule. These new group interaction parameters were calculated using water activities of alcohol/water mixtures. This leads to a distinctly improved agreement of model predictions with experimental results while largely keeping the simplicity of the functional group approach.

  6. Water activity in polyol/water systems: new UNIFAC parameterization

    Science.gov (United States)

    Marcolli, C.; Peter, Th.

    2005-06-01

    Water activities of a series of polyol/water systems were measured with an AquaLab dew point water activity meter at 298K. The investigated polyols with carbon numbers from n=2-7 are all in liquid state at room temperature and miscible at any molar ratio with water. In aqueous solutions with the same molar concentration, the diols with lower molecular weight lead to lower water activities than those with higher molecular weights. For diols with four or more carbon atoms, the hydrophilicity shows considerable differences between isomers: The 1,2-isomers - consisting of a hydrophilic and a hydrophobic part - bind less strongly to water than isomers with a more balanced distribution of the hydroxyl groups. The experimental water activities were compared with the predictions of the group contribution method UNIFAC: the model predictions overestimate the water activity of water/polyol systems of substances with two or more hydroxyl groups and can not describe the decreased binding to water of isomers with hydrophobic tails. To account for the differences between isomers, a modified UNIFAC parameterization was developed, that allows to discriminate between three types of alkyl groups depending on their position in the molecule. These new group interaction parameters were calculated using water activities of alcohol/water mixtures. This leads to a distinctly improved agreement of model predictions with experimental results while largely keeping the simplicity of the functional group approach.

  7. Water activity in polyol/water systems: new UNIFAC parameterization

    OpenAIRE

    Marcolli, C.; Peter, Th.

    2005-01-01

    Water activities of a series of polyol/water systems were measured with an AquaLab dew point water activity meter at 298 K. The investigated polyols with carbon numbers from n=2–7 are all in liquid state at room temperature and miscible at any molar ratio 5 with water. In aqueous solutions with the same mass concentration, the diols with lower molecular weight lead to lower water activities than those with higher molecular weights. For diols with four or more carbon atoms, the hygro...

  8. Advanced Mars Water Acquisition System, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — The Advanced Mars Water Acquisition System (AMWAS) recovers and purifies water from Mars soils for oxygen and fuel production, life support, food production, and...

  9. Optimization Program for Drinking Water Systems

    Science.gov (United States)

    The Area-Wide Optimization Program (AWOP) provides tools and approaches for drinking water systems to meet water quality optimization goals and provide an increased – and sustainable – level of public health protection to their consumers.

  10. Physical Principles of Development of the State Standard of Biological Cell Polarizability

    Science.gov (United States)

    Shuvalov, G. V.; Generalov, K. V.; Generalov, V. M.; Kruchinina, M. V.; Koptev, E. S.; Minin, O. V.; Minin, I. V.

    2018-03-01

    A new state standard of biological cell polarizability based on micron-size latex particles has been developed. As a standard material, it is suggested to use polystyrene. Values of the polarizability calculated for erythrocytes and values of the polarizability of micron-size spherical latex particles measured with measuring-computing complexes agree within the limits of satisfactory relative error. The Standard allows one the unit of polarizability measurements [m3] to be assigned to cells and erythrocytes for the needs of medicine.

  11. Dynamic dipole polarizabilities of the Li atom and the Be+ ion

    International Nuclear Information System (INIS)

    Tang Liyan; Yan Zongchao; Shi Tingyun; Mitroy, J.

    2010-01-01

    The dynamic dipole polarizabilities for Li atoms and Be + ions in the 2 2 S and 2 2 P states are calculated using the variational method with a Hylleraas basis. The present polarizabilities represent the definitive values in the nonrelativistic limit. Corrections due to relativistic effects are also estimated. Analytic representations of the polarizabilities for frequency ranges encompassing the n=3 excitations are presented. The recommended polarizabilities for 7 Li and 9 Be + are 164.11±0.03 a 0 3 and 24.489±0.004 a 0 3 , respectively.

  12. Chiral model predictions for electromagnetic polarizabilities of the nucleon: A 'consumer report'

    International Nuclear Information System (INIS)

    Broniowski, W.

    1992-01-01

    This contribution has two parts: (1) The author critically discusses predictions for the electromagnetic polarizabilities of the nucleon obtained in two different approaches: (a) hedgehog models (HM), such as Skyrmions, chiral quark models, hybrid bags, NJL etc., and (b) chiral perturbation theory (χPT). (2) The author shows new results obtained in HM: N c -counting of polarizabilities, splitting of the neutron and proton polarizabilities (he argues that α n > α p in models with pionic clouds), relevance of dispersive terms in the magnetic polarizability β, important role of the Δ resonance in pionic loops, and the effects of non-minimal substitution terms in the effective lagrangian. 3 refs

  13. Napa Earthquake impact on water systems

    Science.gov (United States)

    Wang, J.

    2014-12-01

    South Napa earthquake occurred in Napa, California on August 24 at 3am, local time, and the magnitude is 6.0. The earthquake was the largest in SF Bay Area since the 1989 Loma Prieta earthquake. Economic loss topped $ 1 billion. Wine makers cleaning up and estimated the damage on tourism. Around 15,000 cases of lovely cabernet were pouring into the garden at the Hess Collection. Earthquake potentially raise water pollution risks, could cause water crisis. CA suffered water shortage recent years, and it could be helpful on how to prevent underground/surface water pollution from earthquake. This research gives a clear view on drinking water system in CA, pollution on river systems, as well as estimation on earthquake impact on water supply. The Sacramento-San Joaquin River delta (close to Napa), is the center of the state's water distribution system, delivering fresh water to more than 25 million residents and 3 million acres of farmland. Delta water conveyed through a network of levees is crucial to Southern California. The drought has significantly curtailed water export, and salt water intrusion reduced fresh water outflows. Strong shaking from a nearby earthquake can cause saturated, loose, sandy soils liquefaction, and could potentially damage major delta levee systems near Napa. Napa earthquake is a wake-up call for Southern California. It could potentially damage freshwater supply system.

  14. Polarizability expressions for predicting resonances in plasmonic and Mie scatterers

    Science.gov (United States)

    Colom, Rémi; Devilez, Alexis; Enoch, Stefan; Stout, Brian; Bonod, Nicolas

    2017-06-01

    Polarizability expressions are commonly used in optics and photonics to model light scattering by small particles. Models based on Taylor series of the scattering coefficients of the particles fail to predict the morphologic resonances hosted by dielectric particles. Here we propose to use the factorization of the special functions appearing in the expression of the Mie scattering coefficients to derive pointlike models. These models can be applied to reproduce both Mie resonances of dielectric particles and plasmonic resonances of metallic particles. They provide simple but robust tools to predict accurately the electric and magnetic Mie resonances in dielectric particles.

  15. On the magnetic polarizability tensor of US coinage

    Science.gov (United States)

    Davidson, John L.; Abdel-Rehim, Omar A.; Hu, Peipei; Marsh, Liam A.; O’Toole, Michael D.; Peyton, Anthony J.

    2018-03-01

    The magnetic dipole polarizability tensor of a metallic object gives unique information about the size, shape and electromagnetic properties of the object. In this paper, we present a novel method of coin characterization based on the spectroscopic response of the absolute tensor. The experimental measurements are validated using a combination of tests with a small set of bespoke coin surrogates and simulated data. The method is applied to an uncirculated set of US coins. Measured and simulated spectroscopic tensor responses of the coins show significant differences between different coin denominations. The presented results are encouraging as they strongly demonstrate the ability to characterize coins using an absolute tensor approach.

  16. Calculations of polarizabilities and hyperpolarizabilities for the Be+ ion

    International Nuclear Information System (INIS)

    Tang Liyan; Zhang Junyi; Mitroy, J.; Yan Zongchao; Shi Tingyun; Babb, James F.

    2009-01-01

    The polarizabilities and hyperpolarizabilities of the Be + ion in the 2 2 S state and the 2 2 P state are determined. Calculations are performed using two independent methods: (i) variationally determined wave functions using Hylleraas basis set expansions and (ii) single electron calculations utilizing a frozen-core Hamiltonian. The first few parameters in the long-range interaction potential between a Be + ion and a H, He, or Li atom, and the leading parameters of the effective potential for the high-L Rydberg states of beryllium were also computed. All the values reported are the results of calculations close to convergence. Comparisons are made with published results where available.

  17. Pion and kaon polarizabilities in the quark confinement model

    International Nuclear Information System (INIS)

    Ivanov, M.A.; Mizutani, T.

    1992-01-01

    The quark confinement model (QCM) which is based on quark confinement and the composite nature of hadrons, is applied to the study of electromagnetic polarizabilities of the π and K mesons. The Compton scattering amplitude for pseudoscalar meson in the QCM obtains contributions from the following processes (or diagrams): (1) the photon scattering by a point charge, (2) diagrams which involve only one quark loop, (3) the scalar, vector, and axial meson exchanges. The presence of quark loops in QCM diagrams introduces nontrivial momentum dependences which do not exist in the effective Lagrangian scheme with only meson degrees of freedom

  18. Functional systems of a pressurized water reactor

    International Nuclear Information System (INIS)

    Heinzel, V.

    1982-01-01

    The main topics, discussed in the present paper, are: - Principle design of the reactor coolant system - reactor pressure vessel with internals - containment design - residual heat removal and emergency cooling systems - nuclear component cooling systems - emergency feed water systems - plant electric power supply system. (orig./RW)

  19. Intermolecular polarizabilities in H{sub 2}-rare-gas mixtures (H{sub 2}–He, Ne, Ar, Kr, Xe): Insight from collisional isotropic spectral properties

    Energy Technology Data Exchange (ETDEWEB)

    Głaz, Waldemar, E-mail: glaz@kielich.amu.edu.pl; Bancewicz, Tadeusz [Nonlinear Optics Division, Faculty of Physics, Adam Mickiewicz University, Umultowska 85, 61-614 Poznań (Poland); Godet, Jean-Luc [Laboratoire de photonique d’Angers, Université d’Angers, 2 boulevard Lavoisier, 49045 Angers (France); Gustafsson, Magnus [Department of Chemistry and Molecular Biology, University of Gothenburg, SE 412 96 Gothenburg (Sweden); Maroulis, George; Haskopoulos, Anastasios [Department of Chemistry, University of Patras, GR-26500 Patras (Greece)

    2014-08-21

    The report presents results of theoretical and numerical analysis of the electrical properties related to the isotropic part of the polarizability induced by interactions within compounds built up of a hydrogen H{sub 2} molecule and a set of noble gas atoms, Rg, ranging from the least massive helium up to the heaviest xenon perturber. The Cartesian components of the collisional polarizabilities of the H{sub 2}–Rg systems are found by means of the quantum chemistry methods and their dependence on the intermolecular distance is determined. On the basis of these data, the spherical, symmetry adapted components of the trace polarizability are derived in order to provide data sets that are convenient for evaluating collisional spectral profiles of the isotropic polarized part of light scattered by the H{sub 2}–Rg mixtures. Three independent methods of numerical computing of the spectral intensities are applied at room temperature (295 K). The properties of the roto-translational profiles obtained are discussed in order to determine the role played by contributions corresponding to each of the symmetry adapted parts of the trace polarizability. By spreading the analysis over the collection of the H{sub 2}–Rg systems, evolution of the spectral properties with the growing masses of the supermolecular compounds can be observed.

  20. Intermolecular polarizabilities in H2-rare-gas mixtures (H2-He, Ne, Ar, Kr, Xe): insight from collisional isotropic spectral properties.

    Science.gov (United States)

    Głaz, Waldemar; Bancewicz, Tadeusz; Godet, Jean-Luc; Gustafsson, Magnus; Maroulis, George; Haskopoulos, Anastasios

    2014-08-21

    The report presents results of theoretical and numerical analysis of the electrical properties related to the isotropic part of the polarizability induced by interactions within compounds built up of a hydrogen H2 molecule and a set of noble gas atoms, Rg, ranging from the least massive helium up to the heaviest xenon perturber. The Cartesian components of the collisional polarizabilities of the H2-Rg systems are found by means of the quantum chemistry methods and their dependence on the intermolecular distance is determined. On the basis of these data, the spherical, symmetry adapted components of the trace polarizability are derived in order to provide data sets that are convenient for evaluating collisional spectral profiles of the isotropic polarized part of light scattered by the H2-Rg mixtures. Three independent methods of numerical computing of the spectral intensities are applied at room temperature (295 K). The properties of the roto-translational profiles obtained are discussed in order to determine the role played by contributions corresponding to each of the symmetry adapted parts of the trace polarizability. By spreading the analysis over the collection of the H2-Rg systems, evolution of the spectral properties with the growing masses of the supermolecular compounds can be observed.

  1. Kansas Water Quality Action Targeting System (KATS)

    Data.gov (United States)

    Kansas Data Access and Support Center — This system is a revision of the original KATS system developed in 1990 as a tool to aid resource managers target Kansas valuable and vulnerable water resources for...

  2. A system model for water management.

    Science.gov (United States)

    Schenk, Colin; Roquier, Bastien; Soutter, Marc; Mermoud, André

    2009-03-01

    Although generally accepted as a necessary step to improve water management and planning, integrated water resources management (IWRM) methodology does not provide a clear definition of what should be integrated. The various water-related issues that IWRM might encompass are well documented in the literature, but they are generally addressed separately. Therefore, water management lacks a holistic, systems-based description, with a special emphasis on the interrelations between issues. This article presents such a system model for water management, including a graphical representation and textual descriptions of the various water issues, their components, and their interactions. This model is seen as an aide-memoire and a generic reference, providing background knowledge helping to elicit actual system definitions, in possible combination with other participatory systems approaches. The applicability of the model is demonstrated through its application to two test case studies.

  3. NASA's Plum Brook Station Water Systems

    Science.gov (United States)

    Puzak, Robert M.; Kimpton, Arthur

    2006-01-01

    Plum Brook Station's water systems were built in the 1940s to support a World War II ordnance production complex. Because the systems had not been analyzed for current NASA usage, it was unknown if they could meet current requirements and codes or if they were efficient for current use. NASA wanted to determine what improvements would be needed or advisable to support its research projects, so it contracted a hydraulic analysis of the raw and domestic water systems. Burgess and Niple determined current water demands and water flow, developed and calibrated models of the two water systems, and evaluated efficiency improvements and cost-cutting options. They recommended replacing some water mains, installing a new service connection, and removing some high-maintenance items (an underground reservoir, some booster pumps, and a tower).

  4. Prototype solar domestic hot water systems

    Science.gov (United States)

    1978-01-01

    Construction of a double wall heat exchanger using soft copper tube coiled around a hot water storage tank was completed and preliminary tests were conducted. Solar transport water to tank potable water heat exchange tests were performed with a specially constructed test stand. Work was done to improve the component hardware and system design for the solar water heater. The installation of both a direct feed system and a double wall heat exchanger system provided experience and site data to enable informative decisions to be made as the solar market expands into areas where freeze protection is required.

  5. Solar PV energy for water pumping system

    International Nuclear Information System (INIS)

    Mahar, F.

    1997-01-01

    The paper provides an introduction into understanding the relative merits, characteristics, including economics, of photovoltically powered water pumping systems. Although more than 10,000 photovoltaic pumping systems are known to be operating through out the world, many potential users do not know how to decide weather feasibility assessment, and system procurement so that the reader can made an informed decision about water pumping systems, especially those powered with photovoltaics. (author)

  6. Water Resources Systems Engineering - Cornell University

    OpenAIRE

    Reed, Patrick

    2014-01-01

    Growing concerns about how “change” (climate, land-use, population, etc.) will strain our water resources is motivating the need for the next generation of professionals that can innovate the planning and management of these systems. Course topics build on the legacy of research in the water resources systems area and seek to provide a new generation of planners with an enhanced ability to discover and negotiate the highly uncertain tradeoffs we face in balancing the water resources demands o...

  7. Values Connecting Societies and Water Systems

    NARCIS (Netherlands)

    J.A. van Ast (Jacko); J.J. Bouma (Jan Jaap); M. Bal (Mansee)

    2013-01-01

    markdownabstract__Introduction__ Water systems such as rivers and lakes have many important values for ecosystems and human societies. Both economical, social-ecological, cultural and political values are met by the water systems, connecting different activities in human society and

  8. Alternative Water Systems Project (India) | IDRC - International ...

    International Development Research Centre (IDRC) Digital Library (Canada)

    The Alternative Water Systems Project seeks to develop a point-of-use safe water system incorporating natural plant-derived coagulants, simple sari cloth filtration and chlorine disinfection for the control of waterborne diseases in South Asian slums. This is a technical approach that is simple, inexpensive, makes use of ...

  9. Basics of Solar Heating & Hot Water Systems.

    Science.gov (United States)

    American Inst. of Architects, Washington, DC.

    In presenting the basics of solar heating and hot water systems, this publication is organized from the general to the specific. It begins by presenting functional and operational descriptions of solar heating and domestic hot water systems, outlining the basic concepts and terminology. This is followed by a description of solar energy utilization…

  10. Weak-field Hall effect and static polarizability of Bloch electrons

    Czech Academy of Sciences Publication Activity Database

    Středa, Pavel; Jonckheere, T.

    2009-01-01

    Roč. 79, č. 11 (2009), 115115/1-115115/8 ISSN 1098-0121 R&D Projects: GA ČR GA202/08/0551 Institutional research plan: CEZ:AV0Z10100521 Keywords : Hall effect * magnetization * Bloch electrons electron polarizability * electron polarizability Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.475, year: 2009

  11. The electric double layer at high surface potentials: The influence of excess ion polarizability

    NARCIS (Netherlands)

    Hatlo, M. M.|info:eu-repo/dai/nl/412640678; van Roij, R.H.H.G.|info:eu-repo/dai/nl/152978984; Lue, L.

    2012-01-01

    By including the excess ion polarizability into the Poisson-Boltzmann theory, we show that the decrease in differential capacitance with voltage, observed for metal electrodes above a threshold potential, can be understood in terms of thickening of the double layer due to ion-induced polarizability

  12. Wash water waste pretreatment system

    Science.gov (United States)

    1977-01-01

    Investigations were completed on wash waters based on each candidate personal cleansing agent. Evaluations of coagulants, antifoam agents, and the effect of promising antifoams on the chemical precipitation were included. Based on these evaluations two candidate soaps as well as their companion antifoam agents were selected for further work. Operating parameters included the effect of soap concentration, ferric chloride concentration, duration of mixing, and pore size of depth filters on the degree of soap removal. The effect of pressure on water flow through filter cartridges and on the rate of decline of water flow was also investigated. The culmination of the program was the recommendation of a pretreatment concept based on chemical precipitation followed by pressure filtration.

  13. GPR-Based Water Leak Models in Water Distribution Systems

    Science.gov (United States)

    Ayala-Cabrera, David; Herrera, Manuel; Izquierdo, Joaquín; Ocaña-Levario, Silvia J.; Pérez-García, Rafael

    2013-01-01

    This paper addresses the problem of leakage in water distribution systems through the use of ground penetrating radar (GPR) as a nondestructive method. Laboratory tests are performed to extract features of water leakage from the obtained GPR images. Moreover, a test in a real-world urban system under real conditions is performed. Feature extraction is performed by interpreting GPR images with the support of a pre-processing methodology based on an appropriate combination of statistical methods and multi-agent systems. The results of these tests are presented, interpreted, analyzed and discussed in this paper.

  14. GPR-Based Water Leak Models in Water Distribution Systems

    Directory of Open Access Journals (Sweden)

    David Ayala–Cabrera

    2013-11-01

    Full Text Available This paper addresses the problem of leakage in water distribution systems through the use of ground penetrating radar (GPR as a nondestructive method. Laboratory tests are performed to extract features of water leakage from the obtained GPR images. Moreover, a test in a real-world urban system under real conditions is performed. Feature extraction is performed by interpreting GPR images with the support of a pre-processing methodology based on an appropriate combination of statistical methods and multi-agent systems. The results of these tests are presented, interpreted, analyzed and discussed in this paper.

  15. Submersible purification system for radioactive water

    Science.gov (United States)

    Abbott, Michael L.; Lewis, Donald R.

    1989-01-01

    A portable, submersible water purification system for use in a pool of water containing radioactive contamination includes a prefilter for filtering particulates from the water. A resin bed is then provided for removal of remaining dissolved, particulate, organic, and colloidal impurities from the prefiltered water. A sterilizer then sterilizes the water. The prefilter and resin bed are suitably contained and are submerged in the pool. The sterilizer is water tight and located at the surface of the pool. The water is circulated from the pool through the prefilter, resin bed, and sterilizer by suitable pump or the like. In the preferred embodiment, the resin bed is contained within a tank which stands on the bottom of the pool and to which a base mounting the prefilter and pump is attached. An inlet for the pump is provided adjacent the bottom of the pool, while the sterilizer and outlet for the system is located adjacent the top of the pool.

  16. Effect of water source pollution on the water quality of Shanghai water supply system.

    Science.gov (United States)

    Bai, Xiaohui; Zhang, Xiaohong; Sun, Qun; Wang, Xinze; Zhu, Bin

    2006-01-01

    The paper describes the quality of water source in Shanghai, China and its water supply system. The effect of purification by traditional water treatment process and the effluent biological stability were evaluated by measuring quality parameters in the water supply system. The data showed that the main pollutants in the water source of Huangpu River were organics and ammonia. The conventional water treatment process is not effective to remove these pollutants. Concentrations of nitrite, nitrate, ammonia and UV254 are affected by the water distribution system (DS). The effect is more obvious especially for nitrate and UV254. In addition, the turbidity and chroma increased along the water supply system. The data obtained in this study show the extent of biological instability of drinking water in Shanghai.

  17. Preoperational test report, raw water system

    Energy Technology Data Exchange (ETDEWEB)

    Clifton, F.T.

    1997-10-29

    This represents the preoperational test report for the Raw Water System, Project W-030. Project W-030 provides a ventilation upgrade for the four Aging Waste Facility tanks. The system supplies makeup water to the W-030 recirculation evaporative cooling towers for tanks AY1O1, AY102, AZ1O1, AZ102. The Raw Water pipe riser and associated strainer and valving is located in the W-030 diesel generator building. The tests verify correct system operation and correct indications displayed by the central Monitor and Control System.

  18. Preoperational test report, raw water system

    International Nuclear Information System (INIS)

    Clifton, F.T.

    1997-01-01

    This represents the preoperational test report for the Raw Water System, Project W-030. Project W-030 provides a ventilation upgrade for the four Aging Waste Facility tanks. The system supplies makeup water to the W-030 recirculation evaporative cooling towers for tanks AY1O1, AY102, AZ1O1, AZ102. The Raw Water pipe riser and associated strainer and valving is located in the W-030 diesel generator building. The tests verify correct system operation and correct indications displayed by the central Monitor and Control System

  19. A water quality monitoring system for HAWC

    Science.gov (United States)

    Garfias, F.; Bernal, A.; Tinoco, S.; Iriarte, A.

    2012-09-01

    HAWC (High Altitude Water Cherenkov), is a gamma ray (γ) large aperture observatory with high sensitivity that will be able to continuously monitor the sky for transient sources of photons with energies between 100 GeV and 100 TeV. HAWC is under construction in Sierra Negra, Puebla, Mexico, which is located at a high altitude of 4100m. HAWC will be an array of 300 Cherenkov detectors each one with 200,000 liters of highly pure water. The sensitivity of the instrument depends strongly on the water quality. We present the design and construction of the HAWC water quality monitoring system. We seek monitor the transparency in violet-blue range to achieve and maintain the required water transparency quality in each detector. The system is robust and user friendly. The measurements are reproducible. Also we present some results from the monitoring the water from the VAMOS detector tanks and of the filtering system.

  20. Enhancement of polarizabilities of cylinders with cylinder-slab resonances.

    Science.gov (United States)

    Xiao, Meng; Huang, Xueqin; Liu, H; Chan, C T

    2015-02-02

    If an object is very small in size compared with the wavelength of light, it does not scatter light efficiently. It is hence difficult to detect a very small object with light. We show using analytic theory as well as full wave numerical calculation that the effective polarizability of a small cylinder can be greatly enhanced by coupling it with a superlens type metamaterial slab. This kind of enhancement is not due to the individual resonance effect of the metamaterial slab, nor due to that of the object, but is caused by a collective resonant mode between the cylinder and the slab. We show that this type of particle-slab resonance which makes a small two-dimensional object much "brighter" is actually closely related to the reverse effect known in the literature as "cloaking by anomalous resonance" which can make a small cylinder undetectable. We also show that the enhancement of polarizability can lead to strongly enhanced electromagnetic forces that can be attractive or repulsive, depending on the material properties of the cylinder.

  1. Lithium photoionization cross-section and dynamic polarizability using square integrable basis sets and correlated wave functions

    International Nuclear Information System (INIS)

    Hollauer, E.; Nascimento, M.A.C.

    1985-01-01

    The photoionization cross-section and dynamic polarizability for lithium atom are calculated using a discrete basis set to represent both the bound and the continuum-states of the atom, to construct an approximation to the dynamic polarizability. From the imaginary part of the complex dynamic polarizability one extracts the photoionization cross-section and from its real part the dynamic polarizability. The results are in good agreement with the experiments and other more elaborate calculations (Author) [pt

  2. Water hammer analysis in a water distribution system

    Directory of Open Access Journals (Sweden)

    John Twyman

    2017-04-01

    Full Text Available The solution to water hammer in a water distribution system (WDS is shown by applying three hybrid methods (HM based on the Box’s scheme, McCormack's method and Diffusive Scheme. Each HM formulation in conjunction with their relative advantages and disadvantages are reviewed. The analyzed WDS has pipes with different lengths, diameters and wave speeds, being the Courant number different in each pipe according to the adopted discretization. The HM results are compared with the results obtained by the Method of Characteristics (MOC. In reviewing the numerical attenuation, second order schemes based on Box and McCormack are more conservative from a numerical point of view, being recommendable their application in the analysis of water hammer in water distribution systems.

  3. Screening reactor steam/water piping systems for water hammer

    International Nuclear Information System (INIS)

    Griffith, P.

    1997-09-01

    A steam/water system possessing a certain combination of thermal, hydraulic and operational states, can, in certain geometries, lead to a steam bubble collapse induced water hammer. These states, operations, and geometries are identified. A procedure that can be used for identifying whether an unbuilt reactor system is prone to water hammer is proposed. For the most common water hammer, steam bubble collapse induced water hammer, six conditions must be met in order for one to occur. These are: (1) the pipe must be almost horizontal; (2) the subcooling must be greater than 20 C; (3) the L/D must be greater than 24; (4) the velocity must be low enough so that the pipe does not run full, i.e., the Froude number must be less than one; (5) there should be void nearby; (6) the pressure must be high enough so that significant damage occurs, that is the pressure should be above 10 atmospheres. Recommendations on how to avoid this kind of water hammer in both the design and the operation of the reactor system are made

  4. AP1000 service water system availability analysis in Sanmen NPP

    International Nuclear Information System (INIS)

    Kong Weijie

    2015-01-01

    Service water system operation requirements and circulate water system maintenance needs are analyzed, and it is determined that the circulate water system maintenance will result in the availability of service water pumps. Solutions are proposed to resolve the conflicts between the circulate water system maintenance and the service water system availability, that will improve the safety and economy of the plant. (authors)

  5. Biofilm formation in a hot water system

    DEFF Research Database (Denmark)

    Bagh, L.K.; Albrechtsen, Hans-Jørgen; Arvin, Erik

    2002-01-01

    a higher level in the hot water distribution system (2.1 d–1 to 2.3 d–1) than in the hot water tank (1.4 d–1 to 2.2 d–1) indicating an important area for surface associated growth. The net growth rate of the suspended bacteria measured in hot water from the top, middle and bottom of the hot water tank......The biofilm formation rate was measured in situ in a hot water system in an apartment building by specially designed sampling equipment, and the net growth of the suspended bacteria was measured by incubation of water samples with the indigeneous bacteria. The biofilm formation rate reached......, in the sludge, or in the water from the distribution system was negligible. This indicated that bacterial growth took place on the inner surfaces in the hot water system and biofilm formation and detachment of bacteria could account for most of the suspended bacteria actually measured in hot water. Therefore...

  6. A Polarizable and Transferable PHAST CO 2 Potential for Materials Simulation

    KAUST Repository

    Mullen, Ashley L.

    2013-12-10

    Reliable PHAST (Potentials with High Accuracy Speed and Transferability) intermolecular potential energy functions for CO2 have been developed from first principles for use in heterogeneous systems, including one with explicit polarization. The intermolecular potentials have been expressed in a transferable form and parametrized from nearly exact electronic structure calculations. Models with and without explicit many-body polarization effects, known to be important in simulation of interfacial processes, are constructed. The models have been validated on pressure-density isotherms of bulk CO 2 and adsorption in three metal-organic framework (MOF) materials. The present models appear to offer advantages over high quality fluid/liquid state potentials in describing CO2 interactions in interfacial environments where sorbates adopt orientations not commonly explored in bulk fluids. Thus, the nonpolar CO2-PHAST and polarizable CO 2-PHAST* potentials are recommended for materials/interfacial simulations. © 2013 American Chemical Society.

  7. Performance Analysis of Photovoltaic Water Heating System

    Directory of Open Access Journals (Sweden)

    Tomas Matuska

    2017-01-01

    Full Text Available Performance of solar photovoltaic water heating systems with direct coupling of PV array to DC resistive heating elements has been studied and compared with solar photothermal systems. An analysis of optimum fixed load resistance for different climate conditions has been performed for simple PV heating systems. The optimum value of the fixed load resistance depends on the climate, especially on annual solar irradiation level. Use of maximum power point tracking compared to fixed optimized load resistance increases the annual yield by 20 to 35%. While total annual efficiency of the PV water heating systems in Europe ranges from 10% for PV systems without MPP tracking up to 15% for system with advanced MPP trackers, the efficiency of solar photothermal system for identical hot water load and climate conditions is more than 3 times higher.

  8. Water masers in the Kronian system

    NARCIS (Netherlands)

    Pogrebenko, Sergei V.; Gurvits, Leonid I.; Elitzur, Moshe; Cosmovici, Cristiano B.; Avruch, Ian M.; Pluchino, Salvatore; Montebugnoli, Stelio; Salerno, Emma; Maccaferri, Giuseppe; Mujunen, Ari; Ritakari, Jouko; Molera, Guifre; Wagner, Jan; Uunila, Minttu; Cimo, Giuseppe; Schilliro, Francesco; Bartolini, Marco; Fernández, J. A.; Lazzaro, D.; Prialnik, D.; Schulz, R.

    2010-01-01

    The presence of water has been considered for a long time as a key condition for life in planetary environments. The Cassini mission discovered water vapour in the Kronian system by detecting absorption of UV emission from a background star (Hansen et al. 2006). Prompted by this discovery, we

  9. Residential hot water distribution systems: Roundtablesession

    Energy Technology Data Exchange (ETDEWEB)

    Lutz, James D.; Klein, Gary; Springer, David; Howard, Bion D.

    2002-08-01

    Residential building practice currently ignores the lossesof energy and water caused by the poor design of hot water systems. Theselosses include: combustion and standby losses from water heaters, thewaste of water (and energy) while waiting for hot water to get to thepoint of use; the wasted heat as water cools down in the distributionsystem after a draw; heat losses from recirculation systems and thediscarded warmth of waste water as it runs down the drain. Severaltechnologies are available that save energy (and water) by reducing theselosses or by passively recovering heat from wastewater streams and othersources. Energy savings from some individual technologies are reported tobe as much as 30 percent. Savings calculations of prototype systemsincluding bundles of technologies have been reported above 50 percent.This roundtable session will describe the current practices, summarizethe results of past and ongoing studies, discuss ways to think about hotwater system efficiency, and point to areas of future study. We will alsorecommend further steps to reduce unnecessary losses from hot waterdistribution systems.

  10. Life Support Systems: Wastewater Processing and Water Management

    Data.gov (United States)

    National Aeronautics and Space Administration — Advanced Exploration Systems (AES) Life Support Systems project Wastewater Processing and Water Management task: Within an integrated life support system, water...

  11. Surface Waters Information Management System (SWIMS)

    Data.gov (United States)

    Kansas Data Access and Support Center — The Surface Waters Information Management System (SWIMS) has been designed to meet multi-agency hydrologic database needs for Kansas. The SWIMS project was supported...

  12. Cold Vacuum Drying facility potable water system design description

    International Nuclear Information System (INIS)

    PITKOFF, C.C.

    1999-01-01

    This document describes the Cold Vacuum Drying Facility (CVDF) potable water (PW) system. The PW system provides potable water to the CVDF for supply to sinks, water closets, urinals, showers, custodial service sinks, drinking fountains, the decontamination shower, supply water to the non-PW systems, and makeup water for the de-ionized water system

  13. Polarizability extraction of complementary metamaterial elements in waveguides for aperture modeling

    Science.gov (United States)

    Pulido-Mancera, Laura; Bowen, Patrick T.; Imani, Mohammadreza F.; Kundtz, Nathan; Smith, David

    2017-12-01

    We consider the design and modeling of metasurfaces that couple energy from guided waves to propagating wave fronts. To this purpose, we develop a comprehensive, multiscale dipolar interpretation for large arrays of complementary metamaterial elements embedded in a waveguide structure. Within this modeling technique, the detailed electromagnetic response of each metamaterial element is replaced by a polarizable dipole, described by means of an effective polarizability. In this paper, we present two methods to extract this effective polarizability. The first method invokes surface equivalence principles, averaging over the effective surface currents and charges induced in the element's surface in order to obtain the effective dipole moments, from which the effective polarizability can be inferred. The second method is based in the coupled-mode theory, from which a direct relationship between the effective polarizability and the amplitude coefficients of the scattered waves can be deduced. We demonstrate these methods on several variants of waveguide-fed metasurface elements (both one- and two-dimensional waveguides), finding excellent agreement between the two, as well as with the analytical expressions derived for circular and elliptical irises. With the effective polarizabilities of the metamaterial elements accurately determined, the radiated fields generated by a waveguide-fed metasurface can be found self-consistently by including the interactions between polarizable dipoles. The dipole description provides an effective perspective and computational framework for engineering metasurface structures such as holograms, lenses, and beam-forming arrays, among others.

  14. Multipolar Polarizabilities and Hyperpolarizabilities in the Sr Optical Lattice Clock

    Science.gov (United States)

    Porsev, S. G.; Safronova, M. S.; Safronova, U. I.; Kozlov, M. G.

    2018-02-01

    We address the problem of the lattice Stark shifts in the Sr clock caused by the multipolar M 1 and E 2 atom-field interactions and by the term nonlinear in lattice intensity and determined by the hyperpolarizability. We develop an approach to calculate hyperpolarizabilities for atoms and ions based on a solution of the inhomogeneous equation which allows us to effectively and accurately carry out complete summations over intermediate states. We apply our method to the calculation of the hyperpolarizabilities for the clock states in Sr. We also carry out an accurate calculation of the multipolar polarizabilities for these states at the magic frequency. Understanding these Stark shifts in optical lattice clocks is crucial for further improvement of the clock accuracy.

  15. Dipole moment and polarizability of impurity doped quantum dots under anisotropy, spatially-varying effective mass and dielectric screening function: Interplay with noise

    Science.gov (United States)

    Ghosh, Anuja; Ghosh, Manas

    2018-01-01

    Present work explores the profiles of polarizability (αp) and electric dipole moment (μ) of impurity doped GaAs quantum dot (QD) under the aegis of spatially-varying effective mass, spatially-varying dielectric constant and anisotropy of the system. Presence of noise has also been invoked to examine how its intervention further tunes αp and μ. Noise term maintains a Gaussian white feature and it has been incorporated to the system through two different roadways; additive and multiplicative. The various facets of influence of spatially-varying effective mass, spatially-varying dielectric constant and anisotropy on αp and μ depend quite delicately on presence/absence of noise and also on the mode through which noise has been administered. The outcomes of the study manifest viable routes to harness the dipole moment and polarizability of doped QD system through the interplay between noise, anisotropy and variable effective mass and dielectric constant of the system.

  16. Microbiology of the Space Shuttle water system.

    Science.gov (United States)

    Koenig, D W; Pierson, D L

    1997-01-01

    The Space Shuttle has a once-through water system that is initially filled on the ground, partially drained before launch and then refilled with fuel-cell generated water on orbit. The microbiological standard for the Space Shuttle potable water system during this study period allowed only 1 microbe of any kind per l00mL and no detectable coliforms. Contamination episodes in more than 15 years of Shuttle operation have been rare; however, for the past 24 missions, bacterial contamination has been detected in 33% of the samples collected 3d before launch. These samples have had on average 55CFU/100mL of bacteria, with the median less than 1CFU/100mL. Burkholderia cepacia has been the primary contaminant of the Shuttle water supply system both before and after flight. Water samples assessed during the STS-70 mission aboard the Space Shuttle Discovery were found to be contaminated (Space Shuttle Columbia and the waste lines were found to harbor biofilms containing Bacillus spp. Nevertheless, the water systems of the four Space Shuttle vehicles provide extremely pure water.

  17. Small Drinking Water Systems Research and Development ...

    Science.gov (United States)

    In the United States, there are 152,002 public water systems (PWS) in operation. Of these, 97% are considered small systems under the Safe Drinking Water Act (SDWA)—meaning they serve 10,000 or fewer people. While many of these small systems consistently provide safe, reliable drinking water to their customers, many face a number of challenges in their ability to achieve and maintain system sustainability. Some of these include high operator turnover, aging infrastructure, and lack of financial resources. Oftentimes, small communities and their state primacy agencies are reluctant to use novel approaches to drinking water challenges because they may have hidden costs or result in unforeseen health consequences for the community. EPA’s Office of Research and Development is helping to build confidence in innovative treatment technologies and approaches by conducting research that small communities, including tribal communities, and state primacy agencies can rely on to successfully remove contaminants of interest, without compromising the overall sustainability of their system. To share EPA's small drinking water systems research with the states, small systems, and the public.

  18. Upgrades to the ISS Water Recovery System

    Science.gov (United States)

    Kayatin, Matthew J.; Carter, Donald L.; Schunk, Richard G.; Pruitt, Jennifer M.

    2016-01-01

    The International Space Station Water Recovery System (WRS) is comprised of the Water Processor Assembly (WPA) and the Urine Processor Assembly (UPA). The WRS produces potable water from a combination of crew urine (first processed through the UPA), crew latent, and Sabatier product water. Though the WRS has performed well since operations began in November 2008, several modifications have been identified to improve the overall system performance. These modifications can reduce resupply and improve overall system reliability, which is beneficial for the ongoing ISS mission as well as for future NASA manned missions. The following paper details efforts to reduce the resupply mass of the WPA Multifiltration Bed, develop improved catalyst for the WPA Catalytic Reactor, evaluate optimum operation of UPA through parametric testing, and improve reliability of the UPA fluids pump and Distillation Assembly.

  19. Hanford 200 area (sanitary) waste water system

    International Nuclear Information System (INIS)

    Danch, D.A.; Gay, A.E.

    1994-09-01

    The US Department of Energy (DOE) Hanford Site is located in southeastern Washington State. The Hanford Site is approximately 1,450 sq. km (560 sq. mi) of semiarid land set aside for activities of the DOE. The reactor fuel processing and waste management facilities are located in the 200 Areas. Over the last 50 years at Hanford dicard of hazardous and sanitary waste water has resulted in billions of liters of waste water discharged to the ground. As part of the TPA, discharges of hazardous waste water to the ground and waters of Washington State are to be eliminated in 1995. Currently sanitary waste water from the 200 Area Plateau is handled with on-site septic tank and subsurface disposal systems, many of which were constructed in the 1940s and most do not meet current standards. Features unique to the proposed new sanitary waste water handling systems include: (1) cost effective operation of the treatment system as evaporative lagoons with state-of-the-art liner systems, and (2) routing collection lines to avoid historic contamination zones. The paper focuses on the challenges met in planning and designing the collection system

  20. Theoretical studies of the global minima and polarizabilities of small lithium clusters

    Energy Technology Data Exchange (ETDEWEB)

    Hu, Hanshi; Zhao, Ya-Fan; Hammond, Jeffrey R.; Bylaska, Eric J.; Apra, Edoardo; van Dam, Hubertus JJ; Li, Jun; Govind, Niranjan; Kowalski, Karol

    2016-01-16

    Lithium clusters Lin (n=1-20) have been investigated with density functional theory (DFT) and coupled—cluster (CC) methods. The global-minimum structures are located via an improved basin---hopping algorithm and the lowest energy Lin isomers are confirmed with DFT geometry optimizations, CCSD(T) energy calculations, and by comparing simulated and experimental polarizabilities. The tetrahedral Li4 structure is found to be the basic building block of lithium clusters Lin (n=6-20). Simulated polarizabilities, including thermal effects at room temperature, are in good agreement with measured isotropic polarizabilities.

  1. Amoxicillin in a biological water recovery system

    Energy Technology Data Exchange (ETDEWEB)

    Morse, A.; Jackson, A.; Rainwater, K. [Texas Tech Univ., Water Resources Center, Lubbock, Texas (United States); Pickering, K. [Johnson Space Center, NASA, Houston, Texas (United States)

    2002-06-15

    Pharmaceuticals are new contaminants of concern in the aquatic environment, having been identified in groundwater, surface water, and residential tap water. Possible sources of pharmaceuticals include household wastewaters, runoff from feedlots, or waste discharges from pharmaceutical manufacturing plants. When surface water or groundwater supplies impacted by pharmaceuticals are used in drinking water production, the contaminants may reduce drinking water quality. Many pharmaceuticals, such as amoxicillin, pass through the body largely unmetabolized and directly enter wastewater collection systems. Pharmaceuticals are designed to persist in the body long enough to have the desired therapeutic effect. Therefore, they may also have the ability to persist in the environment (Seiler et al, 1999). The purpose of this work is to determine the overall transformation potential of a candidate pharmaceutical in wastewater treatment with specific emphasis on recycle systems. Amoxicillin is the selected pharmaceutical agent, an orally absorbed broad-spectrum antibiotic with a variety of clinical uses including ear, nose, and throat infections and lower respiratory tract infections. Experiments were conducted using an anaerobic reactor (with NO{sub 3}{sup -} and NO{sub 2}{sup -} as the e{sup -} acceptors) followed by a two-phase nitrifying tubular reactor. Influent composed of water, urine and surfactant was spiked with amoxicillin and fed into the wastewater recycle system. The concentration of amoxicillin in the feed and effluent was quantified using an HPLC. Results from this study include potential for long-term buildup in recycled systems, accumulation of breakdown products and possible transfer of antibiotic resistance to microorganisms in the system effluent. In addition, the results of this study may provide information on contamination potential for communities that are considering supplementing drinking water supplies with recovered wastewater or for entities

  2. Amoxicillin in a biological water recovery system

    International Nuclear Information System (INIS)

    Morse, A.; Jackson, A.; Rainwater, K.; Pickering, K.

    2002-01-01

    Pharmaceuticals are new contaminants of concern in the aquatic environment, having been identified in groundwater, surface water, and residential tap water. Possible sources of pharmaceuticals include household wastewaters, runoff from feedlots, or waste discharges from pharmaceutical manufacturing plants. When surface water or groundwater supplies impacted by pharmaceuticals are used in drinking water production, the contaminants may reduce drinking water quality. Many pharmaceuticals, such as amoxicillin, pass through the body largely unmetabolized and directly enter wastewater collection systems. Pharmaceuticals are designed to persist in the body long enough to have the desired therapeutic effect. Therefore, they may also have the ability to persist in the environment (Seiler et al, 1999). The purpose of this work is to determine the overall transformation potential of a candidate pharmaceutical in wastewater treatment with specific emphasis on recycle systems. Amoxicillin is the selected pharmaceutical agent, an orally absorbed broad-spectrum antibiotic with a variety of clinical uses including ear, nose, and throat infections and lower respiratory tract infections. Experiments were conducted using an anaerobic reactor (with NO 3 - and NO 2 - as the e - acceptors) followed by a two-phase nitrifying tubular reactor. Influent composed of water, urine and surfactant was spiked with amoxicillin and fed into the wastewater recycle system. The concentration of amoxicillin in the feed and effluent was quantified using an HPLC. Results from this study include potential for long-term buildup in recycled systems, accumulation of breakdown products and possible transfer of antibiotic resistance to microorganisms in the system effluent. In addition, the results of this study may provide information on contamination potential for communities that are considering supplementing drinking water supplies with recovered wastewater or for entities considering a closed loop

  3. Modelling transitions in urban water systems.

    Science.gov (United States)

    Rauch, W; Urich, C; Bach, P M; Rogers, B C; de Haan, F J; Brown, R R; Mair, M; McCarthy, D T; Kleidorfer, M; Sitzenfrei, R; Deletic, A

    2017-12-01

    Long term planning of urban water infrastructure requires acknowledgement that transitions in the water system are driven by changes in the urban environment, as well as societal dynamics. Inherent to the complexity of these underlying processes is that the dynamics of a system's evolution cannot be explained by linear cause-effect relationships and cannot be predicted under narrow sets of assumptions. Planning therefore needs to consider the functional behaviour and performance of integrated flexible infrastructure systems under a wide range of future conditions. This paper presents the first step towards a new generation of integrated planning tools that take such an exploratory planning approach. The spatially explicit model, denoted DAnCE4Water, integrates urban development patterns, water infrastructure changes and the dynamics of socio-institutional changes. While the individual components of the DAnCE4Water model (i.e. modules for simulation of urban development, societal dynamics and evolution/performance of water infrastructure) have been developed elsewhere, this paper presents their integration into a single model. We explain the modelling framework of DAnCE4Water, its potential utility and its software implementation. The integrated model is validated for the case study of an urban catchment located in Melbourne, Australia. Copyright © 2017 Elsevier Ltd. All rights reserved.

  4. Distilled Water Distribution Systems. Laboratory Design Notes.

    Science.gov (United States)

    Sell, J.C.

    Factors concerning water distribution systems, including an evaluation of materials and a recommendation of materials best suited for service in typical facilities are discussed. Several installations are discussed in an effort to bring out typical features in selected applications. The following system types are included--(1) industrial…

  5. Installed water resource modelling systems for catchment ...

    African Journals Online (AJOL)

    Following international trends there are a growing number of modelling systems being installed for integrated water resource management, in Southern Africa. Such systems are likely to be installed for operational use in ongoing learning, research, strategic planning and consensus-building amongst stakeholders in the ...

  6. TORR system polishes oily water clean

    International Nuclear Information System (INIS)

    Mowers, J.

    2002-01-01

    The TORR (total oil recovery and remediation) system utilizes a specially patented polymer material, similar to styrofoam, which is used to get rid of non-soluble hydrocarbons from water. An application in Fort Smith, Northwest Territories, is described where it was used to recover diesel oil, which had been seeping into the groundwater over a period of 20 years. About 100,000 gallons of heating oil had leached into the water; TORR removed the non-soluble hydrocarbons, while another piece of equipment removed the soluble portions. After treatment the water tested consistently at non-detectable levels and was clean enough to be discharged into the town's sewer system. The system is considered ideal for oil spills clean-up underground, onshore, or the open sea, but it also has many potentially useful applications in industrial and oilfield applications. Water used in steam injection and water floods to produce heavy oil and SAGD applications are some of the obvious ones that come to mind. Cleaning up the huge tailings ponds at the mining and processing of oil sands, and removing diluent from water that is used to thin out bitumen in pipelines so that it can be transported to processing plants, are other promising areas of application. Several field trials to test the effectiveness of the system in these type of applications are scheduled for the summer and fall of 2002

  7. Water quality control system and water quality control method

    International Nuclear Information System (INIS)

    Itsumi, Sachio; Ichikawa, Nagayoshi; Uruma, Hiroshi; Yamada, Kazuya; Seki, Shuji

    1998-01-01

    In the water quality control system of the present invention, portions in contact with water comprise a metal material having a controlled content of iron or chromium, and the chromium content on the surface is increased than that of mother material in a state where compression stresses remain on the surface by mechanical polishing to form an uniform corrosion resistant coating film. In addition, equipments and/or pipelines to which a material controlling corrosion potential stably is applied on the surface are used. There are disposed a cleaning device made of a material less forming impurities, and detecting intrusion of impurities and removing them selectively depending on chemical species and/or a cleaning device for recovering drain from various kinds of equipment to feedwater, connecting a feedwater pipeline and a condensate pipeline and removing impurities and corrosion products. Then, water can be kept to neutral purified water, and the concentrations of oxygen and hydrogen in water are controlled within an optimum range to suppress occurrence of corrosion products. (N.H.)

  8. Radon in water aeration system operational performance

    International Nuclear Information System (INIS)

    Lamarre, B.L.

    1990-01-01

    North East Environmental Products, Inc. is a manufacturer of residential scale aeration systems for removal of radon and volatile organic chemicals from private water supplies. This paper is a review of the operational history of residential scale point of entry (POE) radon aeration systems. Emphasis is placed on the difficulties and solutions encountered in actual installations caused by both mechanical difficulties and water quality parameters. A summary of radon reduction efficiency is presented for wells with radon concentrations from 21,000 to 2,600,000 pCi/L. A discussion of customer concerns and attitudes is presented along with other areas for further technical improvement. Training techniques for dealers and installers are also discussed. An update of the current status of the radon in water industry includes current sales volumes as compared to the potential market and an update on the radon in water MCL standard setting process from an industry perspective

  9. Energy optimization of water distribution system

    Energy Technology Data Exchange (ETDEWEB)

    1993-02-01

    In order to analyze pump operating scenarios for the system with the computer model, information on existing pumping equipment and the distribution system was collected. The information includes the following: component description and design criteria for line booster stations, booster stations with reservoirs, and high lift pumps at the water treatment plants; daily operations data for 1988; annual reports from fiscal year 1987/1988 to fiscal year 1991/1992; and a 1985 calibrated KYPIPE computer model of DWSD`s water distribution system which included input data for the maximum hour and average day demands on the system for that year. This information has been used to produce the inventory database of the system and will be used to develop the computer program to analyze the system.

  10. Smart Water Conservation System for Irrigated Landscape

    Science.gov (United States)

    2016-05-01

    conclusion of the monitoring phase, turf specialists from California State University, Fresno determined the appearance of the smart plot was slightly less...studies conducted on farms in California that demonstrate activities that: 1) lead to more efficient applied water use or enhance water quality; 2...irrigation audit of the sprinklers systems was conducted by the Center for Irrigation Technology (CIT), California State University, Fresno to ensure the

  11. Performance Analysis of Photovoltaic Water Heating System

    OpenAIRE

    Matuska, Tomas; Sourek, Borivoj

    2017-01-01

    Performance of solar photovoltaic water heating systems with direct coupling of PV array to DC resistive heating elements has been studied and compared with solar photothermal systems. An analysis of optimum fixed load resistance for different climate conditions has been performed for simple PV heating systems. The optimum value of the fixed load resistance depends on the climate, especially on annual solar irradiation level. Use of maximum power point tracking compared to fixed optimized loa...

  12. Assessment of water supply system and water quality of Lighvan village using water safety plan

    Directory of Open Access Journals (Sweden)

    Mojtaba Pourakbar

    2015-12-01

    Full Text Available Background: Continuous expansion of potable water pollution sources is one of the main concerns of water suppliers, therefore measures such as water safety plan (WSP, have been taken into account to control these sources of pollution. The aim of this study was to identify probable risks and threatening hazards to drinking water quality in Lighvan village along with assessment of bank filtration of the village. Methods: In the present study all risks and probable hazards were identified and ranked. For each of these cases, practical suggestions for removing or controlling them were given. To assess potable water quality in Lighvan village, sampling was done from different parts of the village and physicochemical parameters were measured. To assess the efficiency of bank filtration system of the village, independent t test was used to compare average values of parameters in river and treated water. Results: One of the probable sources of pollution in this study was domestic wastewater which threatens water quality. The results of this study show that bank filtration efficiency in water supply of the village is acceptable. Conclusion: Although Bank filtration imposes fewer expenses on governments, it provides suitable water for drinking and other uses. However, it should be noted that application of these systems should be done after a thorough study of water pollution level, types of water pollutants, soil properties of the area, soil percolation and system distance from pollutant sources.

  13. Automated property optimization via ab initio O(N) elongation method: Application to (hyper-)polarizability in DNA

    International Nuclear Information System (INIS)

    Orimoto, Yuuichi; Aoki, Yuriko

    2016-01-01

    An automated property optimization method was developed based on the ab initio O(N) elongation (ELG) method and applied to the optimization of nonlinear optical (NLO) properties in DNA as a first test. The ELG method mimics a polymerization reaction on a computer, and the reaction terminal of a starting cluster is attacked by monomers sequentially to elongate the electronic structure of the system by solving in each step a limited space including the terminal (localized molecular orbitals at the terminal) and monomer. The ELG-finite field (ELG-FF) method for calculating (hyper-)polarizabilities was used as the engine program of the optimization method, and it was found to show linear scaling efficiency while maintaining high computational accuracy for a random sequenced DNA model. Furthermore, the self-consistent field convergence was significantly improved by using the ELG-FF method compared with a conventional method, and it can lead to more feasible NLO property values in the FF treatment. The automated optimization method successfully chose an appropriate base pair from four base pairs (A, T, G, and C) for each elongation step according to an evaluation function. From test optimizations for the first order hyper-polarizability (β) in DNA, a substantial difference was observed depending on optimization conditions between “choose-maximum” (choose a base pair giving the maximum β for each step) and “choose-minimum” (choose a base pair giving the minimum β). In contrast, there was an ambiguous difference between these conditions for optimizing the second order hyper-polarizability (γ) because of the small absolute value of γ and the limitation of numerical differential calculations in the FF method. It can be concluded that the ab initio level property optimization method introduced here can be an effective step towards an advanced computer aided material design method as long as the numerical limitation of the FF method is taken into account.

  14. Guidelines for Transient Analysis in Water Transmission and Distribution Systems

    OpenAIRE

    Pothof, Ivo; Karney, Bryan

    2012-01-01

    All water systems leak, and many supply systems do so considerably, with water losses typically of approximately 20% of the water production. The IWA Water Loss Task Force aims for a significant reduction of annual water losses by drafting documents to assist practitioners and others to prevent, monitor and mitigate water losses in water transmission and distribution systems. One of the causes of water losses are transient phenomena, caused by normal and accidental pump and valve operations. ...

  15. Conduction of molecular electronic devices: Qualitative insights through atom-atom polarizabilities

    International Nuclear Information System (INIS)

    Stuyver, T.; Fias, S.; De Proft, F.; Geerlings, P.; Fowler, P. W.

    2015-01-01

    The atom-atom polarizability and the transmission probability at the Fermi level, as obtained through the source-and-sink-potential method for every possible configuration of contacts simultaneously, are compared for polycyclic aromatic compounds. This comparison leads to the conjecture that a positive atom-atom polarizability is a necessary condition for transmission to take place in alternant hydrocarbons without non-bonding orbitals and that the relative transmission probability for different configurations of the contacts can be predicted by analyzing the corresponding atom-atom polarizability. A theoretical link between the two considered properties is derived, leading to a mathematical explanation for the observed trends for transmission based on the atom-atom polarizability

  16. Conduction of molecular electronic devices: qualitative insights through atom-atom polarizabilities.

    Science.gov (United States)

    Stuyver, T; Fias, S; De Proft, F; Fowler, P W; Geerlings, P

    2015-03-07

    The atom-atom polarizability and the transmission probability at the Fermi level, as obtained through the source-and-sink-potential method for every possible configuration of contacts simultaneously, are compared for polycyclic aromatic compounds. This comparison leads to the conjecture that a positive atom-atom polarizability is a necessary condition for transmission to take place in alternant hydrocarbons without non-bonding orbitals and that the relative transmission probability for different configurations of the contacts can be predicted by analyzing the corresponding atom-atom polarizability. A theoretical link between the two considered properties is derived, leading to a mathematical explanation for the observed trends for transmission based on the atom-atom polarizability.

  17. Conduction of molecular electronic devices: Qualitative insights through atom-atom polarizabilities

    Energy Technology Data Exchange (ETDEWEB)

    Stuyver, T.; Fias, S., E-mail: sfias@vub.ac.be; De Proft, F.; Geerlings, P. [ALGC, Vrije Universiteit Brussel, Pleinlaan 2, 1050 Brussel (Belgium); Fowler, P. W. [Department of Chemistry, University of Sheffield, Sheffield S3 7HF (United Kingdom)

    2015-03-07

    The atom-atom polarizability and the transmission probability at the Fermi level, as obtained through the source-and-sink-potential method for every possible configuration of contacts simultaneously, are compared for polycyclic aromatic compounds. This comparison leads to the conjecture that a positive atom-atom polarizability is a necessary condition for transmission to take place in alternant hydrocarbons without non-bonding orbitals and that the relative transmission probability for different configurations of the contacts can be predicted by analyzing the corresponding atom-atom polarizability. A theoretical link between the two considered properties is derived, leading to a mathematical explanation for the observed trends for transmission based on the atom-atom polarizability.

  18. Electric birefringence and streaming-electric birefringence of synthesized imogolite: the anisotropy of electric polarizability.

    Science.gov (United States)

    Matsumoto, Mitsuhiro; Koibuchi, Sae; Hayashi, Naoki

    2007-04-15

    Imogolite synthesized from sodium orthosilicate and aluminum trichloride was fractionated into four fractions by centrifuging at 12,000 x g (1h). The supernatant, which did not deposit by three times centrifugations, was used for all measurements. The signal of birefringence under a reversing electric pulse showed that the permanent dipole moment is negligibly small at low fields. The electric birefringence under a rectangular electric pulse is positive. The saturated value is proportional to the concentration of imogolite in the range of 0-0.1mg/ml and decreases rapidly with an increase of added salt concentration for NaCl and AgNO(3). It slightly depends on the pH of solution and is biggest in pure water. Then we have determined the anisotropy of electric polarizability (Deltaalpha) for imogolite in pure water at 0.05 mg/ml. Deltaalpha we obtained from the method decreases rapidly at low fields and slowly at high fields as shown in references [M. Matsumoto, Colloids Surf. A 148 (1999) 75, M. Matsumoto, Biophys. Chem. 58 (1996) 173]. It is approximately shown by the following expression, Deltaalpha=Deltaalpha(infinity)+(Deltaalpha(0)-Deltaalpha(infinity))/(1+KE), (Deltaalpha(0):Deltaalpha at E=0, Deltaalpha(infinity):Deltaalpha at E=infinity). Using this relation we can draw the curve of electric birefringence as a function of electric field and compare it with experimental values. The results, when Deltaalpha(0)=1.17x10(-28)Fm(2), Deltaalpha(infinity)=0.005x10(-28)Fm(2) and K=0.00031 m/V, are in good agreement with each other. In order to explain the reason why the anisotropy of electric polarizability rapidly decreases with an increase of electric field we propose that the difference of electrophoretic mobility between parts of colloidal particle causes the orientation of a rod like particle. The theoretical electric birefringence as a function of electric field we obtained is considerably in good agreement with the experimental values.

  19. Water maser emission from exoplanetary systems

    Science.gov (United States)

    Cosmovici, C. B.; Pogrebenko, S.

    2018-01-01

    Since the first discovery of a Jupiter-mass planet in 1995 more than 2000 exo-planets have been found to exist around main sequence stars. The detection techniques are based on the radial velocity method (which involves the measurement of the star's wobbling induced by the gravitational field of the orbiting giant planets) or on transit photometry by using space telescopes (Kepler, Corot, Hubble and Spitzer) outside the absorbing Earth atmosphere. From the ground, as infrared observations are strongly limited by atmospheric absorption, radioastronomy offers almost the only possible way to search for water presence and abundance in the planetary atmospheres of terrestrial-type planets where life may evolve. Following the discovery in 1994 of the first water maser emission in the atmosphere of Jupiter induced by a cometary impact, our measurements have shown that the water maser line at 22 GHz (1.35 cm) can be used as a powerful diagnostic tool for water search outside the solar system, as comets are able to deliver considerable amounts of water to planets raising the fascinating possibility of extraterrestrial life evolution. Thus in 1999 we started the systematic search for water on 35 different targets up to 50 light years away from the Sun. Here we report the first detection of the water maser emission from the exoplanetary systems Epsilon Eridani, Lalande 21185 and Gliese 581. We have shown the peculiar feasibility of water detection and its importance in the search for exoplanetary systems especially for the Astrobiology programs, given the possibility of long period observations using powerful radiotelescopes equipped with adequate spectrometers.

  20. Adapting water accounting for integrated water resource management. The Júcar Water Resource System (Spain)

    Science.gov (United States)

    Momblanch, Andrea; Andreu, Joaquín; Paredes-Arquiola, Javier; Solera, Abel; Pedro-Monzonís, María

    2014-11-01

    An increase in water demands, exacerbated by climate change and the tightening of environmental requirements, leads to a reduction in available water resources for economic uses. This situation poses challenges for water resource planning and management. Water accounting has emerged as an appropriate tool to improve transparency and control in water management. There are multiple water accounting approaches, but they generally involve a very exhaustive list of accounted concepts. According to our findings in this research, one of the best water accounting methodologies is the Australian Water Accounting Standard. However, its implementation for integrated water resource planning and management purposes calls into questioning the amount of information and level of detail necessary for the users of water accounts. In this paper, we present a different method of applying the Australian Water Accounting Standard in relation to water resource management, which improves its utility. In order to compare the original approach and that proposed here, we present and discuss an application to the Júcar Water Resource System, in eastern Spain.

  1. [Influence of water source switching on water quality in drinking water distribution system].

    Science.gov (United States)

    Wang, Yang; Niu, Zhang-bin; Zhang, Xiao-jian; Chen, Chao; He, Wen-jie; Han, Hong-da

    2007-10-01

    This study investigates the regularity of the change on the physical and chemical water qualities in the distribution system during the process of water source switching in A city. Due to the water source switching, the water quality is chemical-astable. Because of the differences between the two water sources, pH reduced from 7.54 to 7.18, alkalinity reduced from 188 mg x L(-1) to 117 mg x L(-1), chloride (Cl(-)) reduced from 310 mg x L(-1) to 132 mg x L(-1), conductance reduced from 0.176 S x m(-1) to 0.087 S x m(-1) and the ions of calcium and magnesium reduced to 15 mg x L(-1) and 11 mg x L(-1) respectively. Residual chlorine changed while the increase of the chlorine demand and the water quantity decreasing at night, and the changes of pH, alkalinity and residual chlorine brought the iron increased to 0.4 mg x L(-1) at the tiptop, which was over the standard. The influence of the change of the water parameters on the water chemical-stability in the drinking water distribution system is analyzed, and the controlling countermeasure is advanced: increasing pH, using phosphate and enhancing the quality of the water in distribution system especially the residual chlorine.

  2. Influence of Gaussian white noise on the frequency-dependent linear polarizability of doped quantum dot

    Energy Technology Data Exchange (ETDEWEB)

    Ganguly, Jayanta [Department of Chemistry, Brahmankhanda Basapara High School, Basapara, Birbhum 731 215, West Bengal (India); Ghosh, Manas, E-mail: pcmg77@rediffmail.com [Department of Chemistry, Physical Chemistry Section, Visva Bharati University, Santiniketan, Birbhum 731 235, West Bengal (India)

    2014-06-25

    Highlights: • Linear polarizability of quantum dot has been studied. • Quantum dot is doped with a repulsive impurity. • The polarizabilities are frequency-dependent. • Influence of Gaussian white noise has been monitored. • Noise exploited is of additive and multiplicative nature. - Abstract: We investigate the profiles of diagonal components of frequency-dependent linear (α{sub xx} and α{sub yy}) optical response of repulsive impurity doped quantum dots. The dopant impurity potential chosen assumes Gaussian form. The study principally puts emphasis on investigating the role of noise on the polarizability components. In view of this we have exploited Gaussian white noise containing additive and multiplicative characteristics (in Stratonovich sense). The frequency-dependent polarizabilities are studied by exposing the doped dot to a periodically oscillating external electric field of given intensity. The oscillation frequency, confinement potentials, dopant location, and above all, the noise characteristics tune the linear polarizability components in a subtle manner. Whereas the additive noise fails to have any impact on the polarizabilities, the multiplicative noise influences them delicately and gives rise to additional interesting features.

  3. Influence of Gaussian white noise on the frequency-dependent linear polarizability of doped quantum dot

    International Nuclear Information System (INIS)

    Ganguly, Jayanta; Ghosh, Manas

    2014-01-01

    Highlights: • Linear polarizability of quantum dot has been studied. • Quantum dot is doped with a repulsive impurity. • The polarizabilities are frequency-dependent. • Influence of Gaussian white noise has been monitored. • Noise exploited is of additive and multiplicative nature. - Abstract: We investigate the profiles of diagonal components of frequency-dependent linear (α xx and α yy ) optical response of repulsive impurity doped quantum dots. The dopant impurity potential chosen assumes Gaussian form. The study principally puts emphasis on investigating the role of noise on the polarizability components. In view of this we have exploited Gaussian white noise containing additive and multiplicative characteristics (in Stratonovich sense). The frequency-dependent polarizabilities are studied by exposing the doped dot to a periodically oscillating external electric field of given intensity. The oscillation frequency, confinement potentials, dopant location, and above all, the noise characteristics tune the linear polarizability components in a subtle manner. Whereas the additive noise fails to have any impact on the polarizabilities, the multiplicative noise influences them delicately and gives rise to additional interesting features

  4. Solar Water Heating System for Biodiesel Production

    Science.gov (United States)

    Syaifurrahman; Usman, A. Gani; Rinjani, Rakasiwi

    2018-02-01

    Nowadays, electricity become very expensive thing in some remote areas. Energy from solar panels give the solution as renewable energy that is environment friendly. West Borneo is located on the equator where the sun shines for almost 10-15 hours/day. Solar water heating system which is includes storage tank and solar collections becomes a cost-effective way to generate the energy. Solar panel heat water is delivered to water in storage tank. Hot water is used as hot fluid in biodiesel jacked reactor. The purposes of this research are to design Solar Water Heating System for Biodiesel Production and measure the rate of heat-transfer water in storage tank. This test has done for 6 days, every day from 8.30 am until 2.30 pm. Storage tank and collection are made from stainless steel and polystyrene a well-insulated. The results show that the heater can be reach at 50ºC for ±2.5 hours and the maximum temperature is 62ºC where the average of light intensity is 1280 lux.

  5. Water chemistry of nuclear reactor systems 5

    International Nuclear Information System (INIS)

    The water chemistry aspects of nuclear reactors are of critical importance. This book is a state-of-the-art review of the best international experience. It embodies the expertise presented at the fifth triennial international conference on the water chemistry of nuclear reactor systems in October 1989. The book is published in two volumes. Topics covered range widely and are grouped into eight sections. These include PWR experience (13 papers), radiation control measures (8 papers), BWR operational experience (10 papers), radiolysis in BWR coolants (11 papers), decontamination (10 papers), secondary-side chemistry (8 papers), water chemistry purification (8 papers), and fission product chemistry (4 papers). There are also 45 poster papers on aspects of water chemistry. All the papers are indexed separately. Discussion on the papers is included in volume 2 but is not indexed. (author)

  6. Wash water waste pretreatment system study

    Science.gov (United States)

    1976-01-01

    The use of real wash water had no adverse effect on soap removal when an Olive Leaf soap based system was used; 96 percent of the soap was removed using ferric chloride. Numerous chemical agents were evaluated as antifoams for synthetic wash water. Wash water surfactants used included Olive Leaf Soap, Ivory Soap, Neutrogena and Neutrogena Rain Bath Gel, Alipal CO-436, Aerosol 18, Miranol JEM, Palmeto, and Aerosol MA-80. For each type of soapy wash water evaluated, at least one antifoam capable of causing nonpersistent foam was identified. In general, the silicones and the heavy metal ions (i.e., ferric, aluminum, etc.) were the most effective antifoams. Required dosage was in the range of 50 to 200 ppm.

  7. Interfacial Properties of Polydimethylsiloxane-Water Systems

    Science.gov (United States)

    Ismail, Ahmed E.; Grest, Gary S.; Stevens, Mark J.; Tsige, Mesfin; Heine, David R.

    2008-03-01

    Polydimethylsiloxane (PDMS) is a main constituent of silicone adhesives, which have a wide use as adhesives. Often these adhesives are used as sealants. The interaction between water and PDMS is of fundamental importance. To improve our understanding at the molecular level, we have performed molecular dynamics (MD) simulations of PDMS in the presence of water, with the long-term goal of studying how water molecules effect debonding at the surface. Knowledge of the basic interfacial properties of a multicomponent system, such as the surface tension, contact angle, and diffusion constant, are essential to obtain the proper dynamic behavior in a molecular simulation of adhesion and wetting processes. Explicit-atom simulations of 10^5 or more atoms were used to determine liquid-vapor surface tension and the contact angle for water on the surface of PDMS. We present results for the dependence of the surface tension on chain length and end-group functionality.

  8. Molecular quantum mechanical gradients within the polarizable embedding approach—Application to the internal vibrational Stark shift of acetophenone

    DEFF Research Database (Denmark)

    List, Nanna Holmgaard; Beerepoot, Maarten; Olsen, Jógvan Magnus Haugaard

    2015-01-01

    We present an implementation of analytical quantum mechanical molecular gradients within the polarizable embedding (PE) model to allow for efficient geometry optimizations and vibrational analysis of molecules embedded in large, geometrically frozen environments. We consider a variational ansatz...... for the quantum region, covering (multiconfigurational) self-consistent-field and Kohn–Sham density functional theory. As the first application of the implementation, we consider the internal vibrational Stark effect of the C=O group of acetophenone in different solvents and derive its vibrational linear Stark...... and water is essential in order to capture the structural modifications and the associated frequency shifts observed in water. For more apolar solvents, a proper description of dispersion and exchange–repulsion becomes increasingly important, and the quality of the optimized structures relies to a larger...

  9. Modelling water uptake efficiency of root systems

    Science.gov (United States)

    Leitner, Daniel; Tron, Stefania; Schröder, Natalie; Bodner, Gernot; Javaux, Mathieu; Vanderborght, Jan; Vereecken, Harry; Schnepf, Andrea

    2016-04-01

    Water uptake is crucial for plant productivity. Trait based breeding for more water efficient crops will enable a sustainable agricultural management under specific pedoclimatic conditions, and can increase drought resistance of plants. Mathematical modelling can be used to find suitable root system traits for better water uptake efficiency defined as amount of water taken up per unit of root biomass. This approach requires large simulation times and large number of simulation runs, since we test different root systems under different pedoclimatic conditions. In this work, we model water movement by the 1-dimensional Richards equation with the soil hydraulic properties described according to the van Genuchten model. Climatic conditions serve as the upper boundary condition. The root system grows during the simulation period and water uptake is calculated via a sink term (after Tron et al. 2015). The goal of this work is to compare different free software tools based on different numerical schemes to solve the model. We compare implementations using DUMUX (based on finite volumes), Hydrus 1D (based on finite elements), and a Matlab implementation of Van Dam, J. C., & Feddes 2000 (based on finite differences). We analyse the methods for accuracy, speed and flexibility. Using this model case study, we can clearly show the impact of various root system traits on water uptake efficiency. Furthermore, we can quantify frequent simplifications that are introduced in the modelling step like considering a static root system instead of a growing one, or considering a sink term based on root density instead of considering the full root hydraulic model (Javaux et al. 2008). References Tron, S., Bodner, G., Laio, F., Ridolfi, L., & Leitner, D. (2015). Can diversity in root architecture explain plant water use efficiency? A modeling study. Ecological modelling, 312, 200-210. Van Dam, J. C., & Feddes, R. A. (2000). Numerical simulation of infiltration, evaporation and shallow

  10. 21 CFR 1240.86 - Protection of pier water system.

    Science.gov (United States)

    2010-04-01

    ... 21 Food and Drugs 8 2010-04-01 2010-04-01 false Protection of pier water system. 1240.86 Section... DISEASES Source and Use of Potable Water § 1240.86 Protection of pier water system. No vessel engaged in interstate traffic shall make a connection between its nonpotable water system and any pier potable water...

  11. Water Treatment Systems for Long Spaceflights

    Science.gov (United States)

    FLynn, Michael T.

    2012-01-01

    Space exploration will require new life support systems to support the crew on journeys lasting from a few days to several weeks, or longer. These systems should also be designed to reduce the mass required to keep humans alive in space. Water accounts for about 80 percent of the daily mass intake required to keep a person alive. As a result, recycling water offers a high return on investment for space life support. Water recycling can also increase mission safety by providing an emergency supply of drinking water, where another supply is exhausted or contaminated. These technologies also increase safety by providing a lightweight backup to stored supplies, and they allow astronauts to meet daily drinking water requirements by recycling the water contained in their own urine. They also convert urine into concentrated brine that is biologically stable and nonthreatening, and can be safely stored onboard. This approach eliminates the need to have a dedicated vent to dump urine overboard. These needs are met by a system that provides a contaminant treatment pouch, referred to as a urine cell or contaminant cell, that converts urine or another liquid containing contaminants into a fortified drink, engineered to meet human hydration, electrolyte, and caloric requirements, using a variant of forward osmosis (FO) to draw water from a urine container into the concentrated fortified drink as part of a recycling stage. An activated carbon pretreatment removes most organic molecules. Salinity of the initial liquid mix (urine plus other) is synergistically used to enhance the precipitation of organic molecules so that activated carbon can remove most of the organics. A functional osmotic bag is then used to remove inorganic contaminants. If a contaminant is processed for which the saline content is different than optimal for precipitating organic molecules, the saline content of the liquid should be adjusted toward the optimal value for that contaminant. A first urine

  12. CLASSIFICATION OF THE MGR SITE WATER SYSTEM

    International Nuclear Information System (INIS)

    J.A. Ziegler

    1999-01-01

    The purpose of this analysis is to document the Quality Assurance (QA) classification of the Monitored Geologic Repository (MGR) site water system structures, systems and components (SSCs) performed by the MGR Safety Assurance Department. This analysis also provides the basis for revision of YMP/90-55Q, Q-List (YMP 1998). The Q-List identifies those MGR SSCs subject to the requirements of DOE/RW-0333P, ''Quality Assurance Requirements and Description'' (QARD) (DOE 1998)

  13. [Maintenance and monitoring of water treatment system].

    Science.gov (United States)

    Pontoriero, G; Pozzoni, P; Tentori, F; Scaravilli, P; Locatelli, F

    2005-01-01

    Water treatment systems must be submitted to maintenance, disinfections and monitoring periodically. The aim of this review is to analyze how these processes must complement each other in order to preserve the efficiency of the system and optimize the dialysis fluid quality. The correct working of the preparatory process (pre-treatment) and the final phase of depuration (reverse osmosis) of the system need a periodic preventive maintenance and the regular substitution of worn or exhausted components (i.e. the salt of softeners' brine tank, cartridge filters, activated carbon of carbon tanks) by a competent and trained staff. The membranes of reverse osmosis and the water distribution system, including dialysis machine connections, should be submitted to dis-infections at least monthly. For this purpose it is possible to use chemical and physical agents according to manufacturer' recommendations. Each dialysis unit should predispose a monitoring program designed to check the effectiveness of technical working, maintenance and disinfections and the achievement of chemical and microbiological standards taken as a reference. Generally, the correct composition of purified water is monitored by continuous measuring of conductivity, controlling bacteriological cultures and endotoxin levels (monthly) and checking water contaminants (every 6-12 months). During pre-treatment, water hardness (after softeners) and total chlorine (after chlorine tank) should be checked periodically. Recently the Italian Society of Nephrology has developed clinical guidelines for water and dialysis solutions aimed at suggesting rational procedures for production and monitoring of dialysis fluids. It is hopeful that the application of these guidelines will lead to a positive cultural change and to an improvement in dialysis fluid quality.

  14. Water distribution systems design optimisation using metaheuristics ...

    African Journals Online (AJOL)

    The topic of multi-objective water distribution systems (WDS) design optimisation using metaheuristics is investigated, comparing numerous modern metaheuristics, including several multi-objective evolutionary algorithms, an estimation of distribution algorithm and a recent hyperheuristic named AMALGAM (an evolutionary ...

  15. APPLICATION OF A PHOTOVOLTAIC SYSTEM IN WATER ...

    African Journals Online (AJOL)

    APPLICATION OF A PHOTOVOLTAIC SYSTEM IN WATER PUMPING. Tesfaye Bayou. Department of Electrical Engineering. Addis Ababa University. ABSTRACT. Supply of commercial type of energy sources for rural communities has been a problem, especially in least developed countries like Ethiopia. With a sizeable ...

  16. Stark effect, polarizability, and electroabsorption in silicon nanocrystals

    Science.gov (United States)

    Bulutay, Ceyhun; Kulakci, Mustafa; Turan, Raşit

    2010-03-01

    Demonstrating the quantum-confined Stark effect (QCSE) in silicon nanocrystals (NCs) embedded in oxide has been rather elusive, unlike the other materials. Here, the recent experimental data from ion-implanted Si NCs is unambiguously explained within the context of QCSE using an atomistic pseudopotential theory. This further reveals that the majority of the Stark shift comes from the valence states which undergo a level crossing that leads to a nonmonotonic radiative recombination behavior with respect to the applied field. The polarizability of embedded Si NCs including the excitonic effects is extracted over a diameter range of 2.5-6.5 nm, which displays a cubic scaling, α=cDNC3 , with c=2.436×10-11C/(Vm) , where DNC is the NC diameter. Finally, based on intraband electroabsorption analysis, it is predicted that p -doped Si NCs will show substantial voltage tunability, whereas n -doped samples should be almost insensitive. Given the fact that bulk silicon lacks the linear electro-optic effect as being a centrosymmetric crystal, this may offer a viable alternative for electrical modulation using p -doped Si NCs.

  17. Time-Dependent Coupled Perturbed Hartree-Fock and Density-Functional-Theory Approach for Calculating Frequency-Dependent (Hyper)Polarizabilities with Nonorthogonal Localized Molecular Orbitals.

    Science.gov (United States)

    Peng, Daoling; Li, Shaopeng; Peng, Liang; Gu, Feng Long; Yang, Weitao

    2017-09-12

    The time-dependent coupled perturbed Hartree-Fock/density-functional-theory (TDHF/TDDFT) approach has been reformulated based on nonorthogonal localized molecular orbitals (NOLMOs). Based on the NOLMO Fock equation, we have derived the corresponding NOLMO-TDHF/TDDFT equations up to the third order, and the formula for the frequency-dependent (hyper)polarizabilities has been given. Our approach has been applied to calculate both static and dynamic (hyper)polarizabilities of molecules varying from small molecules to large molecules. The NOLMO-TDHF/TDDFT approach can reproduce the reference canonical molecular orbital (CMO) results for all of our testing calculations. With the help of ongoing development of optimized local virtual molecular orbitals, the NOLMO-TDHF/TDDFT approach would be a very efficient method for large system calculations and tp achieve linear scaling.

  18. Nitrification in Chloraminated Drinking Water Distribution Systems: Factors Affecting Occurrence

    Science.gov (United States)

    Drinking water distribution systems with ammonia present from either naturally occurring ammonia or ammonia addition during chloramination are at risk for nitrification. Nitrification in drinking water distribution systems is undesirable and may result in water quality degradatio...

  19. Drinking Water Microbiome as a Screening Tool for Nitrification in Chloraminated Drinking Water Distribution Systems

    Science.gov (United States)

    Many water utilities in the US using chloramine as disinfectant treatment in their distribution systems have experienced nitrification episodes, which detrimentally impact the water quality. A chloraminated drinking water distribution system (DWDS) simulator was operated throug...

  20. Developing Sustainable Spacecraft Water Management Systems

    Science.gov (United States)

    Thomas, Evan A.; Klaus, David M.

    2009-01-01

    It is well recognized that water handling systems used in a spacecraft are prone to failure caused by biofouling and mineral scaling, which can clog mechanical systems and degrade the performance of capillary-based technologies. Long duration spaceflight applications, such as extended stays at a Lunar Outpost or during a Mars transit mission, will increasingly benefit from hardware that is generally more robust and operationally sustainable overtime. This paper presents potential design and testing considerations for improving the reliability of water handling technologies for exploration spacecraft. Our application of interest is to devise a spacecraft wastewater management system wherein fouling can be accommodated by design attributes of the management hardware, rather than implementing some means of preventing its occurrence.

  1. Polarizable Force Field for DNA Based on the Classical Drude Oscillator: I. Refinement Using Quantum Mechanical Base Stacking and Conformational Energetics.

    Science.gov (United States)

    Lemkul, Justin A; MacKerell, Alexander D

    2017-05-09

    Empirical force fields seek to relate the configuration of a set of atoms to its energy, thus yielding the forces governing its dynamics, using classical physics rather than more expensive quantum mechanical calculations that are computationally intractable for large systems. Most force fields used to simulate biomolecular systems use fixed atomic partial charges, neglecting the influence of electronic polarization, instead making use of a mean-field approximation that may not be transferable across environments. Recent hardware and software developments make polarizable simulations feasible, and to this end, polarizable force fields represent the next generation of molecular dynamics simulation technology. In this work, we describe the refinement of a polarizable force field for DNA based on the classical Drude oscillator model by targeting quantum mechanical interaction energies and conformational energy profiles of model compounds necessary to build a complete DNA force field. The parametrization strategy employed in the present work seeks to correct weak base stacking in A- and B-DNA and the unwinding of Z-DNA observed in the previous version of the force field, called Drude-2013. Refinement of base nonbonded terms and reparametrization of dihedral terms in the glycosidic linkage, deoxyribofuranose rings, and important backbone torsions resulted in improved agreement with quantum mechanical potential energy surfaces. Notably, we expand on previous efforts by explicitly including Z-DNA conformational energetics in the refinement.

  2. Acid mine water aeration and treatment system

    Science.gov (United States)

    Ackman, Terry E.; Place, John M.

    1987-01-01

    An in-line system is provided for treating acid mine drainage which basically comprises the combination of a jet pump (or pumps) and a static mixer. The jet pump entrains air into the acid waste water using a Venturi effect so as to provide aeration of the waste water while further aeration is provided by the helical vanes of the static mixer. A neutralizing agent is injected into the suction chamber of the jet pump and the static mixer is formed by plural sections offset by 90 degrees.

  3. A Benchmarking System for Domestic Water Use

    Directory of Open Access Journals (Sweden)

    Dexter V. L. Hunt

    2014-05-01

    Full Text Available The national demand for water in the UK is predicted to increase, exacerbated by a growing UK population, and home-grown demands for energy and food. When set against the context of overstretched existing supply sources vulnerable to droughts, particularly in increasingly dense city centres, the delicate balance of matching minimal demands with resource secure supplies becomes critical. When making changes to "internal" demands the role of technological efficiency and user behaviour cannot be ignored, yet existing benchmarking systems traditionally do not consider the latter. This paper investigates the practicalities of adopting a domestic benchmarking system (using a band rating that allows individual users to assess their current water use performance against what is possible. The benchmarking system allows users to achieve higher benchmarks through any approach that reduces water consumption. The sensitivity of water use benchmarks are investigated by making changes to user behaviour and technology. The impact of adopting localised supplies (i.e., Rainwater harvesting—RWH and Grey water—GW and including "external" gardening demands are investigated. This includes the impacts (in isolation and combination of the following: occupancy rates (1 to 4; roof size (12.5 m2 to 100 m2; garden size (25 m2 to 100 m2 and geographical location (North West, Midlands and South East, UK with yearly temporal effects (i.e., rainfall and temperature. Lessons learnt from analysis of the proposed benchmarking system are made throughout this paper, in particular its compatibility with the existing Code for Sustainable Homes (CSH accreditation system. Conclusions are subsequently drawn for the robustness of the proposed system.

  4. The origin of inner Solar System water.

    Science.gov (United States)

    Alexander, Conel M O'D

    2017-05-28

    Of the potential volatile sources for the terrestrial planets, the CI and CM carbonaceous chondrites are closest to the planets' bulk H and N isotopic compositions. For the Earth, the addition of approximately 2-4 wt% of CI/CM material to a volatile-depleted proto-Earth can explain the abundances of many of the most volatile elements, although some solar-like material is also required. Two dynamical models of terrestrial planet formation predict that the carbonaceous chondrites formed either in the asteroid belt ('classical' model) or in the outer Solar System (5-15 AU in the Grand Tack model). To test these models, at present the H isotopes of water are the most promising indicators of formation location because they should have become increasingly D-rich with distance from the Sun. The estimated initial H isotopic compositions of water accreted by the CI, CM, CR and Tagish Lake carbonaceous chondrites were much more D-poor than measured outer Solar System objects. A similar pattern is seen for N isotopes. The D-poor compositions reflect incomplete re-equilibration with H 2 in the inner Solar System, which is also consistent with the O isotopes of chondritic water. On balance, it seems that the carbonaceous chondrites and their water did not form very far out in the disc, almost certainly not beyond the orbit of Saturn when its moons formed (approx. 3-7 AU in the Grand Tack model) and possibly close to where they are found today.This article is part of the themed issue 'The origin, history and role of water in the evolution of the inner Solar System'. © 2017 The Author(s).

  5. Variational principles for the static electric and magnetic polarizabilities of anisotropic media with perfect electric conductor inclusions

    International Nuclear Information System (INIS)

    Sjoeberg, Daniel

    2009-01-01

    We present four variational principles for the electric and magnetic polarizabilities for a structure consisting of anisotropic media with perfect electric conductor (PEC) inclusions. From these principles, we derive monotonicity results and upper and lower bounds on the electric and magnetic polarizabilities. When computing the polarizabilities numerically, the bounds can be used as error bounds. The variational principles demonstrate important differences between electrostatics and magnetostatics when PEC bodies are present.

  6. Spin polarizabilities and characteristics of spin-one hadrons related to parity nonconservation in the Duffin-Kemmer-Petiau formalism

    International Nuclear Information System (INIS)

    Vakulina, E.V.; Maksimenko, N.V.

    2017-01-01

    Using the relativistic-invariant effective tensor representation of the Lagrangians of the two-photon interaction with hadrons within the Duffin-Kemmer-Petiau formalism, the spin polarizabilities of the spin 1 particles that are characteristic of spin 1/2 hadrons have been determined. Along with this, new spin polarizabilities of spin 1 particles have been determined, that are related to the presence of the tensor polarizabilities.

  7. Army Energy and Water Reporting System Assessment

    Energy Technology Data Exchange (ETDEWEB)

    Deprez, Peggy C.; Giardinelli, Michael J.; Burke, John S.; Connell, Linda M.

    2011-09-01

    There are many areas of desired improvement for the Army Energy and Water Reporting System. The purpose of system is to serve as a data repository for collecting information from energy managers, which is then compiled into an annual energy report. This document summarizes reported shortcomings of the system and provides several alternative approaches for improving application usability and adding functionality. The U.S. Army has been using Army Energy and Water Reporting System (AEWRS) for many years to collect and compile energy data from installations for facilitating compliance with Federal and Department of Defense energy management program reporting requirements. In this analysis, staff from Pacific Northwest National Laboratory found that substantial opportunities exist to expand AEWRS functions to better assist the Army to effectively manage energy programs. Army leadership must decide if it wants to invest in expanding AEWRS capabilities as a web-based, enterprise-wide tool for improving the Army Energy and Water Management Program or simply maintaining a bottom-up reporting tool. This report looks at both improving system functionality from an operational perspective and increasing user-friendliness, but also as a tool for potential improvements to increase program effectiveness. The authors of this report recommend focusing on making the system easier for energy managers to input accurate data as the top priority for improving AEWRS. The next major focus of improvement would be improved reporting. The AEWRS user interface is dated and not user friendly, and a new system is recommended. While there are relatively minor improvements that could be made to the existing system to make it easier to use, significant improvements will be achieved with a user-friendly interface, new architecture, and a design that permits scalability and reliability. An expanded data set would naturally have need of additional requirements gathering and a focus on integrating

  8. Soil Water and Temperature System (SWATS) Handbook

    Energy Technology Data Exchange (ETDEWEB)

    Bond, D

    2005-01-01

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

  9. Operational water management of Rijnland water system and pilot of ensemble forecasting system for flood control

    Science.gov (United States)

    van der Zwan, Rene

    2013-04-01

    The Rijnland water system is situated in the western part of the Netherlands, and is a low-lying area of which 90% is below sea-level. The area covers 1,100 square kilometres, where 1.3 million people live, work, travel and enjoy leisure. The District Water Control Board of Rijnland is responsible for flood defence, water quantity and quality management. This includes design and maintenance of flood defence structures, control of regulating structures for an adequate water level management, and waste water treatment. For water quantity management Rijnland uses, besides an online monitoring network for collecting water level and precipitation data, a real time control decision support system. This decision support system consists of deterministic hydro-meteorological forecasts with a 24-hr forecast horizon, coupled with a control module that provides optimal operation schedules for the storage basin pumping stations. The uncertainty of the rainfall forecast is not forwarded in the hydrological prediction. At this moment 65% of the pumping capacity of the storage basin pumping stations can be automatically controlled by the decision control system. Within 5 years, after renovation of two other pumping stations, the total capacity of 200 m3/s will be automatically controlled. In critical conditions there is a need of both a longer forecast horizon and a probabilistic forecast. Therefore ensemble precipitation forecasts of the ECMWF are already consulted off-line during dry-spells, and Rijnland is running a pilot operational system providing 10-day water level ensemble forecasts. The use of EPS during dry-spells and the findings of the pilot will be presented. Challenges and next steps towards on-line implementation of ensemble forecasts for risk-based operational management of the Rijnland water system will be discussed. An important element in that discussion is the question: will policy and decision makers, operator and citizens adapt this Anticipatory Water

  10. Guidelines for transient analysis in water transmission and distribution systems

    NARCIS (Netherlands)

    Pothof, I.W.M.; Karney, B.W.

    2012-01-01

    All water systems leak, and many supply systems do so considerably, with water losses typically of approximately 20% of the water production. The IWA Water Loss Task Force aims for a significant reduction of annual water losses by drafting documents to assist practitioners and others to prevent,

  11. Condensate and feedwater systems, pumps, and water chemistry. Volume seven

    International Nuclear Information System (INIS)

    Anon.

    1986-01-01

    Subject matter includes condensate and feedwater systems (general features of condensate and feedwater systems, condenser hotwell level control, condensate flow, feedwater flow), pumps (principles of fluid flow, types of pumps, centrifugal pumps, positive displacement pumps, jet pumps, pump operating characteristics) and water chemistry (water chemistry fundamentals, corrosion, scaling, radiochemistry, water chemistry control processes, water pretreatment, PWR water chemistry, BWR water chemistry, condenser circulating water chemistry

  12. Water in micro- and nanofluidics systems described using the water potential

    NARCIS (Netherlands)

    Eijkel, Jan C.T.; van den Berg, Albert

    2005-01-01

    This Tutorial Review shows the behaviour of water in micro- and nanofluidic systems. The chemical potential of water (‘water potential’) conveniently describes the energy level of the water at different locations in and around the system, both in the liquid and gaseous state. Since water moves from

  13. Empirical parameters for solvent acidity, basicity, dipolarity, and polarizability of the ionic liquids [BMIM][BF4] and [BMIM][PF6].

    Science.gov (United States)

    del Valle, J C; García Blanco, F; Catalán, J

    2015-04-02

    The empirical solvent scales for polarizability (SP), dipolarity (SdP), acidity (SA), and basicity (SB) have been successfully used to interpret the solvatochromism of compounds dissolved in organic solvents and their solvent mixtures. Providing that the published solvatochromic parameters for the ionic liquids 1-(1-butyl)-3-methylimidazolium tetrafluoroborate, [BMIM][BF4] and 1-(1-butyl)-3-methylimidazolium hexafluorophosphate, [BMIM][PF6], are excessively widespread, their SP, SdP, SA, and SB values are measured herein at temperatures from 293 to 353 K. Four key points are emphasized herein: (i) the origin of the solvatochromic solvent scales--the gas phase, that is the absence of any medium perturbation--; (ii) the separation of the polarizability and dipolarity effects; (iii) the simplification of the probing process in order to obtain the solvatochromic parameters; and (iv) the SP, SdP, SA, and SB solvent scales can probe the polarizability, dipolarity, acidity, and basicity of ionic liquids as well as of organic solvents and water-organic solvent mixtures. From the multiparameter approach using the four pure solvent scales one can draw the conclusion that (a) the solvent influence of [BMIM][BF4] parallels that of formamide at 293 K, both of them miscible with water; (b) [BMIM][PF6] shows a set of solvatochromic parameters similar to that of chloroacetonitrile, both of them water insoluble; and (c) that the corresponding solvent acidity and basicity of the ionic liquids can be explained to a great extent from the cation species by comparing the empirical parameters of [BMIM](+) with those of the solvent 1-methylimidazole. The insolubility of [BMIM][PF6] in water as compared to [BMIM][BF4] is tentatively connected to some extent to the larger molar volume of the anion [PF6](-), and to the difference in basicity of [PF6](-) and [BF4](-).

  14. 21 CFR 1250.82 - Potable water systems.

    Science.gov (United States)

    2010-04-01

    ... 21 Food and Drugs 8 2010-04-01 2010-04-01 false Potable water systems. 1250.82 Section 1250.82... SANITATION Sanitation Facilities and Conditions on Vessels § 1250.82 Potable water systems. The following conditions must be met by vessel water systems used for the storage and distribution of water which has met...

  15. 33 CFR 127.1507 - Water systems for fire protection.

    Science.gov (United States)

    2010-07-01

    ... 33 Navigation and Navigable Waters 2 2010-07-01 2010-07-01 false Water systems for fire protection... systems for fire protection. (a) Each waterfront facility handling LHG must have a supply of water and a... protection for structures, cargo, and vessels. Each water system must include on the pier or wharf at least...

  16. A water flow calorimeter calibration system

    International Nuclear Information System (INIS)

    Ullrich, F.T.

    1983-01-01

    Neutral beam systems are instrumented by several water flow calorimeter systems, and some means is needed to verify the accuracy of such systems and diagnose their failures. This report describes a calibration system for these calorimeters. The calibrator consists of two 24 kilowatt circulation water heaters, with associated controls and instrumentation. The unit can supply power from 0 to 48 kW in five coarse steps and one fine range. Energy is controlled by varying the power and the time of operation of the heaters. The power is measured by means of precision power transducers, and the energy is measured by integrating the power with respect to time. The accuracy of the energy measurement is better than 0.5% when the power supplied is near full scale, and the energy resolution is better than 1 kilojoule. The maximum energy delivered is approximately 50 megajoules. The calorimetry loop to be calibrated is opened, and the calibrator is put in series with the calorimeter heat source. The calorimeter is then operated in its normal fashion, with the calibrator used as the heat source. The calibrator can also be used in a stand alone mode to calibrate calorimeter sensors removed from systems

  17. Polarizable crystals in apocrine sweat gland tumors: A series of 3 cases.

    Science.gov (United States)

    Johnson, Gina; Gardner, Jerad M; Shalin, Sara C

    2017-08-01

    Polarizable calcium oxalate (CaOx) crystals have been well documented in breast biopsies, generally associated with benign apocrine metaplasia. In contrast, polarizable crystals are only rarely reported in skin adnexal neoplasms. We report 3 different cases of sweat gland tumors with polarizable crystals morphologically suggestive of CaOx: 1 apocrine hidrocystoma and 2 tubular apocrine adenomas. The histologic features were examined in 3 cases. Clinical presentation summary included 2 males and 1 female, ages 53 to 74 years, with lesions located on the left cheek, inferior vertex scalp and the left eyebrow. All 3 cases showed polarizable, geometric, plate-like and fractured, colorless crystals within the lumens of the neoplasm. Of note, these crystals were seen only on the toluidine blue-stained section of Case #1, but were not present on the corresponding permanent section. We hypothesize that polarizable crystals may be present in sweat gland neoplasms more often than previously documented, but that they may often dissolve with routine processing, accounting for their rare visibility. We highlight this rare finding, and suggest that it may be underreported. We only noted this finding in benign apocrine tumors; further investigation would be necessary to determine whether these crystals are also seen in other cutaneous adnexal neoplasms. © 2017 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

  18. Operator Support System for Pressurized Water Reactor

    International Nuclear Information System (INIS)

    Wei Renjie; Shen Shifei

    1996-01-01

    Operator Support System for Pressurized Water Reactor (OSSPWR) has been developed under the sponsorship of IAEA from August 1994. The project is being carried out by the Department of Engineering Physics, Tsinghua University, Beijing, China. The Design concepts of the operator support functions have been established. The prototype systems of OSSPWR has been developed as well. The primary goal of the project is to create an advanced operator support system by applying new technologies such as artificial intelligence (AI) techniques, advanced communication technologies, etc. Recently, the advanced man-machine interface for nuclear power plant operators has been developed. It is connected to the modern computer systems and utilizes new high performance graphic displays. (author). 6 refs, 4 figs

  19. Exploration of dynamic dipole polarizability of impurity doped quantum dots in presence of noise

    Science.gov (United States)

    Ghosh, Anuja; Bera, Aindrila; Saha, Surajit; Arif, Sk. Md.; Ghosh, Manas

    2018-02-01

    Present study strives to perform a rigorous exploration of dynamic dipole polarizability (DDP) of GaAs quantum dot (QD) containing dopant with special reference to influence of Gaussian white noise. Several physical quantities have been varied over a range to observe the modulations of the DDP profiles. Aforesaid physical quantities include magnetic field, confinement potential, dopant location, dopant potential, noise strength, aluminium concentration (only for Alx Ga1 - x As alloy QD), position-dependent effective mass (PDEM), position-dependent dielectric screening function (PDDSF), anisotropy, hydrostatic pressure (HP) and temperature. The DDP profiles reveal noticeable characteristics governed by the particular physical quantity involved, presence/absence of noise, the manner (additive/multiplicative) noise is applied to the system and the incoming photon frequency. As a general observation we have found that additive noise causing greater deviation of the DDP profile from noise-free state than its multiplicative neighbor. The study highlights viable means of harnessing DDP of doped QD under the governance of noise by appropriate adjustment of several relevant factors. The study merits importance in the light of technological applications of QD-based devices where noise appears as an integral component.

  20. The cavity electromagnetic field within the polarizable continuum model of solvation

    Energy Technology Data Exchange (ETDEWEB)

    Pipolo, Silvio, E-mail: silvio.pipolo@nano.cnr.it [Center S3, CNR Institute of Nanoscience, Modena (Italy); Department of Physics, University of Modena and Reggio Emilia, Modena (Italy); Corni, Stefano, E-mail: stefano.corni@nano.cnr.it [Center S3, CNR Institute of Nanoscience, Modena (Italy); Cammi, Roberto, E-mail: roberto.cammi@unipr.it [Department of Chemistry, Università degli studi di Parma, Parma (Italy)

    2014-04-28

    Cavity field effects can be defined as the consequences of the solvent polarization induced by the probing electromagnetic field upon spectroscopies of molecules in solution, and enter in the definitions of solute response properties. The polarizable continuum model of solvation (PCM) has been extended in the past years to address the cavity-field issue through the definition of an effective dipole moment that couples to the external electromagnetic field. We present here a rigorous derivation of such cavity-field treatment within the PCM starting from the general radiation-matter Hamiltonian within inhomogeneous dielectrics and recasting the interaction term to a dipolar form within the long wavelength approximation. To this aim we generalize the Göppert-Mayer and Power-Zienau-Woolley gauge transformations, usually applied in vacuo, to the case of a cavity vector potential. Our derivation also allows extending the cavity-field correction in the long-wavelength limit to the velocity gauge through the definition of an effective linear momentum operator. Furthermore, this work sets the basis for the general PCM treatment of the electromagnetic cavity field, capable to describe the radiation-matter interaction in dielectric media beyond the long-wavelength limit, providing also a tool to investigate spectroscopic properties of more complex systems such as molecules close to large nanoparticles.

  1. Foulant Characteristics Comparison in Recycling Cooling Water System Makeup by Municipal Reclaimed Water and Surface Water in Power Plant

    OpenAIRE

    Ping, Xu; Jing, Wang; Yajun, Zhang; Jie, Wang; Shuai, Si

    2015-01-01

    Due to water shortage, municipal reclaimed water rather than surface water was replenished into recycling cooling water system in power plants in some cities in China. In order to understand the effects of the measure on carbon steel corrosion, characteristics of two kinds of foulant produced in different systems were studied in the paper. Differences between municipal reclaimed water and surface water were analyzed firstly. Then, the weight and the morphology of two kinds of foulant were com...

  2. Passive systems for light water reactors

    International Nuclear Information System (INIS)

    Adinolfi, R.; Noviello, L.

    1990-01-01

    The paper reviews the most original concepts that have been considered in Italy for the back-fitting of the nuclear power plants in order to reduce the probability and the importance of the release to the environment in case of a core melt. With reference either to BWR or PWR, passive concepts have been considered for back-fitting in the following areas: pump seals damage prevention and ECCS passive operation; reactor passive depressurization; molten reactor core passive cooling; metal containment passive water cooling through a water tank located at high level; containment isolation improvement through a sealing system; containment leaks control and limitation of environmental release. In addition some considerations will be made on the protection against external events introduced from the beginning on the PUN design either on building and equipment lay-out either on structure design. (author). 5 figs

  3. Some measurements of H/D polarizability isotope effects using differential refractometry

    International Nuclear Information System (INIS)

    Foster Smith, M.; Van Hook, W.A.

    1989-01-01

    Refractive index differences between the H and D isomers of some common molecules in the liquid phase were measured between 404.7 and 690.0 nm. The data are combined with information on molar volume isotope effects to yield values for H/D isotope effects on the static polarizability, the vibrational contribution to the static and frequency dependent parts of the polarizability, and the H/D isotope effect on the second moment of the electronic charge distribution. The present results suffice to demonstrate the practicability of this technique to measure the components of the polarizability listed above. However for accurate resolution of the vibrational and second moment contributions, refractive index data of still greater precision will be required. (orig.)

  4. Effect of substituents on polarizability and hyperpolarizability values of benzimidazole metal complexes

    Energy Technology Data Exchange (ETDEWEB)

    Praveen, P. A.; Babu, R. Ramesh, E-mail: rampap2k@yahoo.co.in [Crystal Growth and Thin films Laboratory, Department of Physics, Bharathidasan University, Tiruchirappalli - 620 024, Tamilnadu (India)

    2016-05-23

    In this report, the polarizability and first and second order hyperpolarizability values of bis benzimidazole Zn(II)-2R and bis benzimidazole Cd(II)-2R complexes, with different electron donating moieties R (R= Cl, Br, I, Acetate) were calculated using time dependent Hartree-Fock (TDHF) formalism embedded in MOPAC2012 package. Further the role of substituents on polarizability and hyperpolarizability values is investigated for the first time by analyzing the frontier molecular orbitals of the complexes with respect to the electronegativity of the substituents. It is found that the increase in electronegativity of the substituents correspondingly increases the energy gap of the molecules, which in turn reduces the polarizability values of both Zn and Cd benzimidazole complexes. Similarly, increase in electronegativity reduces the electric quadrupole moments of both the metal complexes, which in turn reduces the hyperpolarizability values.

  5. Comparison of self-consistent calculations of the static polarizability of atoms and molecules

    International Nuclear Information System (INIS)

    Moullet, I.; Martins, J.L.

    1990-01-01

    The static dipole polarizabilities and other ground-state properties of H, H 2 , He, Na, and Na 2 are calculated using five different self-consistent schemes: Hartree--Fock, local spin density approximation, Hartree--Fock plus local density correlation, self-interaction-corrected local spin density approximation, and Hartree--Fock plus self-interaction-corrected local density correlation. The inclusion of the self-interaction corrected local spin density approximation in the Hartree--Fock method improves dramatically the calculated dissociation energies of molecules but has a small effect on the calculated polarizabilities. Correcting the local spin density calculations for self-interaction effects improves the calculated polarizability in the cases where the local spin density results are mediocre, and has only a small effect in the cases where the local spin density values are in reasonable agreement with experiment

  6. Sustainable Energy, Water and Environmental Systems

    DEFF Research Database (Denmark)

    Østergaard, Poul Alberg; Duic, Neven

    2014-01-01

    This issue presents research results from the 8th Conference on Sustainable Development of Energy, Water and Environment Systems – SDEWES - held in Dubrovnik, Croatia in 2013. Topics covered here include the energy situation in the Middle East with a focus in Cyprus and Israel, energy planning...... methodology with Ireland as a case and the applicability of energy scenarios modelling tools as a main focus, evaluation of energy demands in Italy and finally evaluation of underground cables vs overhead lines and lacking public acceptance of incurring additional costs for the added benefit of having...

  7. Biological stability in drinking water distribution systems : A novel approach for systematic microbial water quality monitoring

    NARCIS (Netherlands)

    Prest, E.I.E.D.

    2015-01-01

    Challenges to achieve biological stability in drinking water distribution systems Drinking water is distributed from the treatment facility to consumers through extended man-made piping systems. The World Health Organization drinking water guidelines (2006) stated that “Water entering the

  8. Contamination Control and Monitoring of Tap Water as Fluid in Industrial Tap Water Hydraulic Systems

    DEFF Research Database (Denmark)

    Conrad, Finn; Adelstorp, Anders

    1998-01-01

    Presentation of results and methods addressed to contamination control and monitoring of tap water as fluid in tap water hydraulic systems.......Presentation of results and methods addressed to contamination control and monitoring of tap water as fluid in tap water hydraulic systems....

  9. Chapter 13. Industrial Application of Tap Water Hydraulic Systems

    DEFF Research Database (Denmark)

    Conrad, Finn; Adelstorp, Anders

    1997-01-01

    Design and application of modern pure tap water components and systems in industries, in particular food processing industry.......Design and application of modern pure tap water components and systems in industries, in particular food processing industry....

  10. Nitrification in Chloraminated Drinking Water Distribution Systems - Occurrence

    Science.gov (United States)

    This chapter discusses available information on nitrification occurrence in drinking water chloraminated distribution systems. Chapter 4 provides an introduction to causes and controls for nitrification in chloraminated drinking water systems. Both chapters are intended to serve ...

  11. Chapter 12. Pure Tap Water Hydraulic Systems and Applications

    DEFF Research Database (Denmark)

    Conrad, Finn; Adelstorp, Anders

    1997-01-01

    Presentation of developed a modern pure tap water hydraulic components (Nessie), systems and industrial applications.......Presentation of developed a modern pure tap water hydraulic components (Nessie), systems and industrial applications....

  12. Deposit control in process cooling water systems

    International Nuclear Information System (INIS)

    Venkataramani, B.

    1981-01-01

    In order to achieve efficient heat transfer in cooling water systems, it is essential to control the fouling of heat exchanger surfaces. Solubilities of scale forming salts, their growth into crystals, and the nature of the surfaces play important roles in the deposition phenomenon. Condensed phosphates, organic polymers and compounds like phosphates are effective in controlling deposition of scale forming salts. The surface active agents inhibit crystal growth and modify the crystals of the scale forming salts, and thus prevent deposition of dense, uniformly structured crystalline mass on the heat transfer surface. Understanding the mechanism of biofouling is essential to control it by surface active agents. Certain measures taken in the plant, such as back flushing, to control scaling, sometimes may not be effective and can be detrimental to the system itself. (author)

  13. In-Water Hull Cleaning & Filtration System

    Science.gov (United States)

    George, Dan

    2015-04-01

    Dan George R & D Mining Technology LinkedIn GRD Franmarine have received the following prestigious awards in 2014 for their research & development of an in-water hull cleaning and filtration system "The Envirocart: Golden Gecko Award for Environmental Excellence; WA Innovator of the Year - Growth Sector; Department of Fisheries - Excellence in Marine Biosecurity Award - Innovation Category; Lloyd's List Asia Awards - Environmental Award; The Australian Innovation Challenge - Environment, Agriculture and Food Category; and Australian Shipping and Maritime Industry Award - Environmental Transport Award. The Envirocart developed and patented by GRD Franmarine is a revolutionary new fully enclosed capture and containment in-water hull cleaning technology. The Envirocart enables soft Silicon based antifouling paints and coatings containing pesticides such as Copper Oxide to be cleaned in situ using a contactless cleaning method. This fully containerised system is now capable of being deployed to remote locations or directly onto a Dive Support Vessel and is rated to offshore specifications. This is the only known method of in-water hull cleaning that complies with the Department of Agriculture Fisheries and Forestry (DAFF) and Department of Fisheries WA (DoF) Guidelines. The primary underwater cleaning tool is a hydraulically powered hull cleaning unit fitted with rotating discs. The discs can be fitted with conventional brushes for glass or epoxy based coatings or a revolutionary new patented blade system which can remove marine biofouling without damaging the antifouling paint (silicone and copper oxide). Additionally there are a patented range of fully enclosed hand cleaning tools for difficult to access niche areas such as anodes and sea chests, providing an innovative total solution that enables in-water cleaning to be conducted in a manner that causes no biological risk to the environment. In full containment mode or when AIS are present, material is pumped

  14. Complexation reactions in pyridine and 2,6-dimethylpyridine-water system: The quantum-chemical description and the path to liquid phase separation

    Science.gov (United States)

    Chernia, Zelig; Tsori, Yoav

    2018-03-01

    Phase separation in substituted pyridines in water is usually described as an interplay between temperature-driven breakage of hydrogen bonds and the associating interaction of the van der Waals force. In previous quantum-chemical studies, the strength of hydrogen bonding between one water and one pyridine molecules (the 1:1 complex) was assigned a pivotal role. It was accepted that the disassembly of the 1:1 complex at a critical temperature leads to phase separation and formation of the miscibility gap. Yet, for over two decades, notable empirical data and theoretical arguments were presented against that view, thus revealing the need in a revised quantum-mechanical description. In the present study, pyridine-water and 2,6-dimethylpyridine-water systems at different complexation stages are calculated using high level Kohn-Sham theory. The hydrophobic-hydrophilic properties are accounted for by the polarizable continuum solvation model. Inclusion of solvation in free energy of formation calculations reveals that 1:1 complexes are abundant in the organically rich solvents but higher level oligomers (i.e., 2:1 dimers with two pyridines and one water molecule) are the only feasible stable products in the more polar media. At the critical temperature, the dissolution of the external hydrogen bonds between the 2:1 dimer and the surrounding water molecules induces the demixing process. The 1:1 complex acts as a precursor in the formation of the dimers but is not directly involved in the demixing mechanism. The existence of the miscibility gap in one pyridine-water system and the lack of it in another is explained by the ability of the former to maintain stable dimerization. Free energy of formation of several reaction paths producing the 2:1 dimers is calculated and critically analyzed.

  15. Life cycle management of service water systems

    International Nuclear Information System (INIS)

    Egan, Geoffrey R.; Besuner, Philip M.; Mahajan, Sat P.

    2004-01-01

    As nuclear plants age, more attention must focus on age and time dependent degradation mechanisms such as corrosion, erosion, fatigue, etc. These degradation mechanisms can best be managed by developing a life cycle management plan which integrates past historical data, current conditions and future performance needs. In this paper we present two examples of life cycle management. In the first example, the 20-year maintenance history of a sea water cooling system (cement-lined, cast iron) is reviewed to develop attributes like maintenance cost, spare part inventory, corrosion, and repair data. Based on this information, the future expected damage rate was forecast. The cost of managing the future damage was compared with the cost to replace (in kind and with upgraded materials. A decision optimization scheme was developed to choose the least cost option from: a) Run as-is and repair; b) replace in kind; or c) replace with upgraded material and better design. In the second example, life cycle management techniques were developed for a ceilcote lined steel pipe cooling water system. Screens (fixed and traveling), filters, pumps, motors, valves, and piping were evaluated. (author)

  16. Manganese deposition in drinking water distribution systems.

    Science.gov (United States)

    Gerke, Tammie L; Little, Brenda J; Barry Maynard, J

    2016-01-15

    This study provides a physicochemical assessment of manganese deposits on brass and lead components from two fully operational drinking water distributions systems. One of the systems was maintained with chlorine; the other, with secondary chloramine disinfection. Synchrotron-based in-situ micro X-ray adsorption near edge structure was used to assess the mineralogy. In-situ micro X-ray fluorescence mapping was used to demonstrate the spatial relationships between manganese and potentially toxic adsorbed metal ions. The Mn deposits ranged in thickness from 0.01 to 400 μm. They were composed primarily of Mn oxides/oxhydroxides, birnessite (Mn(3+) and Mn(4+)) and hollandite (Mn(2+) and Mn(4+)), and a Mn silicate, braunite (Mn(2+) and Mn(4+)), in varying proportions. Iron, chromium, and strontium, in addition to the alloying elements lead and copper, were co-located within manganese deposits. With the exception of iron, all are related to specific health issues and are of concern to the U.S. Environmental Protection Agency (U.S. EPA). The specific properties of Mn deposits, i.e., adsorption of metals ions, oxidation of metal ions and resuspension are discussed with respect to their influence on drinking water quality. Copyright © 2015 Elsevier B.V. All rights reserved.

  17. Hydrogeology and water quality of the shallow ground-water system in eastern York County, Virginia. Water resources investigation

    International Nuclear Information System (INIS)

    1993-01-01

    The report describes the hydrogeology and water quality of the shallow ground-water system in the eastern part of York County, Va. The report includes a discussion of (1) the aquifers and confining units, (2) the flow of ground water, and (3) the quality of ground water. The report is an evaluation of the shallow ground-water system and focuses on the first 200 ft of sediments below land surface. Historical water-level and water-quality data were not available for the study area; therefore, a network of observation wells was constructed for the study. Water levels were measured to provide an understanding of the flow of ground water through the multiaquifer system. Water samples were collected and analyzed for major inorganic constituents, nutrients, and metals. The report presents maps that show the regional distribution of chloride and iron concentrations. Summary statistics and graphical summaries of selected chemical constituents provide a general assessment of the ground-water quality

  18. Advanced feed water distributing system for WWER 440 steam generators

    International Nuclear Information System (INIS)

    Matal, O.; Klinga, J.; Grazl, K.; Tischler, J.; Mihalik, M.

    1995-01-01

    The original designed feed water distributing system was replaced by an advanced one. The characteristics of both feed water distributing systems have been measured and evaluated. The paper deals with the problems of measurement and evaluation of both feed water distributing system characteristics and comparison of statistical data obtained. (orig.)

  19. Advanced feed water distributing system for WWER 440 steam generators

    Energy Technology Data Exchange (ETDEWEB)

    Matal, O.; Klinga, J. [Energovyzkum Ltd, Brno (Switzerland); Grazl, K. [Vitkovice s.c., Ostrava (Switzerland); Tischler, J.; Mihalik, M. [SEP Atomove Elektrarne Bohunice (Slovakia)

    1995-12-31

    The original designed feed water distributing system was replaced by an advanced one. The characteristics of both feed water distributing systems have been measured and evaluated. The paper deals with the problems of measurement and evaluation of both feed water distributing system characteristics and comparison of statistical data obtained. (orig.). 3 refs.

  20. WATER QUALITY EARLY WARNING SYSTEMS FOR SOURCE WATER PROTECTION

    Science.gov (United States)

    Source waters of the U.S. are vulnerable to natural and anthropogenic factors affecting quality for use as both a drinking water and ecological media. Important factors include physical parameters such as increased turbidity, ecological cycles such as algal blooms, and episodic ...

  1. K West integrated water treatment system subproject safety analysis document

    International Nuclear Information System (INIS)

    SEMMENS, L.S.

    1999-01-01

    This Accident Analysis evaluates unmitigated accident scenarios, and identifies Safety Significant and Safety Class structures, systems, and components for the K West Integrated Water Treatment System

  2. K West integrated water treatment system subproject safety analysis document

    Energy Technology Data Exchange (ETDEWEB)

    SEMMENS, L.S.

    1999-02-24

    This Accident Analysis evaluates unmitigated accident scenarios, and identifies Safety Significant and Safety Class structures, systems, and components for the K West Integrated Water Treatment System.

  3. Study on measuring social cost of water pollution: concentrated on Han River water system

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Kwang Im; Min, Dong Gee; Chung, Hoe Seong; Lim, Hyun Jeong; Kim, Mee Sook [Korea Environment Institute, Seoul (Korea)

    1999-12-01

    Following the economic development and the progress of urbanization, the damage on water pollution has been more serious but a social cost caused by water pollution cannot be measured. Although the need of water quality preservation is emphasized, a base material for public investment on enhancing water quality preservation is not equipped yet due to the absence of economic values of water resource. Therefore it measured a cost generated by leaving pollution not treated water quality in this study. To measure the usable value of water resource or the cost of water pollution all over the country should include a national water system, but this study is limited on the mainstream of Han River water system from North Han River through Paldang to Chamsil sluice gates. Further study on Nakdong River and Keum River water systems should be done. 74 refs., 4 figs., 51 tabs.

  4. Detection system for continuous 222Rn monitoring in waters

    International Nuclear Information System (INIS)

    Holy, K.; Patschova, E.; Bosa, I.; Polaskova, A.; Hola, O.

    2001-01-01

    This contribution presents one of the high-sensitive systems of continuous radon monitoring in waters. The device can be used for the continual control of 222 Rn activity concentration in water sources, for a study of the daily and seasonal variations of radon activity concentration in water systems, for the determination of the infiltration time of surface water into the ground water and for the next untraditional applications. (authors)

  5. Modeling water quality in distribution systems

    National Research Council Canada - National Science Library

    Clark, Robert Maurice

    2012-01-01

    ... . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4 Effects of Climate Change . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5 Organization of Water Supplies in the United...

  6. Enhanced monitor system for water protection

    Science.gov (United States)

    Hill, David E [Knoxville, TN; Rodriquez, Jr., Miguel [Oak Ridge, TN; Greenbaum, Elias [Knoxville, TN

    2009-09-22

    An automatic, self-contained device for detecting toxic agents in a water supply includes an analyzer for detecting at least one toxic agent in a water sample, introducing a means for introducing a water sample into the analyzer and discharging the water sample from the analyzer, holding means for holding a water sample for a pre-selected period of time before the water sample is introduced into the analyzer, and an electronics package that analyzes raw data from the analyzer and emits a signal indicating the presence of at least one toxic agent in the water sample.

  7. A model with charges and polarizability for CS₂ in an ionic liquid

    Indian Academy of Sciences (India)

    The environment of a solute molecule in an ionic liquid is likely to have large fluctuating electrostatic fields, and so the electrostatic properties of such a solute including its charge distribution and its polarizability may make a difference to both its static and dynamic properties. We have developed a new model forthe static ...

  8. Bulkiness versus anisotropy: The optimal shape of polarizable Brownian nanoparticles for alignment in electric fields

    NARCIS (Netherlands)

    Kwaadgras, B.W.; Dijkstra, M.; van Roij, R.H.H.G.

    2012-01-01

    Self-assembly and alignment of anisotropic colloidal particles are important processes that can be influenced by external electric fields. However, dielectric nanoparticles are generally hard to align this way because of their small size and low polarizability. In this work, we employ the coupled

  9. Electron polarizability of crystalline solids in quantizing magnetic fields and topological gap numbers

    Czech Academy of Sciences Publication Activity Database

    Středa, Pavel; Jonckheere, T.; Martin, T.

    2008-01-01

    Roč. 100, - (2008), 146804/1-146804/4 ISSN 0031-9007 R&D Projects: GA ČR GA202/05/0365 Institutional research plan: CEZ:AV0Z10100521 Keywords : electron polarizability * quantum Hall effect * topological numbers Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 7.180, year: 2008

  10. Transcendental-function representation of Stark-modified hydrogenic states and atomic dipole polarizability

    Energy Technology Data Exchange (ETDEWEB)

    Bhattacharya, A.; Talukdar, B. [Department of Physics, Visva-Bharati University, Santiniketan (India); Banerji, G. [Mathematics Department, BU, Burdwan (India); Roy, U. [Theoretical Physics Department, IACS, Calcutta (India)

    1998-01-30

    A differential equation approach to the perturbation theoretic correction for excited hydrogenic states is introduced. The radial equations for the problem are solved in terms of known transcendental functions and the method to determine the complete primitive is discussed. The constructed perturbative correction to the wavefunction is adapted to evaluate the dipole polarizability of hydrogenic atoms. (author)

  11. A model with charges and polarizability for CS2 in an ionic liquid

    Indian Academy of Sciences (India)

    RUTH M LYNDEN-BELL

    : CS2(C) and ring C1; red-dashed: CS2(S) and ring C1: .... The red curve shows the probability distribution of induced dipoles on the C site (which is purely axial as the polarizability is axial). The values of the C site dipole follow a Gaussian.

  12. Quadrupole polarizabilities of the pion in the Nambu-Jona-Lasinio model

    International Nuclear Information System (INIS)

    Hiller, B.; Broniowski, W.; Osipov, A.A.; Blin, A.H.

    2009-01-01

    The electromagnetic dipole and quadrupole polarizabilities of the neutral and charged pions are calculated in the Nambu-Jona-Lasinio model. Our results agree with the recent experimental analysis of these quantities based on dispersion sum rules. Comparison is made with the results from the chiral perturbation theory.

  13. The static polarizability and second hyperpolarizability of fullerenes and carbon nanotubes

    NARCIS (Netherlands)

    Jensen, L; Astrand, PO; Mikkelsen, KV

    2004-01-01

    Utilizing a point-dipole interaction model, we present an investigation of the static polarizability and second hyperpolarizability of fullerenes and carbon nanotubes by varying their structure. The following effects are investigated: (1) the length dependence of the components of the static

  14. ''Atomic'' Bremsstrahlung or polarizational radiation in collision of many-electron ions

    International Nuclear Information System (INIS)

    Amusia, M.Ya.; Solov'yov, A.V.

    1991-01-01

    In this work the so-called ''Atomic'' bremsstrahlung (AB) or polarizational radiation, created in collisions of atoms or ions, is discussed. This kind of radiation arises due to the polarization of the electron shell of colliding particles. It is created by the structured projectiles and targets if the constituents are electrically charged. 6 refs, 2 figs

  15. Impact of graphene on the polarizability of a neighbour nanoparticle: A dyadic green's function study

    DEFF Research Database (Denmark)

    Amorim, B.; Dias Gonçalves, Paulo André; Vasilevskiy, M. I.

    2017-01-01

    produces a large enhancement of the real and imaginary parts of the renormalized polarizability. We show that the imaginary part can be changed by a factor of up to 100 relative to its value in the absence of graphene. We also show that the resonance in the case of the grating is narrower than...

  16. Electric dipole, polarizability and structure of cesium chloride clusters with one-excess electron

    International Nuclear Information System (INIS)

    Jraij, A.; Allouche, A.R.; Rabilloud, F.; Korek, M.; Aubert-Frecon, M.; Rayane, D.; Compagnon, I.; Antoine, R.; Broyer, M.; Dugourd, Ph.

    2006-01-01

    The measurement of the electric dipole of gas phase one-excess electron Cs n Cl n-1 clusters is reported together with a theoretical ab initio prediction of stable structures, dipole moments and electronic polarizabilities for these species in their ground state. Results are in agreement with NaCl cubic structures

  17. Calculation of dipole polarizability derivatives of adamantane and their use in electron scattering computations

    DEFF Research Database (Denmark)

    Sauer, Stephan P. A.; Paidarová, Ivana; Čársky, Petr

    2016-01-01

    that the polarizability tensor is necessary to correct long-range behavior of DFT functionals used in electron-molecule scattering calculations. The impact of such a long-range correction is demonstrated on elastic and vibrationally inelastic electron collisions with adamantane, a molecule representing a large polyatomic...

  18. Design package for solar domestic hot water system

    Energy Technology Data Exchange (ETDEWEB)

    None

    1980-09-01

    Information used to evaluate the initial design of the Elcam, Inc., Solar Domestic Hot Water System is presented. Included are such items as the system performance specification, detailed design drawings and other information. Elcam, Inc., has developed two solar heated prototype hot water systems and two heat exchangers. The hot water systems consist of the following subsystems: collector, storage, control, transport, auxiliary energy, and government-furnished Site Data Acquisition. The two systems are installed at Tempe, Arizona, and San Diego, California.

  19. Electrochemical Solvent Reorganization Energies in the Framework of the Polarizable Continuum Model.

    Science.gov (United States)

    Ghosh, Soumya; Horvath, Samantha; Soudackov, Alexander V; Hammes-Schiffer, Sharon

    2014-05-13

    Electron transfer reactions at electrochemical interfaces play a critical role in a wide range of catalytic processes. A key parameter in the rate constant expressions for such processes is the reorganization energy, which reflects the energetic cost of the solute and solvent rearrangements upon electron transfer. In this paper, we present dielectric continuum methods for calculating the solvent reorganization energy for electrochemical processes. We develop a method for calculating the electrochemical solvent reorganization energies with molecular-shaped cavities within the framework of the polarizable continuum model (PCM). The electronic and inertial responses of the solvent are separated according to their respective time scales, and two limiting cases of the relation between the solute and solvent electrons are examined. The effects of the electrode are included with the integral equations formalism PCM (IEF-PCM), in which the molecule-solvent boundary is treated explicitly, but the effects of the electrode-solvent boundary are included through an external Green's function. This approach accounts for the effects of detailed molecular charge redistribution in a molecular-shaped cavity, as well as the electronic and inertial solvent responses and the effects of the electrode. The calculated total reorganization energies are in reasonable agreement with experimental measurements for a series of electrochemical systems. Inclusion of the effects of the electrode is found to be essential for obtaining even qualitatively accurate solvent reorganization energies. These approaches are applicable to a wide range of systems and can be extended to include other types of boundaries, such as a self-assembled monolayer or double layer separating the electrode and the molecule.

  20. Water contamination events in UK drinking-water supply systems.

    Science.gov (United States)

    Gray, John

    2008-01-01

    Water supply companies in the UK have a duty under prime UK legislation to notify the Drinking Water Inspectorate of events affecting or potentially affecting the quality of drinking-water supplies. Under the same legislation, the Inspectorate has a duty to investigate each event. After assessing all of the information available, including companies' reports, the Inspectorate advises on the way in which the event was handled and whether any statutory requirements were contravened. If appropriate, a prosecution of the water company may be initiated. Copies of the assessment are sent to the water company, relevant local and health authorities, Ofwat (the economic regulator), the regional Consumer Council for Water and any other interested parties, including consumers who request it. Generic guidance may be issued to the industry on matters of wider concern. This paper considers the role of the Inspectorate, the powers available to it and reporting arrangements. An overview is presented of events that occurred between 1990 and 2005 and common features are identified. Causes of different types of event are discussed. The importance of well-established contacts between the various interested parties involved in protecting public health is emphasised through discussion of example incidents.

  1. Water hammers in direct contact heater systems

    International Nuclear Information System (INIS)

    Uffer, R.

    1983-01-01

    This paper discusses the causes and mitigation or prevention of water hammers occurring in direct contact heaters and their attached lines. These water hammers are generally caused by rapid pressure reductions in the heaters or by water lines not flowing full. Proper design and operating measures can prevent or mitigate water hammer occurrence. Water hammers often do not originate at the areas where damage is noted

  2. INTEGRATED WATER TREATMENT SYSTEM PERFORMANCE EVALUATION

    International Nuclear Information System (INIS)

    Sexton, R.A.; Meeuwsen, W.E.

    2009-01-01

    This document describes the results of an evaluation of the current Integrated Water Treatment System (IWTS) operation against design performance and a determination of short term and long term actions recommended to sustain IWTS performance. The KW IWTS was designed to treat basin water and maintain basin clarity during fuel retrieval, washing, and packaging activities in the KW Basin. The original design was based on a mission that was limited to handling of KW Basin fuel. The use of the IWTS was extended by the decision to transfer KE fuel to KW to be cleaned and packaged using KW systems. The use was further extended for the packaging of two more Multi-Canister Overpacks (MCOs) containing legacy fuel and scrap. Planning is now in place to clean and package Knock Out Pot (KOP) Material in MCOs using these same systems. Some washing of KOP material in the Primary Cleaning Machine (PCM) is currently being done to remove material that is too small or too large to be included in the KOP Material stream. These plans will require that the IWTS remain operational through a campaign of as many as 30 additional MCOs, and has an estimated completion date in 2012. Recent operation of the IWTS during washing of canisters of KOP Material has been impacted by low pressure readings at the inlet of the P4 Booster Pump. The system provides a low pressure alarm at 10 psig, and low-low pressure interlock at 5 psig. The response to these low readings has been to lower total system flow to between 301 and 315 gpm. In addition, the IWTS operator has been required to operate the system in manual mode and make frequent adjustments to the P4 booster pump speed during PCM washes. The preferred mode of operation is to establish a setpoint of 317 gpm for the P4 pump speed and run IWTS in semi-automatic mode. Based on hydraulic modeling compared to field data presented in this report, the low P4 inlet pressure is attributed to restrictions in the 2-inch KOP inlet hose and in the KOP itself

  3. Design and construction of a water treatment system

    International Nuclear Information System (INIS)

    Sanaat, H.A.

    1985-01-01

    A physico-chemical water treatment system including a clarifier and a cation ion-exchange column of sodium cycle has been designed and constructed to obtain experience in design and technology of these systems. Water hardness is reduced from 500 PPM to zero PPM by reaction of lime with raw water in clarifier and passage of this partially softened water through the cation ion-exchange column for complete softening. The system has the capacity of treating 30,000 liters of water per cycle of operation. Ascending water velocity in the clarifier and volume and concentration of the regenerant and flow rate of water in the cation ion-exchange column have been experimentally determined. The project has enhanced and upgraded ENTEC'S water experts abilities to design and construct water treatment systems at higher industrial scales. (Author)

  4. Water Resources Compound Systems: A Macro Approach to Analysing Water Resource Issues under Changing Situations

    Directory of Open Access Journals (Sweden)

    Wei Wang

    2015-12-01

    Full Text Available Water resource crises are an increasing threat to human survival and development. To reveal the nature of water resource issues under changing situations, the water resources system needs to be studied from a macro and systematic perspective. This report develops a water resources system into a water resources compound system that is constantly evolving under the combined action of the development, resistant, and coordination mechanisms. Additionally, the water quotient is defined as a quantitative representation of the sustainable development state of the water resources compound system. Four cities in China, Beijing, Fuzhou, Urumqi, and Lhasa, were selected as the study areas. The differences in the three types of mechanisms and the water quotient of the water resources compound system of each city in 2013 were compared. The results indicate that the different subsystems that comprise the compound system of a given area have different development mechanisms and resistant mechanisms. There are clear differences in the mechanisms and the water quotients for the water resources compound systems of different regions. Pertinent measures should be taken into account during integrated water resource management to improve the sustainable development status of regional water resources compound systems.

  5. Sand-Filtration System For Improving Water Quality For Rural ...

    African Journals Online (AJOL)

    Sand-Filtration System For Improving Water Quality For Rural Community Water Supply. AY Karikari, JA Ampofo. Abstract. The performance of a pilot sand filtration plant for a small town water supply was monitored over a seven month period to evaluate the physico-chemical and bacteriological quality of the filtered water ...

  6. Metolachlor and atrazine fate in surface water systems

    Energy Technology Data Exchange (ETDEWEB)

    Rice, P.J.; Anderson, T.A.; Coats, J.R. [Iowa State Univ., Ames, IA (United States)

    1995-12-31

    The detection of pesticides in surface water and ground water provokes concern involving human health risks associated with pesticide exposure. Monitoring studies of surface waters have detected concentrations of herbicides that exceed the U.S. Environmental Protection Agency proposed maximum contamination level (MCL) for drinking water. Conventional water treatment processes do not remove many herbicides. Tap water drawn from surface-water sources has been reported to contain levels of herbicides above the regulatory limits. There is current interest in the use of artificial wetlands and macrophyte-cultured ponds in waste-water-treatment systems. Aquatic plant-based water treatment systems improve waste water effluent by solid filtration and nutrient assimilation. Various aquatic plants have been shown to accumulate metals, absorb inorganic ions, and accelerate the biodegradation of complex organics. Our research evaluates the fate of metolachlor and atrazine in surface water, surface water/sediment, and surface water/aquatic plant incubation systems to study the influence of sediment and aquatic plants in the removal and biotransformation of herbicides from contaminated waters. Aquatic macrophyte systems may prove to be useful in the remediation of herbicide contaminated surface waters in water treatment facilities or in the reduction of herbicide concentrations from tile drain effluents prior to entering watersheds.

  7. Integrated water management system - Description and test results. [for Space Station waste water processing

    Science.gov (United States)

    Elden, N. C.; Winkler, H. E.; Price, D. F.; Reysa, R. P.

    1983-01-01

    Water recovery subsystems are being tested at the NASA Lyndon B. Johnson Space Center for Space Station use to process waste water generated from urine and wash water collection facilities. These subsystems are being integrated into a water management system that will incorporate wash water and urine processing through the use of hyperfiltration and vapor compression distillation subsystems. Other hardware in the water management system includes a whole body shower, a clothes washing facility, a urine collection and pretreatment unit, a recovered water post-treatment system, and a water quality monitor. This paper describes the integrated test configuration, pertinent performance data, and feasibility and design compatibility conclusions of the integrated water management system.

  8. Water chemistry diagnosis system for nuclear power plants

    International Nuclear Information System (INIS)

    Igarashi, Hiroo; Koya, Hiroshi; Osumi, Katsumi.

    1990-01-01

    The water quality control for the BWRs in Japan has advanced rapidly recently, and as to the dose reduction due to the decrease of radioactivity, Japan takes the position leading the world. In the background of the advanced water quality control like this and the increase of nuclear power plants in operation, the automation of arranging a large quantity of water quality control information and the heightening of its reliability have been demanded. Hitachi group developed the water quality synthetic control system which comprises the water quality data management system to process a large quantity of water quality data with a computer and the water quality diagnosis system to evaluate the state of operation of the plants by the minute change of water quality and to carry out the operational guide in the aspect of water quality control. To this water quality diagnosis system, high speed fuzzy inference is applied in order to do rapid diagnosis with fuzzy data. The trend of development of water quality control system, the construction of the water quality synthetic control system, the configuration of the water quality diagnosis system and the development of algorithm and the improvement of the reliability of maintenance are reported. (K.I.)

  9. The future of water resources systems analysis: Toward a scientific framework for sustainable water management

    Science.gov (United States)

    Brown, Casey M.; Lund, Jay R.; Cai, Ximing; Reed, Patrick M.; Zagona, Edith A.; Ostfeld, Avi; Hall, Jim; Characklis, Gregory W.; Yu, Winston; Brekke, Levi

    2015-08-01

    This paper presents a short history of water resources systems analysis from its beginnings in the Harvard Water Program, through its continuing evolution toward a general field of water resources systems science. Current systems analysis practice is widespread and addresses the most challenging water issues of our times, including water scarcity and drought, climate change, providing water for food and energy production, decision making amid competing objectives, and bringing economic incentives to bear on water use. The emergence of public recognition and concern for the state of water resources provides an opportune moment for the field to reorient to meet the complex, interdependent, interdisciplinary, and global nature of today's water challenges. At present, water resources systems analysis is limited by low scientific and academic visibility relative to its influence in practice and bridled by localized findings that are difficult to generalize. The evident success of water resource systems analysis in practice (which is set out in this paper) needs in future to be strengthened by substantiating the field as the science of water resources that seeks to predict the water resources variables and outcomes that are important to governments, industries, and the public the world over. Doing so promotes the scientific credibility of the field, provides understanding of the state of water resources and furnishes the basis for predicting the impacts of our water choices.

  10. 21 CFR 884.6170 - Assisted reproduction water and water purification systems.

    Science.gov (United States)

    2010-04-01

    ... 21 Food and Drugs 8 2010-04-01 2010-04-01 false Assisted reproduction water and water purification... HUMAN SERVICES (CONTINUED) MEDICAL DEVICES OBSTETRICAL AND GYNECOLOGICAL DEVICES Assisted Reproduction Devices § 884.6170 Assisted reproduction water and water purification systems. (a) Identification...

  11. Identification and characterization of steady and occluded water in drinking water distribution systems.

    Science.gov (United States)

    Tong, Huiyan; Zhao, Peng; Zhang, Hongwei; Tian, Yimei; Chen, Xi; Zhao, Weigao; Li, Mei

    2015-01-01

    Deterioration and leakage of drinking water in distribution systems have been a major issue in the water industry for years, which are associated with corrosion. This paper discovers that occluded water in the scales of the pipes has an acidic environment and high concentration of iron, manganese, chloride, sulfate and nitrate, which aggravates many pipeline leakage accidents. Six types of water samples have been analyzed under the flowing and stagnant periods. Both the water in the exterior of the tubercles and stagnant water carry suspended iron particles, which explains the occurrence of "red water" when the system hydraulic conditions change. Nitrate is more concentrated in occluded water under flowing condition in comparison with that in flowing water. However, the concentration of nitrate in occluded water under stagnant condition is found to be less than that in stagnant water. A high concentration of manganese is found to exist in steady water, occluded water and stagnant water. These findings impact secondary pollution and the corrosion of pipes and containers used in drinking water distribution systems. The unique method that taking occluded water from tiny holes which were drilled from the pipes' exteriors carefully according to the positions of corrosion scales has an important contribution to research on corrosion in distribution systems. And this paper furthers our understanding and contributes to the growing body of knowledge regarding occluded environments in corrosion scales. Copyright © 2014 Elsevier Ltd. All rights reserved.

  12. Alkali metal and ammonium chlorides in water and heavy water (binary systems)

    CERN Document Server

    Cohen-Adad, R

    1991-01-01

    This volume surveys the data available in the literature for solid-fluid solubility equilibria plus selected solid-liquid-vapour equilibria, for binary systems containing alkali and ammonium chlorides in water or heavy water. Solubilities covered are lithium chloride, sodium chloride, potassium chloride, rubidium chloride, caesium chloride and ammonium chloride in water and heavy water.

  13. Model Predictive Control for Operational Water Management : A Case Study of the Dutch Water System

    NARCIS (Netherlands)

    Tian, X.

    2015-01-01

    Water is needed everywhere to satisfy domestic, agricultural and industrial water demands, to maintain navigation systems, and to preserve healthy and sustainable ecosystems. In order to protect us from floods and to reallocate water resources in a man-made environment, the 'hardware', water-related

  14. Information Theory for Risk-based Water System Operation

    NARCIS (Netherlands)

    Weijs, S.V.

    2011-01-01

    Operational management of water resources needs predictions of future behavior of water systems, to anticipate shortage or excess of water in a timely manner. Because the natural systems that are part of the hydrological cycle are complex, the predictions inevitably are subject to considerable

  15. The effect of water purification systems on fluoride content of drinking water

    Directory of Open Access Journals (Sweden)

    Prabhakar A

    2008-03-01

    Full Text Available Objective: The purpose of the present study was to determine the effect of different water purification systems on the fluoride content of drinking water and to compare the efficacy of these water purification systems in reducing the fluoride content. Materials and Methods: Five different water purification systems were tested in this study. They were reverse osmosis, distillation, activated carbon, Reviva ® , and candle filter. The water samples in the study were of two types, viz, borewell water and tap water, these being commonly used by the people of Davangere City, Karnataka. The samples were collected before and after purification, and fluoride analysis was done using fluoride ion-specific electrode. Results: The results showed that the systems based on reverse osmosis, viz, reverse osmosis system and Reviva ® showed maximum reduction in fluoride levels, the former proving to be more effective than the latter; followed by distillation and the activated carbon system, with the least reduction being brought about by candle filter. The amount of fluoride removed by the purification system varied between the system and from one source of water to the other. Interpretation and Conclusion: Considering the beneficial effects of fluoride on caries prevention; when drinking water is subjected to water purification systems that reduce fluoride significantly below the optimal level, fluoride supplementation may be necessary. The efficacy of systems based on reverse osmosis in reducing the fluoride content of water indicates their potential for use as defluoridation devices.

  16. Simulating the physicochemical properties of borosilicate and lanthanum borosilicate glasses using a polarizable force field

    International Nuclear Information System (INIS)

    Pacaud, Fabien

    2016-01-01

    as result of the nuclear waste vitrification, the knowledge and understanding of the dynamic and structural properties of glasses, including the behavior of radionuclides, is important (in liquid and solid phases). It can influence the glass waste properties, the lifetime of the vitrification process and the amount of radionuclides introduced in the glass matrix. Molecular dynamic simulations have been done to study the influence of the glass matrix composition into the structural and dynamic properties of the glass. a simplified glass, with 3 major oxides of the R7T7 glass such as SiO 2 , B 2 O 3 and Na 2 O, have been used to simulate the R7T7 industrial nuclear glass (a 30 oxides glass). The inclusion of La 2 O 3 allows us to simulate the impact of fission products and minor actinides into the properties of the glass matrix. Both systems, the SiO 2 -B 2 O 3 -Na 2 O and SiO 2 -B 2 O 3 -Na 2 O-La 2 O 3 , allow us to study the sodium and lanthanum effect on the properties of the glass. During this work, a polarizable force field has been developed to do these simulations. The results obtained at room temperature let us reproduce the experimental results of the structure, the distribution of BIII/BIV and the density. a study has been done on the viscosity and electrical conductivity of the liquid. The distribution BIV/BIII and the influence of the structural changes on the density along with the temperature have also been observed with thermal quenching. The current limits of this approach are also described. (author) [fr

  17. Optimal water meter selection system | Johnson | Water SA

    African Journals Online (AJOL)

    Economic/financial analysis based on an income statement together with capital budgeting techniques assist with the determination of the financial suitability of investing in a new replacement water meter. This financial analysis includes various potential income and expenditure components that will result from the ...

  18. Design of Pumps for Water Hydraulic Systems

    DEFF Research Database (Denmark)

    Klit, Peder; Olsen, Stefan; Bech, Thomas Nørgaard

    1999-01-01

    This paper considers the development of two pumps for water hydraulic applications. The pumps are based on two different working principles: The Vane-type pump and the Gear-type pump. Emphasis is put on the considerations that should be made to account for water as the hydraulic fluid.......KEYWORDS: water, pump, design, vane, gear....

  19. Model predictive control on open water systems

    NARCIS (Netherlands)

    Van Overloop, P.J.

    2006-01-01

    Human life depends on water daily, especially for drinking and food production. Also, human life needs to be protected against excess of water caused by heavy precipitation and floods. People have formed water management organizations to guarantee these necessities of life for communities. These

  20. Effective oscillator strength distributions of spherically symmetric atoms for calculating polarizabilities and long-range atom–atom interactions

    International Nuclear Information System (INIS)

    Jiang, Jun; Mitroy, J.; Cheng, Yongjun; Bromley, M.W.J.

    2015-01-01

    Effective oscillator strength distributions are systematically generated and tabulated for the alkali atoms, the alkaline-earth atoms, the alkaline-earth ions, the rare gases and some miscellaneous atoms. These effective distributions are used to compute the dipole, quadrupole and octupole static polarizabilities, and are then applied to the calculation of the dynamic polarizabilities at imaginary frequencies. These polarizabilities can be used to determine the long-range C 6 , C 8 and C 10 atom–atom interactions for the dimers formed from any of these atoms and ions, and we present tables covering all of these combinations

  1. Effective oscillator strength distributions of spherically symmetric atoms for calculating polarizabilities and long-range atom–atom interactions

    Energy Technology Data Exchange (ETDEWEB)

    Jiang, Jun, E-mail: phyjiang@yeah.net [Key Laboratory of Atomic and Molecular Physics and Functional Materials of Gansu Province, College of Physics and Electronic Engineering, Northwest Normal University, Lanzhou 730070 (China); School of Engineering, Charles Darwin University, Darwin, Northern Territory, 0909 (Australia); Mitroy, J. [School of Engineering, Charles Darwin University, Darwin, Northern Territory, 0909 (Australia); Cheng, Yongjun, E-mail: cyj83mail@gmail.com [School of Engineering, Charles Darwin University, Darwin, Northern Territory, 0909 (Australia); Academy of Fundamental and Interdisciplinary Science, Harbin Institute of Technology, Harbin 150080 (China); Bromley, M.W.J., E-mail: brom@physics.uq.edu.au [School of Mathematics and Physics, The University of Queensland, Brisbane, Queensland 4075 (Australia)

    2015-01-15

    Effective oscillator strength distributions are systematically generated and tabulated for the alkali atoms, the alkaline-earth atoms, the alkaline-earth ions, the rare gases and some miscellaneous atoms. These effective distributions are used to compute the dipole, quadrupole and octupole static polarizabilities, and are then applied to the calculation of the dynamic polarizabilities at imaginary frequencies. These polarizabilities can be used to determine the long-range C{sub 6}, C{sub 8} and C{sub 10} atom–atom interactions for the dimers formed from any of these atoms and ions, and we present tables covering all of these combinations.

  2. Thermo-economic performance of inclined solar water distillation systems

    Directory of Open Access Journals (Sweden)

    Agboola Phillips O.

    2015-01-01

    Full Text Available This study investigates the thermo-economic performance of different configurations of inclined solar water desalination for parameters such as daily production, efficiency, system cost and distilled water production cost. The four different configurations considered for this study are as follows; 1. Inclined solar water distillation with bare absorber plate (IISWD with daily production of 5.46 kg/m2 day and daily efficiency of 48.3%. 2. Inclined solar water distillation with wick on absorber plate (IISWDW with daily production of 6.41kg/m2 day and daily efficiency 50.3%. 3. Inclined solar water distillation with wire mesh on absorber plate (IISWDWM with daily production n of 3.03 kg/m2 day and daily efficiency 32.6%. 4. Inclined solar water distillation with bare absorber plate (ISWD. (Control System with daily production of 3.25 kg/m2 day and daily efficiency of 40.1%. The systems potable water cost price ranges from 0.03 $/L for IISWDW to 0.06$/L for IISWDWM System. All the systems are economically and technically feasible as a solar distillation system for potable water in Northern Cyprus. The price of potable water from water vendors/hawkers ranges from 0.11-0.16 $/L. It is more economically viable to have the rooftop inclined solar water desalination system than procuring potable water from vendors.`

  3. Underground Water Distribution System, Fort Belvoir, Virginia. Leak Detection Survey

    National Research Council Canada - National Science Library

    1995-01-01

    .... The survey was conducted by myself, Donald Muir, Operations Coordinator, and required 12.25 working days. This was not a survey of the entire water distribution system but instead a survey of water mains 8 inch and larger...

  4. Water Information Management & Analysis System (WIMAS) v 4.0

    Data.gov (United States)

    Kansas Data Access and Support Center — The Water Information Management and Analysis System (WIMAS) is an ArcView based GIS application that allows users to query Kansas water right data maintained by the...

  5. Solar system for domestic hot water and space heating

    Energy Technology Data Exchange (ETDEWEB)

    Weiss, W. [Arbeitsgemeinschaf Erneubare Energie, Gleisdorf (Austria)

    1997-12-31

    The solar thermal markets, different types of solar systems for hot water and space heating, the dimensioning and the components of solar heating systems, the properties of the systems are reviewed in this presentation

  6. Drying of heavy water system and works of charging heavy water in Fugen

    International Nuclear Information System (INIS)

    Matsushita, Tadashi; Iijima, Setsuo

    1980-01-01

    The advanced thermal reactor ''Fugen'' is the first heavy water-moderated, boiling light water-cooled nuclear reactor for power generation in Japan. It is a large heavy water reactor having about 130 m 3 of heavy water inventory and about 300 m 3 of helium space as the cover gas of the heavy water system. The heavy water required was purchased from FRG, which had been used for the power output test in the KKN, and the quality was 99.82 mol % mean heavy water concentration. The concentration of heavy water for Fugen used for the nuclear design is 99.70 mol%, and it was investigated how heavy water can be charged without lowering the concentration. The matters of investigation include the method of bringing the heavy water and helium system to perfect dryness after washing and light water test, the method of confirming the sufficient dryness to prevent the deterioration, and the method of charging heavy water safely from its containers. On the basis of the results of investigation, the actual works were started. The works of drying the heavy water and helium system by vacuum drying, the works of sampling heavy water and the result of the degree of deterioration, and the works of charging heavy water and the measures to the heavy water remaing in the containers are described. All the works were completed safely and smoothly. (J.P.N.)

  7. The water energy nexus, an ISO50001 water case study and the need for a water value system

    Directory of Open Access Journals (Sweden)

    Brendan P. Walsh

    2015-06-01

    Full Text Available The world’s current utilisation of water, allied to the forecasted increase in our dependence on it, has led to the realisation that water as a resource needs to be managed. The scarcity and cost of water worldwide, along with water management practices within Europe, are highlighted in this paper. The heavy dependence of energy generation on water and the similar dependence of water treatment and distribution on energy, collectively termed the water–energy nexus, is detailed. A summary of the recently launched ISO14046 Water Footprint Standard along with other benchmarking measures is outlined and a case history of managing water using the Energy Management Standard ISO50001 is discussed in detail. From this, the requirement for a methodology for improvement of water management has been identified, involving a value system for water streams, which, once optimised will improve water management including efficiency and total utilisation.

  8. [Water-saving mechanisms of intercropping system in improving cropland water use efficiency].

    Science.gov (United States)

    Zhang, Feng-Yun; Wu, Pu-Te; Zhao, Xi-Ning; Cheng, Xue-Feng

    2012-05-01

    Based on the multi-disciplinary researches, and in terms of the transformation efficiency of surface water to soil water, availability of cropland soil water, crop canopy structure, total irrigation volume needed on a given area, and crop yield, this paper discussed the water-saving mechanisms of intercropping system in improving cropland water use efficiency. Intercropping system could promote the full use of cropland water by plant roots, increase the water storage in root zone, reduce the inter-row evaporation and control excessive transpiration, and create a special microclimate advantageous to the plant growth and development. In addition, intercropping system could optimize source-sink relationship, provide a sound foundation for intensively utilizing resources temporally and spatially, and increase the crop yield per unit area greatly without increase of water consumption, so as to promote the crop water use efficiency effectively.

  9. Ecology of Legionella pneumophila within water distribution systems.

    OpenAIRE

    Stout, J E; Yu, V L; Best, M G

    1985-01-01

    The reservoir for hospital-acquired Legionnaires disease has been shown to be the potable water distribution system. We investigated the influence of the natural microbial population and sediment (scale and organic particulates) found in water systems as growth-promoting factors for Legionella pneumophila. Our in vitro experiments showed that: (i) water from hot-water storage tank readily supported the survival of L. pneumophila, (ii) the concentration of sediment was directly related to the ...

  10. Apparatus, System, and Method for Forward Osmosis in Water Reuse

    KAUST Repository

    Yangali-Quintanilla, Victor

    2013-01-03

    An apparatus, system, and method for desalinating water is presented. The invention relates to recovery of water from impaired water sources by using FO and seawater as draw solution (DS). The seawater becomes diluted over time and can be easily desalinated at very low pressures. Thus, a device consumes less energy when recovering water. The apparatus, system and method comprise an immersed forward osmosis cell.

  11. A fuzzy recommendation system for daily water intake

    OpenAIRE

    Bin Dai; Rung-Ching Chen; Shun-Zhi Zhu; Chung-Yi Huang

    2016-01-01

    Water is one of the most important constituents of the human body. Daily consumption of water is thus necessary to protect human health. Daily water consumption is related to several factors such as age, ambient temperature, and degree of physical activity. These factors are generally difficult to express with exact numerical values. The main objective of this article is to build a daily water intake recommendation system using fuzzy methods. This system will use age, physical activity, and a...

  12. Water Resource Assessment of Geothermal Resources and Water Use in Geopressured Geothermal Systems

    Energy Technology Data Exchange (ETDEWEB)

    Clark, C. E. [Argonne National Lab. (ANL), Argonne, IL (United States); Harto, C. B. [Argonne National Lab. (ANL), Argonne, IL (United States); Troppe, W. A. [Argonne National Lab. (ANL), Argonne, IL (United States)

    2011-09-01

    This technical report from Argonne National Laboratory presents an assessment of fresh water demand for future growth in utility-scale geothermal power generation and an analysis of fresh water use in low-temperature geopressured geothermal power generation systems.

  13. Full Scale Drinking Water System Decontamination at the Water Security Test Bed

    Data.gov (United States)

    U.S. Environmental Protection Agency — The EPA’s Water Security Test Bed (WSTB) facility is a full-scale representation of a drinking water distribution system. In collaboration with the Idaho National...

  14. Report on decontamination of the heavy water system - Annex 11

    International Nuclear Information System (INIS)

    1963-01-01

    After dying, the air was introduced into the heavy water system including both heat exchangers. The whole system excluding the pump 'Avala' was filled with 7% acid solution. After 3 days, this solution was removed and the system was filled with 1% solution which remained in the system for 6 hours. The analysis of decontamination effects showed that the whole procedure should be repeated. Parts of the taken apart pump were decontaminated. Washing of the heavy water system was done by cold, then by warm water and finally by distilled water. The pH value was permanently controlled. The achieved decontamination results are shown in a separate report [sr

  15. Shower Water Reuse System-Expanded Operations to Laundry Water

    Science.gov (United States)

    2014-09-01

    methylmethanamine 42751-79-1 5-35 ppm 300 µL/L Coagulation and flocculation agent Ferric sulfate (>9.5%) 10028-22-5 Magnasol 4000 Aluminum chlorhydrate...items developed. Residues of chemicals of military interest that cost the U.S. Army billions of dollars and were part of mission essential activities...environmental health effects of SWRS expansion for laundry water recycling, specifically evaluating the safety of the system’s flocculating or coagulation

  16. Economic optimization of photovoltaic water pumping systems for irrigation

    International Nuclear Information System (INIS)

    Campana, P.E.; Li, H.; Zhang, J.; Zhang, R.; Liu, J.; Yan, J.

    2015-01-01

    Highlights: • A novel optimization procedure for photovoltaic water pumping systems for irrigation is proposed. • An hourly simulation model is the basis of the optimization procedure. • The effectiveness of the new optimization approach has been tested to an existing photovoltaic water pumping system. - Abstract: Photovoltaic water pumping technology is considered as a sustainable and economical solution to provide water for irrigation, which can halt grassland degradation and promote farmland conservation in China. The appropriate design and operation significantly depend on the available solar irradiation, crop water demand, water resources and the corresponding benefit from the crop sale. In this work, a novel optimization procedure is proposed, which takes into consideration not only the availability of groundwater resources and the effect of water supply on crop yield, but also the investment cost of photovoltaic water pumping system and the revenue from crop sale. A simulation model, which combines the dynamics of photovoltaic water pumping system, groundwater level, water supply, crop water demand and crop yield, is employed during the optimization. To prove the effectiveness of the new optimization approach, it has been applied to an existing photovoltaic water pumping system. Results show that the optimal configuration can guarantee continuous operations and lead to a substantial reduction of photovoltaic array size and consequently of the investment capital cost and the payback period. Sensitivity studies have been conducted to investigate the impacts of the prices of photovoltaic modules and forage on the optimization. Results show that the water resource is a determinant factor

  17. Water System Architectures for Moon and Mars Bases

    Science.gov (United States)

    Jones, Harry W.; Hodgson, Edward W.; Kliss, Mark H.

    2015-01-01

    Water systems for human bases on the moon and Mars will recycle multiple sources of wastewater. Systems for both the moon and Mars will also store water to support and backup the recycling system. Most water system requirements, such as number of crew, quantity and quality of water supply, presence of gravity, and surface mission duration of 6 or 18 months, will be similar for the moon and Mars. If the water system fails, a crew on the moon can quickly receive spare parts and supplies or return to Earth, but a crew on Mars cannot. A recycling system on the moon can have a reasonable reliability goal, such as only one unrecoverable failure every five years, if there is enough stored water to allow time for attempted repairs and for the crew to return if repair fails. The water system that has been developed and successfully operated on the International Space Station (ISS) could be used on a moon base. To achieve the same high level of crew safety on Mars without an escape option, either the recycling system must have much higher reliability or enough water must be stored to allow the crew to survive the full duration of the Mars surface mission. A three loop water system architecture that separately recycles condensate, wash water, and urine and flush can improve reliability and reduce cost for a Mars base.

  18. Microbial composition of purified waters and implications for regrowth control in municipal water systems

    OpenAIRE

    Proctor, Caitlin R.; Edwards, Marc A.; Pruden, Amy

    2015-01-01

    The limits of water treatment to control microbial regrowth were examined using highly purified waters. Measurable microbial genetic material was detected in the product water in a survey of thirteen laboratory pure water systems. Illumina 16S rRNA gene amplicon sequencing revealed surprisingly diverse microbial assemblages, confirmed to be active in bioassays, with no direct relationship to quality or maintenance of the systems. With storage under both light and dark conditions, a 2-log incr...

  19. Development and validation of a drinking water temperature model in domestic drinking water supply systems

    OpenAIRE

    Zlatanovic, Ljiljana; Moerman, Andreas; Hoek, van der, Jan Peter; Vreeburg, Jan; Blokker, Mirjam

    2017-01-01

    Domestic drinking water supply systems (DDWSs) are the final step in the delivery of drinking water to consumers. Temperature is one of the rate-controlling parameters for many chemical and microbiological processes and is, therefore, considered as a surrogate parameter for water quality processes. In this study, a mathematical model is presented that predicts temperature dynamics of the drinking water in DDWSs. A full-scale DDWS resembling a conventional system was built and run according to...

  20. Foulant Characteristics Comparison in Recycling Cooling Water System Makeup by Municipal Reclaimed Water and Surface Water in Power Plant

    Science.gov (United States)

    Ping, Xu; Jing, Wang; Yajun, Zhang; Jie, Wang; Shuai, Si

    2015-01-01

    Due to water shortage, municipal reclaimed water rather than surface water was replenished into recycling cooling water system in power plants in some cities in China. In order to understand the effects of the measure on carbon steel corrosion, characteristics of two kinds of foulant produced in different systems were studied in the paper. Differences between municipal reclaimed water and surface water were analyzed firstly. Then, the weight and the morphology of two kinds of foulant were compared. Moreover, other characteristics including the total number of bacteria, sulfate reducing bacteria, iron bacteria, extracellular polymeric substance (EPS), protein (PN), and polysaccharide (PS) in foulant were analyzed. Based on results, it could be concluded that microbial and corrosive risk would be increased when the system replenished by municipal reclaimed water instead of surface water. PMID:25893132

  1. Foulant Characteristics Comparison in Recycling Cooling Water System Makeup by Municipal Reclaimed Water and Surface Water in Power Plant

    Directory of Open Access Journals (Sweden)

    Xu Ping

    2015-01-01

    Full Text Available Due to water shortage, municipal reclaimed water rather than surface water was replenished into recycling cooling water system in power plants in some cities in China. In order to understand the effects of the measure on carbon steel corrosion, characteristics of two kinds of foulant produced in different systems were studied in the paper. Differences between municipal reclaimed water and surface water were analyzed firstly. Then, the weight and the morphology of two kinds of foulant were compared. Moreover, other characteristics including the total number of bacteria, sulfate reducing bacteria, iron bacteria, extracellular polymeric substance (EPS, protein (PN, and polysaccharide (PS in foulant were analyzed. Based on results, it could be concluded that microbial and corrosive risk would be increased when the system replenished by municipal reclaimed water instead of surface water.

  2. Integrating Product Water Quality Effects In Holistic Assessments Of Water Systems

    DEFF Research Database (Denmark)

    Rygaard, Martin

    2011-01-01

    While integrated assessments of sustainability of water systems are largely focused on quantity issues, chemical use, and energy consumption, effects of the supplied water quality are often overlooked. Drinking water quality affects corrosion rates, human health, applicability of water...... and aesthetics. Even small changes in the chemical composition of water may accumulate large impacts on city scale. Here, a method for integrated assessment of water quality is presented. Based on dose-response relationships a range of effects from different drinking water qualities is merged into a holistic...... economic assessment of water quality effects, production costs and environmental costs (water abstraction and CO2-emissions). Considered water quality issues include: health (dental caries, cardiovascular diseases, eczema), corrosion (lifetime of appliances, pipes), consumption of soap, and bottled water...

  3. A fuzzy recommendation system for daily water intake

    Directory of Open Access Journals (Sweden)

    Bin Dai

    2016-05-01

    Full Text Available Water is one of the most important constituents of the human body. Daily consumption of water is thus necessary to protect human health. Daily water consumption is related to several factors such as age, ambient temperature, and degree of physical activity. These factors are generally difficult to express with exact numerical values. The main objective of this article is to build a daily water intake recommendation system using fuzzy methods. This system will use age, physical activity, and ambient temperature as the input factors and daily water intake values as the output factor. The reasoning mechanism of the fuzzy system can calculate the recommended value of daily water intake. Finally, the system will compare the actual recommended values with our system to determine the usefulness. The experimental results show that this recommendation system is effective in actual application.

  4. Pretreatment Solution for Water Recovery Systems

    Science.gov (United States)

    Muirhead, Dean (Inventor)

    2018-01-01

    Chemical pretreatments are used to produce usable water by treating a water source with a chemical pretreatment that contains a hexavalent chromium and an acid to generate a treated water source, wherein the concentration of sulfate compounds in the acid is negligible, and wherein the treated water source remains substantially free of precipitates after the addition of the chemical pretreatment. Other methods include reducing the pH in urine to be distilled for potable water extraction by pretreating the urine before distillation with a pretreatment solution comprising one or more acid sources selected from a group consisting of phosphoric acid, hydrochloric acid, and nitric acid, wherein the urine remains substantially precipitate free after the addition of the pretreatment solution. Another method described comprises a process for reducing precipitation in urine to be processed for water extraction by mixing the urine with a pretreatment solution comprising hexavalent chromium compound and phosphoric acid.

  5. Performance of solar photovoltaic array fed water pumping system ...

    African Journals Online (AJOL)

    DR OKE

    This paper discusses the design and performance analysis of a solar photovoltaic (SPV) array fed water pumping system utilizing a special class of highly rugged machine with simple drive system called switched reluctance motor (SRM) drive. The proposed method of water pumping system also provides the cost effective ...

  6. Smart Water Conservation System for Irrigated Landscape

    Science.gov (United States)

    2016-05-01

    southwestern U.S., requiring states, particularly California , to establish mandates for reductions in water usage . On April 1, 2015, Governor Brown...and mostly dry summer season) in southern California , it is not a cost effective method to reduce potable water usage for landscape irrigation...mean time between failures MTTF mean time to failure MWDSC Metropolitan Water District of Southern California NAVFAC EXWC Naval Facilities

  7. Historical Calibration of a Water Account System

    OpenAIRE

    Timothy M Baynes; Graham M Turner; James West

    2009-01-01

    Models that are used for future based scenarios should be calibrated with historical water supply and use data. Historical water records in Australia are discontinuous, incomplete and often incongruently disaggregated. We present a systematic method to produce a coherent reconstruction of the historical provision and consumption of water in Victorian catchments. This is demonstrated using WAS: an accounting and simulation tool that tracks the stocks and flows of physical quantities relating t...

  8. Plant experience with temporary reverse osmosis makeup water systems

    International Nuclear Information System (INIS)

    Polidoroff, C.

    1986-01-01

    Pacific Gas and Electric (PG and E) Company's Diablo Canyon Power Plant (DCPP), which is located on California's central coast, has access to three sources of raw water: creek water, well water, and seawater. Creek and well water are DCPP's primary sources of raw water; however, because their supply is limited, these sources are supplemented with seawater. The purpose of this paper is to discuss the temporary, rental, reverse osmosis systems used by PG and E to process DCPP's raw water into water suitable for plant makeup. This paper addresses the following issues: the selection of reverse osmosis over alternative water processing technologies; the decision to use vendor-operated temporary, rental, reverse osmosis equipment versus permanent PG and E-owned and -operated equipment; the performance of DCPP's rental reverse osmosis systems; and, the lessons learned from DCPP's reverse osmosis system rental experience that might be useful to other plants considering renting similar equipment

  9. Water Quality in Selected Small Drinking Water Systems of Missouri Rural Communities

    Directory of Open Access Journals (Sweden)

    Bin Hua

    2016-04-01

    Full Text Available Small drinking water treatment systems (serving <10,000 population in rural communities frequently encounter multiple challenges in water quality and federal regulatory compliance, especially the disinfection byproduct (DBP regulations, due to source water variations, limited resources, and aging infrastructures. Unlike most studies on the DBP control using synthetic water in laboratory settings, this research aimed to identify the major water quality issues confronting small systems in the state of Missouri (MO, the United States of America (USA. Three small systems were selected based on source water and geographic locations. Water samples were collected quarterly from each major treatment process during the period of May 2012 to March 2013 and analyzed to identify the treatment effectiveness and potential water quality issues in each small system. Results of water quality characterization showed that the major water quality issue in the selected small systems was the low efficiency of dissolved organic carbon (DOC removal, especially the DOC species that are considered as the DBP precursors. Most collected water samples had a higher trihalomethane formation potential (THMFP than the United States Environmental Protection Agency (USEPA maximum contaminant limit (MCL (80 μg/L. Based on the analysis of the treatment efficiency in each system, several strategies for water quality improvement were recommended, and a few of which have been implemented in the small systems, leading to improved drinking water quality and compliance with the USEPA DBP regulations. This study would provide a valuable aid to small system operators and local water authority in context of water quality improvement and the regulatory compliance.

  10. Water Resources System Archetypes: Towards a Holistic Understanding of Persistent Water Resources Problems

    Science.gov (United States)

    Mirchi, A.; Watkins, D. W.; Madani, K.

    2011-12-01

    Water resources modeling, a well-established tool in water resources planning and management practice, facilitates understanding of the physical and socio-economic processes impacting the wellbeing of humans and ecosystems. While watershed models continue to become more holistic, there is a need for appropriate frameworks and tools for integrated conceptualization of problems to provide reliable qualitative and quantitative bases for policy selection. In recent decades, water resources professionals have become increasingly cognizant of important feedback relationships within water resources systems. We contend that a systems thinking paradigm is required to facilitate characterization of the closed-loop nature of these feedbacks. Furthermore, a close look at different water resources issues reveals that, while many water resources problems are essentially very similar in nature, they continuously appear in different geographical locations. In the systems thinking literature, a number of generic system structures known as system archetypes have been identified to describe common patterns of problematic behavior within systems. In this research, we identify some main system archetypes governing water resources systems, demonstrating their benefits for holistic understanding of various classes of persistent water resources problems. Using the eutrophication problem of Lake Allegan, Michigan, as a case study, we illustrate how the diagnostic tools of system dynamics modeling can facilitate identification of problematic feedbacks within water resources systems and provide insights for sustainable development.

  11. Unit process engineering for water quality control and biosecurity in marine water recirculating systems

    Science.gov (United States)

    High-intensity systems that treat and recirculate water must maintain a culture environment that can sustain near optimum fish health and growth at the design carrying capacity. Water recirculating systems that use centralized treatment systems can benefit from the economies of scale to decrease th...

  12. An Integrated Framework for Assessment of Hybrid Water Supply Systems

    Directory of Open Access Journals (Sweden)

    Mukta Sapkota

    2015-12-01

    Full Text Available Urban water managers around the world are adopting decentralized water supply systems, often in combination with centralized systems. While increasing demand for water arising from population growth is one of the primary reasons for this increased adoption of alternative technologies, factors such as climate change, increased frequency of extreme weather events and rapid urbanization also contribute to an increased rate of adoption of these technologies. This combination of centralized-decentralized water systems approach is referred to as “hybrid water supply systems” and is based on the premise that the provision of alternative water sources at local scales can both extend the capacity of existing centralized water supply infrastructures, and improve resilience to variable climatic conditions. It is important to understand, however, that decentralized water production and reuse may change the flow and composition of wastewater and stormwater, thereby potentially also having negative impacts on its effectiveness and performance. This paper describes a framework to assess the interactions between decentralized water supply systems and existing centralized water servicing approaches using several analytical tools, including water balance modelling, contaminant balance modelling and multi-criteria decision analysis. The framework enables the evaluation of impacts due to change in quantity and quality of wastewater and stormwater on the existing centralized system arising from the implementation of hybrid water supply systems. The framework consists of two parts: (1 Physical system analysis for various potential scenarios and (2 Ranking of Scenarios. This paper includes the demonstration of the first part of the framework for an area of Melbourne, Australia by comparing centralized water supply scenario with a combination of centralized water supply and reuse of treated waste water supply scenario.

  13. MDVRY: a polarizable classical molecular dynamics package for biomolecules

    Science.gov (United States)

    Souaille, M.; Loirat, H.; Borgis, D.; Gaigeot, M. P.

    2009-02-01

    The MDVRY classical molecular dynamics package is presented for the study of biomolecules in the gas and liquid phase. Electrostatic polarization has been implemented in the formalism of point induced dipoles following the model of Thole. Two schemes have been implemented for the calculation of induced dipoles, i.e. resolution of the self-consistent equations and a 'Car-Parrinello' dynamical approach. In this latter, the induced dipoles are calculated at each time step of the dynamics through the dynamics of additional degrees of freedom associated with the dipoles. This method saves computer time and allows to study polarized solvated proteins at a very low CPU cost. The program is written in C-language and runs on LINUX machines. A detailed manual of the code is given. The main features of the package are illustrated taking on examples of proteins in the gas phase or immersed in liquid water. Program summaryProgram title: MDVRY Catalogue identifier: AEBY_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEBY_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 39 156 No. of bytes in distributed program, including test data, etc.: 277 197 Distribution format: tar.bz2 Programming language: C Computer: Linux machines with FFTW Fourier Transform package installed Operating system: Linux machines, SUSE & RedHat distributions Classification: 3, 16.13, 23 External routines: FFTW ( http://www.fftw.org/) Nature of problem: Molecular Dynamics Software package. Solution method: Velocity Verlet algorithm. The implemented force field is composed of intra-molecular interactions and inter-molecular interactions (electrostatics, polarization, van der Waals). Polarization is accounted through induced point dipoles at each atomic site. Supplementary degrees of freedom are

  14. Visible Light Activated Photocatalytic Water Polishing System, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — This proposal targets development of a LED light activated photocatalytic water polishing system that enables reduction of organic impurities (TOC and...

  15. Systems and Methods for Automated Water Detection Using Visible Sensors

    Science.gov (United States)

    Rankin, Arturo L. (Inventor); Matthies, Larry H. (Inventor); Bellutta, Paolo (Inventor)

    2016-01-01

    Systems and methods are disclosed that include automated machine vision that can utilize images of scenes captured by a 3D imaging system configured to image light within the visible light spectrum to detect water. One embodiment includes autonomously detecting water bodies within a scene including capturing at least one 3D image of a scene using a sensor system configured to detect visible light and to measure distance from points within the scene to the sensor system, and detecting water within the scene using a processor configured to detect regions within each of the at least one 3D images that possess at least one characteristic indicative of the presence of water.

  16. Drinking water distribution systems: assessing and reducing risks

    National Research Council Canada - National Science Library

    National Research Council (U.S.). Water Science and Technology Board; National Research Council (U.S.). Committe on Public Water Supply Distribution Systems: Assessing and Reducing Risks

    2006-01-01

    .... Distribution systems -- consisting of pipes, pumps, valves, storage tanks, reservoirs, meters, fittings, and other hydraulic appurtenances -- carry drinking water from a centralized treatment plant...

  17. A transportable system for radioactivity contaminated water treatment

    International Nuclear Information System (INIS)

    2013-01-01

    Contaminated water treatment system called SARRY for retrieval and recovery of water in operation at the site of Fukushima Daiichi Nuclear Power Plant since August 2011 has been modified by compacting the system size to develop a mobile system SARRY-Aqua that can process Cs-contaminated water (one ton/hour) to the level of 10 Bq/kg. Installing the system in a small container with dimensions conforming to the international standards facilitates transportation by truck and enables the contaminated water treatment occurring in a variety of locations. (S. Ohno)

  18. Developing Fluorescence Sensor Systems for Early Detection of Nitrification Events in Chloraminated Drinking Water Distribution Systems

    Science.gov (United States)

    Detection of nitrification events in chloraminated drinking water distribution systems remains an ongoing challenge for many drinking water utilities, including Dallas Water Utilities (DWU) and the City of Houston (CoH). Each year, these utilities experience nitrification events ...

  19. Privatisation of water systems: Crime against humanity

    Directory of Open Access Journals (Sweden)

    Titus R. Mobie

    2009-11-01

    Full Text Available This article emphasises the importance of water resources, which are vital to the sustenance of life. Water is essential for various reasons: for drinking, for personal hygiene, for cooking, for watering crops, for cleaning our homes etc. One can therefore conclude that, without this vital resource, there is no life. It is for this reason that God, giver of life, gave water as a gift – free – both to humanity and to the rest of creation, so that we may all achieve fullness of life. This article challenges the fact that, because of the insistence of the World Bank and the International Monetary Fund on the privatisation of water supplies where the poorest of the poor are unable to pay, these people are cut off from water supplies and are deprived of the right to the fullness of life. The author emphasises that there is no life without water, that water resources are a gift from the creator and should therefore be made accessible to all, rich and poor alike.

  20. Design of Pumps for Water Hydraulic Systems

    DEFF Research Database (Denmark)

    Klit, Peder; Olsen, Stefan; Bech, Thomas Nørgaard

    1999-01-01

    This paper considers the development of two pumps for water hydraulic applications. The pumps are based on two different working principles: The Vane-type pump and the Gear-type pump. Emphasis is put on the considerations that should be made to account for water as the hydraulic fluid...

  1. Integrated Solution Support System for Water Management

    NARCIS (Netherlands)

    Kassahun, A.; Blind, M.; Krause, A.U.M.; Roosenschoon, O.R.

    2008-01-01

    Solving water management problems involves technical, social, economic, political and legal challenges and thus requires an integrated approach involving people from different backgrounds and roles. The integrated approach has been given a prominent role within the European Union¿s Water Framework

  2. Innovated feed water distributing system of VVER steam generators

    International Nuclear Information System (INIS)

    Matal, O.; Sousek, P.; Simo, T.; Lehota, M.; Lipka, J.; Slugen, V.

    2000-01-01

    Defects in feed water distributing system due to corrosion-erosion effects have been observed at many VVER 440 steam generators (SG). Therefore analysis of defects origin and consequently design development and testing of a new feed water distributing system were performed. System tests in-situ supported by calculations and comparison of measured and calculated data were focused on demonstration of long term reliable operation, definition of water flow and water chemical characteristics at the SG secondary side and their measurements and study of dynamic characteristics needed for the innovated feed water distributing system seismic features approval. The innovated feed water distributing system was installed in the SGs of two VVER units already. (author)

  3. Integrated management of water resources in urban water system: Water Sensitive Urban Development as a strategic approach

    Directory of Open Access Journals (Sweden)

    Juan Joaquín Suárez López

    2014-08-01

    Full Text Available The urban environment has to be concerned with the integrated water resources management, which necessarily includes the concept of basin unity and governance.  The traditional urban water cycle framework, which includes water supply, sewerage and wastewater treatment services, is being replaced by a holistic and systemic concept, where water is associated with urbanism and sustainability policies. This global point of view cannot be ignored as new regulations demand systemic and environmental approaches to the administrations, for instance, in the management of urban drainage and sewerage systems. The practical expression of this whole cluster interactions is beginning to take shape in several countries, with the definition of Low Impact Development and Water Sensitivity Urban Design concepts. Intends to integrate this new strategic approach under the name: “Water Sensitive Urban Development” (WSUD. With WSUD approach, the current urban water systems (originally conceived under the traditional concept of urban water cycle can be transformed, conceptual and physically, for an integrated management of the urban water system in new models of sustainable urban development. A WSUD implementing new approach to the management of pollution associated with stormwater in the urban water system is also presented, including advances in environmental regulations and incorporation of several techniques in Spain.

  4. Seismic Fragility of the LANL Fire Water Distribution System

    Energy Technology Data Exchange (ETDEWEB)

    Greg Mertz

    2007-03-30

    The purpose of this report is to present the results of a site-wide system fragility assessment. This assessment focuses solely on the performance of the water distribution systems that supply Chemical and Metallurgy Research (CMR), Weapons Engineering and Tritium Facility (WETF), Radioactive Liquid Waste Treatment Facility (RLWTF), Waste Characterization, Reduction, Repackaging Facility (WCRRF), and Transuranic Waste Inspectable Storage Project (TWISP). The analysis methodology is based on the American Lifelines Alliance seismic fragility formulations for water systems. System fragilities are convolved with the 1995 LANL seismic hazards to develop failure frequencies. Acceptance is determined by comparing the failure frequencies to the DOE-1020 Performance Goals. This study concludes that: (1) If a significant number of existing isolation valves in the water distribution system are closed to dedicate the entire water system to fighting fires in specific nuclear facilities; (2) Then, the water distribution systems for WETF, RLWTF, WCRRF, and TWISP meet the PC-2 performance goal and the water distribution system for CMR is capable of surviving a 0.06g earthquake. A parametric study of the WETF water distribution system demonstrates that: (1) If a significant number of valves in the water distribution system are NOT closed to dedicate the entire water system to fighting fires in WETF; (2) Then, the water distribution system for WETF has an annual probability of failure on the order of 4 x 10{sup -3} that does not meet the PC-2 performance goal. Similar conclusions are expected for CMR, RLWTF, WCRRF, and TWISP. It is important to note that some of the assumptions made in deriving the results should be verified by personnel in the safety-basis office and may need to be incorporated in technical surveillance requirements in the existing authorization basis documentation if credit for availability of fire protection water is taken at the PC-2 level earthquake levels

  5. Seismic Fragility of the LANL Fire Water Distribution System

    International Nuclear Information System (INIS)

    Greg Mertz Jason Cardon Mike Salmon

    2007-01-01

    The purpose of this report is to present the results of a site-wide system fragility assessment. This assessment focuses solely on the performance of the water distribution systems that supply Chemical and Metallurgy Research (CMR), Weapons Engineering and Tritium Facility (WETF), Radioactive Liquid Waste Treatment Facility (RLWTF), Waste Characterization, Reduction, Repackaging Facility (WCRRF), and Transuranic Waste Inspectable Storage Project (TWISP). The analysis methodology is based on the American Lifelines Alliance seismic fragility formulations for water systems. System fragilities are convolved with the 1995 LANL seismic hazards to develop failure frequencies. Acceptance is determined by comparing the failure frequencies to the DOE-1020 Performance Goals. This study concludes that: (1) If a significant number of existing isolation valves in the water distribution system are closed to dedicate the entire water system to fighting fires in specific nuclear facilities; (2) Then, the water distribution systems for WETF, RLWTF, WCRRF, and TWISP meet the PC-2 performance goal and the water distribution system for CMR is capable of surviving a 0.06g earthquake. A parametric study of the WETF water distribution system demonstrates that: (1) If a significant number of valves in the water distribution system are NOT closed to dedicate the entire water system to fighting fires in WETF; (2) Then, the water distribution system for WETF has an annual probability of failure on the order of 4 x 10 -3 that does not meet the PC-2 performance goal. Similar conclusions are expected for CMR, RLWTF, WCRRF, and TWISP. It is important to note that some of the assumptions made in deriving the results should be verified by personnel in the safety-basis office and may need to be incorporated in technical surveillance requirements in the existing authorization basis documentation if credit for availability of fire protection water is taken at the PC-2 level earthquake levels

  6. 21 CFR 876.5665 - Water purification system for hemodialysis.

    Science.gov (United States)

    2010-04-01

    ... dialysate. This generic type of device may include a water softener, sediment filter, carbon filter, and... 21 Food and Drugs 8 2010-04-01 2010-04-01 false Water purification system for hemodialysis. 876... SERVICES (CONTINUED) MEDICAL DEVICES GASTROENTEROLOGY-UROLOGY DEVICES Therapeutic Devices § 876.5665 Water...

  7. Joint optimization of regional water-power systems

    DEFF Research Database (Denmark)

    Cardenal, Silvio Javier Pereira; Mo, Birger; Gjelsvik, Anders

    2016-01-01

    Energy and water resources systems are tightly coupled; energy is needed to deliver water and water is needed to extract or produce energy. Growing pressure on these resources has raised concerns about their long-term management and highlights the need to develop integrated solutions. A method fo...

  8. Exploring the Dipole Polarizability of $^{11}$Li at REX-ISOLDE

    CERN Multimedia

    2002-01-01

    Dipole polarizability refers to the effect of the excitation to negative parity states through the electric dipole interaction. In nuclear physics dipole polarizability has not yet played a major role. For nuclei close to the drip lines where the separation energies of neutrons (or protons) are small, a substantial part of the dipole strength function occurs at low excitation energies. We here propose to investigate this effect by measuring elastic scattering at energies close to the Coulomb barrier. REX-ISOLDE together with the new improved yields of $^{11}$Li provides the ideal setting for this experiment. We ask for a total of 24 shifts with proton beam plus 3 shifts of stable beam from a Ta-foil target.

  9. A polarizable embedding DFT study of one-photon absorption in fluorescent proteins

    DEFF Research Database (Denmark)

    Beerepoot, Maarten; Steindal, Arnfinn H.; Kongsted, Jacob

    2013-01-01

    A theoretical study of the one-photon absorption of five fluorescent proteins (FPs) is presented. The absorption properties are calculated using a polarizable embedding approach combined with density functional theory (PE-DFT) on the wild-type green fluorescent protein (wtGFP) and several of its...... shift from vacuum to protein. This is the first computational study of a range of fluorescent proteins using a polarizable embedding potential....... optimization of the chromophores within a frozen protein environment is needed in order to reproduce the experimental trends. Explicit account of polarization in the force field is not needed to yield the correct trend between the different FPs, but is necessary for reproducing the experimentally observed red...

  10. Induced-Charge Enhancement of the Diffusion Potential in Membranes with Polarizable Nanopores.

    Science.gov (United States)

    Ryzhkov, I I; Lebedev, D V; Solodovnichenko, V S; Shiverskiy, A V; Simunin, M M

    2017-12-01

    When a charged membrane separates two salt solutions of different concentrations, a potential difference appears due to interfacial Donnan equilibrium and the diffusion junction. Here, we report a new mechanism for the generation of a membrane potential in polarizable conductive membranes via an induced surface charge. It results from an electric field generated by the diffusion of ions with different mobilities. For uncharged membranes, this effect strongly enhances the diffusion potential and makes it highly sensitive to the ion mobilities ratio, electrolyte concentration, and pore size. Theoretical predictions on the basis of the space-charge model extended to polarizable nanopores fully agree with experimental measurements in KCl and NaCl aqueous solutions.

  11. Isotensor Axial Polarizability and Lattice QCD Input for Nuclear Double-β Decay Phenomenology

    Science.gov (United States)

    Shanahan, Phiala E.; Tiburzi, Brian C.; Wagman, Michael L.; Winter, Frank; Chang, Emmanuel; Davoudi, Zohreh; Detmold, William; Orginos, Kostas; Savage, Martin J.; Nplqcd Collaboration

    2017-08-01

    The potential importance of short-distance nuclear effects in double-β decay is assessed using a lattice QCD calculation of the n n →p p transition and effective field theory methods. At the unphysical quark masses used in the numerical computation, these effects, encoded in the isotensor axial polarizability, are found to be of similar magnitude to the nuclear modification of the single axial current, which phenomenologically is the quenching of the axial charge used in nuclear many-body calculations. This finding suggests that nuclear models for neutrinoful and neutrinoless double-β decays should incorporate this previously neglected contribution if they are to provide reliable guidance for next-generation neutrinoless double-β decay searches. The prospects of constraining the isotensor axial polarizabilities of nuclei using lattice QCD input into nuclear many-body calculations are discussed.

  12. Polarizability of Kr6+ from high-L Kr5+ fine-structure measurements

    International Nuclear Information System (INIS)

    Lundeen, S. R.; Fehrenbach, C. W.

    2007-01-01

    The transition between n=55 and n=109 Rydberg levels of Kr 5+ has been studied at high resolution using the resonant excitation stark ionization spectroscopy method. Resolved excitation of L=6, 7, 8, and 9 levels in n=55 lead to a determination of the fine-structure energies of these levels. Interpreted with the long-range polarization model, this leads to a measurement of the dipole polarizabilities of Zn-like Kr 6+ , α d =2.69(4)a 0 3 . Obtaining a value of the quadrupole polarizability from the data will require additional theoretical input. Factors contributing to the signal and noise levels in measurements of this type are discussed

  13. The Challenge of Providing Safe Water with an Intermittently Supplied Piped Water Distribution System

    Science.gov (United States)

    Kumpel, E.; Nelson, K. L.

    2012-12-01

    An increasing number of urban residents in low- and middle-income countries have access to piped water; however, this water is often not available continuously. 84% of reporting utilities in low-income countries provide piped water for fewer than 24 hours per day (van den Berg and Danilenko, 2010), while no major city in India has continuous piped water supply. Intermittent water supply leaves pipes vulnerable to contamination and forces households to store water or rely on alternative unsafe sources, posing a health threat to consumers. In these systems, pipes are empty for long periods of time and experience low or negative pressure even when water is being supplied, leaving them susceptible to intrusion from sewage, soil, or groundwater. Households with a non-continuous supply must collect and store water, presenting more opportunities for recontamination. Upgrading to a continuous water supply, while an obvious solution to these challenges, is currently out of reach for many resource-constrained utilities. Despite its widespread prevalence, there are few data on the mechanisms causing contamination in an intermittent supply and the frequency with which it occurs. Understanding the impact of intermittent operation on water quality can lead to strategies to improve access to safe piped water for the millions of people currently served by these systems. We collected over 100 hours of continuous measurements of pressure and physico-chemical water quality indicators and tested over 1,000 grab samples for indicator bacteria over 14 months throughout the distribution system in Hubli-Dharwad, India. This data set is used to explore and explain the mechanisms influencing water quality when piped water is provided for a few hours every 3-5 days. These data indicate that contamination occurs along the distribution system as water travels from the treatment plant to reservoirs and through intermittently supplied pipes to household storage containers, while real

  14. System for harvesting water wave energy

    Science.gov (United States)

    Wang, Zhong Lin; Su, Yanjie; Zhu, Guang; Chen, Jun

    2016-07-19

    A generator for harvesting energy from water in motion includes a sheet of a hydrophobic material, having a first side and an opposite second side, that is triboelectrically more negative than water. A first electrode sheet is disposed on the second side of the sheet of a hydrophobic material. A second electrode sheet is disposed on the second side of the sheet of a hydrophobic material and is spaced apart from the first electrode sheet. Movement of the water across the first side induces an electrical potential imbalance between the first electrode sheet and the second electrode sheet.

  15. Systems Analyze Water Quality in Real Time

    Science.gov (United States)

    2010-01-01

    A water analyzer developed under Small Business Innovation Research (SBIR) contracts with Kennedy Space Center now monitors treatment processes at water and wastewater facilities around the world. Originally designed to provide real-time detection of nutrient levels in hydroponic solutions for growing plants in space, the ChemScan analyzer, produced by ASA Analytics Inc., of Waukesha, Wisconsin, utilizes spectrometry and chemometric algorithms to automatically analyze multiple parameters in the water treatment process with little need for maintenance, calibration, or operator intervention. The company has experienced a compound annual growth rate of 40 percent over its 15-year history as a direct result of the technology's success.

  16. Virtual Water Scarcity Risk to the Global Trade System.

    Science.gov (United States)

    Qu, Shen; Liang, Sai; Konar, Megan; Zhu, Zeqi; Chiu, Anthony S F; Jia, Xiaoping; Xu, Ming

    2018-01-16

    Local water scarcity risk (LWSR, meaning potential economic output losses in water-using sectors due to physical water scarcity) can be transmitted to downstream economies through the globalized supply chains. To understand the vulnerability of the global economy to water scarcity, we examine the impacts of local water scarcity risk on the global trade system from 1995 to 2009. We observe increasingly intensified geographical separation between physical water scarcity and production losses due to water scarcity. We identify top nation-sectors in virtual water scarcity risk (VWSR) exports (indicating local water scarcity risk in each nation transmitted to foreign nations through its exports), including agriculture and utilities in major economies such as China, India, Spain, France, and Turkey. These nation-sectors are critical to the resilience of the global economy to water scarcity. We also identify top nation-sectors in virtual water scarcity risk imports (indicating each nation's vulnerability to foreign water scarcity risk through the global trade system), highlighting their vulnerability to distant water scarcity. Our findings reveal the need for nations to collaboratively manage and conserve water resources, and lay the foundation for firms in high VWSR-importing sectors to develop strategies to mitigate such risk.

  17. Adjustment and Optimization of the Cropping Systems under Water Constraint

    Directory of Open Access Journals (Sweden)

    Pingli An

    2016-11-01

    Full Text Available The water constraint on agricultural production receives growing concern with the increasingly sharp contradiction between demand and supply of water resources. How to mitigate and adapt to potential water constraint is one of the key issues for ensuring food security and achieving sustainable agriculture in the context of climate change. It has been suggested that adjustment and optimization of cropping systems could be an effective measure to improve water management and ensure food security. However, a knowledge gap still exists in how to quantify potential water constraint and how to select appropriate cropping systems. Here, we proposed a concept of water constraint risk and developed an approach for the evaluation of the water constraint risks for agricultural production by performing a case study in Daxing District, Beijing, China. The results show that, over the whole growth period, the order of the water constraint risks of crops from high to low was wheat, rice, broomcorn, foxtail millet, summer soybean, summer peanut, spring corn, and summer corn, and the order of the water constraint risks of the cropping systems from high to low was winter wheat-summer grain crops, rice, broomcorn, foxtail millet, and spring corn. Our results are consistent with the actual evolving process of cropping system. This indicates that our proposed method is practicable to adjust and optimize the cropping systems to mitigate and adapt to potential water risks. This study provides an insight into the adjustment and optimization of cropping systems under resource constraints.

  18. Hydroponic systems and water management in aquaponics: A review

    Directory of Open Access Journals (Sweden)

    Carmelo Maucieri

    2017-09-01

    Full Text Available Aquaponics (AP, the integrated multi-trophic fish and plants production in quasi-closed recirculating system, is one of the newest sustainable food production systems. The hydroponic component of the AP directly influences water quality (in turn influencing fish growth and health, and water consumption (through evapotranspiration of the entire system. In order to assess the role of the design and the management of the hydroponic component on the overall performance, and water consumption of the aquaponics, 122 papers published from 1979 to 2017 were reviewed. Although no unequivocal results were found, the nutrient film technique appears in several aspects less efficient than medium-based or floating raft hydroponics. The best system performance in terms of fish and plant growth, and the highest nutrient removal from water was achieved at water flow between 0.8 L min–1 and 8.0 L min–1. Data on water consumption of aquaponics are scarce, and no correlation between the ratio of hydroponic unit surface/fish tank volume and the system water loss was found. However, daily water loss was positively correlated with the hydroponic surface/fish tank volume ratio if the same experimental conditions and/or systems were compared. The plant species grown in hydroponics influenced the daily water loss in aquaponics, whereas no effect was exerted by the water flow (reciprocating flood/drain cycle or constant flow or type (medium-based, floating or nutrient film technique of hydroponics.

  19. Development and validation of a drinking water temperature model in domestic drinking water supply systems

    NARCIS (Netherlands)

    Zlatanovic, Ljiljana; Moerman, Andreas; Hoek, van der Jan Peter; Vreeburg, Jan; Blokker, Mirjam

    2017-01-01

    Domestic drinking water supply systems (DDWSs) are the final step in the delivery of drinking water to consumers. Temperature is one of the rate-controlling parameters for many chemical and microbiological processes and is, therefore, considered as a surrogate parameter for water quality

  20. Development and validation of a drinking water temperature model in domestic drinking water supply systems

    NARCIS (Netherlands)

    Zlatanović, L.; Moerman, A.; van der Hoek, J.P.; Vreeburg, J.H.G.; Blokker, M

    2017-01-01

    Domestic drinking water supply systems (DDWSs) are the final step in the delivery of drinking water to consumers. Temperature is one of the rate-controlling parameters for many chemical and microbiological processes and is, therefore, considered as a surrogate parameter for water quality processes.

  1. Distribution of Complex Chemicals in Oil-Water Systems

    DEFF Research Database (Denmark)

    Riaz, Muhammad

    . In order to inhibit gas hydrate formation in subsea pipelines monoethylene glycol (MEG) and methanol are injected in large amounts. It is important to know the distribution of these chemicals in oil and water systems for economical operation of a production facility and to evaluate their impact on marine...... life. Furthermore distribution of chemicals is important information for downstream processing of oil and gas. The purpose of this project is the experimental measurement and the thermodynamic modeling of distribution of these complex chemicals in oil-water systems. Traditionally distribution...... of chemicals in oil-water system is calculated using octanol-water partition coefficients. But experiments carried out by Statoil R & D have shown that octanol-water partition coefficients (Kow) do not always mimic oil-water partition coefficients (Koil-water) and therefore calculations may not be always...

  2. Calculation of dipole polarizability derivatives of adamantane and their use in electron scattering computations

    Czech Academy of Sciences Publication Activity Database

    Sauer, S. P. A.; Paidarová, Ivana; Čársky, Petr; Čurík, Roman

    2016-01-01

    Roč. 70, č. 5 (2016), č. článku 105. ISSN 1434-6060 R&D Projects: GA MŠk LD14088 Grant - others:COST(XE) CM1301 Institutional support: RVO:61388955 Keywords : DENSITY-FUNCTIONAL-THEORY * COUPLED-CLUSTER CALCULATIONS * FREQUENCY-DEPENDENT POLARIZABILITIES Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.288, year: 2016

  3. Natural Fe3O4 nanoparticles embedded zinc–tellurite glasses: Polarizability and optical properties

    International Nuclear Information System (INIS)

    Widanarto, W.; Sahar, M.R.; Ghoshal, S.K.; Arifin, R.; Rohani, M.S.; Hamzah, K.; Jandra, M.

    2013-01-01

    Modifying the optical behavior of zinc–tellurite glass by embedding magnetic nanoparticles has implication in nanophotonics. A series of zinc–tellurite glasses containing natural Fe 3 O 4 nanoparticles with composition (80 − x)TeO 2 ·xFe 3 O 4 ·20ZnO (0 ≤ x ≤ 2) in mol% are synthesized by melt quenching method and their optical properties are investigated using FTIR and UV–vis–NIR spectroscopies. Lorentz–Lorenz relations are exploited to determine the refractive index, molar refraction and electronic polarizability. The sharp absorption peaks of FTIR spectra show a shift from 667 cm −1 to 671 cm −1 in the presence of nanoparticles that increase the non-bridging oxygen, confirmed by the intensity change of the TeO 3 peak at 752 cm −1 . A new peak around 461 cm −1 is also observed which is attributed to the band characteristic of covalent Fe–O linkages. A decrease in the Urbach energy as much as 0.122 eV and the optical energy band gap with the increase of Fe 3 O 4 concentration (0.5–1.0 mol%) is evidenced. Electronic polarizability of the glasses increases with increasing Fe 3 O 4 nanoparticles concentration up to 1 mol%. Interestingly, the polarizability tends to decrease with the further increase of Fe 3 O 4 concentration at 2 mol%. The role of magnetic nanoparticles in influencing the structural and optical behavior are examined and understood. - Highlights: ► Incorporation of natural Fe 3 O 4 nanoparticles into the zinc–tellurite glass. ► Influence of magnetic nanoparticles in modifying structure and optical properties. ► Enhancement of refraction index and change in electronic polarizability

  4. Polarizational stopping power of heavy-ion diclusters in two-dimensional electron liquids

    International Nuclear Information System (INIS)

    Ballester, D.; Fuentes, A. M.; Tkachenko, I. M.

    2007-01-01

    The in-plane polarizational stopping power of heavy-ion diclusters in a two-dimensional strongly coupled electron liquid is studied. Analytical expressions for the stopping power of both fast and slow projectiles are derived. To go beyond the random-phase approximation we make use of the inverse dielectric function obtained by means of the method of moments and some recent analytical expressions for the static local-field correction factor

  5. Modeling magnetic circular dichroism within the polarizable embedding approach

    DEFF Research Database (Denmark)

    Nørby, Morten Steen; Coriani, Sonia; Kongsted, Jacob

    2018-01-01

    Magnetic circular dichroism (MCD) is defined as the differential absorption of left and right circularly polarized light in a sample subjected to an external magnetic field. In order to interpret the results of MCD measurements, theoretical predictions of key MCD parameters can be of utmost...... of the more conventional dielectric continuum approach. Results are presented for cytosine and hypoxanthine solvated in water....

  6. Desiccant Dewpoint Cooling System Independent of External Water Sources

    DEFF Research Database (Denmark)

    Bellemo, Lorenzo; Elmegaard, Brian; Markussen, Wiebke B.

    2015-01-01

    This paper presents a patent pending technical solution aiming to make desiccant cooling systems independent of external water sources, hence solving problems of water availability, cost and treatment that can decrease the system attractiveness. The solution consists in condensing water from...... the air that regenerates the desiccant dehumidifier, and using it for running the evaporative coolers in the system. A closed regeneration circuit is used for maximizing the amount of condensed water. This solution is applied to a system with a desiccant wheel dehumidifier and a dew point cooler, termed...... desiccant dew-point cooling system, for demonstrating its function and applicability. Simulations are carried out for varying outdoor conditions under constant supply conditions. The results show that the system is independent of external water supply for the majority of simulated conditions. In comparison...

  7. Water Treatment Systems Make a Big Splash

    Science.gov (United States)

    2004-01-01

    In the 1960s, NASA's Manned Space Center (now known as Johnson Space Center) and the Garrett Corporation, Air Research Division, conducted a research program to develop a small, lightweight water purifier for the Apollo spacecraft that would require minimal power and would not need to be monitored around-the-clock by astronauts in orbit. The 9-ounce purifier, slightly larger than a cigarette pack and completely chlorine-free, dispensed silver ions into the spacecraft s water supply to successfully kill off bacteria. A NASA Technical Brief released around the time of the research reported that the silver ions did not impart an unpleasant taste to the water. NASA s ingenuity to control microbial contamination in space caught on quickly, opening the doors for safer methods of controlling water pollutants on Earth.

  8. Lyophilization for Water Recovery III, System Design

    Science.gov (United States)

    Litwiller, Eric; Reinhard, Martin; Fisher, John; Flynn, Michael

    2005-01-01

    Mixed liquid/solid wastes, including feces, water processor effluents, and food waste, can be lyophilized (freeze-dried) to recover the water they contain and stabilize the solids that remain. Our previous research has demonstrated the potential benefits of using thermoelectric heat pumps to build a lyophilizer for processing waste in microgravity. These results were used to build a working prototype suitable for ground- based human testing. This paper describes the prototype design and presents results of functional and performance tests.

  9. Bounds on complex polarizabilities and a new perspective on scattering by a lossy inclusion

    Science.gov (United States)

    Milton, Graeme W.

    2017-09-01

    Here, we obtain explicit formulas for bounds on the complex electrical polarizability at a given frequency of an inclusion with known volume that follow directly from the quasistatic bounds of Bergman and Milton on the effective complex dielectric constant of a two-phase medium. We also describe how analogous bounds on the orientationally averaged bulk and shear polarizabilities at a given frequency can be obtained from bounds on the effective complex bulk and shear moduli of a two-phase medium obtained by Milton, Gibiansky, and Berryman, using the quasistatic variational principles of Cherkaev and Gibiansky. We also show how the polarizability problem and the acoustic scattering problem can both be reformulated in an abstract setting as "Y problems." In the acoustic scattering context, to avoid explicit introduction of the Sommerfeld radiation condition, we introduce auxiliary fields at infinity and an appropriate "constitutive law" there, which forces the Sommerfeld radiation condition to hold. As a consequence, we obtain minimization variational principles for acoustic scattering that can be used to obtain bounds on the complex backwards scattering amplitude. Some explicit elementary bounds are given.

  10. Measurements of double-polarized compton scattering asymmetries and extraction of the proton spin polarizabilities.

    Science.gov (United States)

    Martel, P P; Miskimen, R; Aguar-Bartolome, P; Ahrens, J; Akondi, C S; Annand, J R M; Arends, H J; Barnes, W; Beck, R; Bernstein, A; Borisov, N; Braghieri, A; Briscoe, W J; Cherepnya, S; Collicott, C; Costanza, S; Denig, A; Dieterle, M; Downie, E J; Fil'kov, L V; Garni, S; Glazier, D I; Gradl, W; Gurevich, G; Hall Barrientos, P; Hamilton, D; Hornidge, D; Howdle, D; Huber, G M; Jude, T C; Kaeser, A; Kashevarov, V L; Keshelashvili, I; Kondratiev, R; Korolija, M; Krusche, B; Lazarev, A; Lisin, V; Livingston, K; MacGregor, I J D; Mancell, J; Manley, D M; Meyer, W; Middleton, D G; Mushkarenkov, A; Nefkens, B M K; Neganov, A; Nikolaev, A; Oberle, M; Ortega Spina, H; Ostrick, M; Ott, P; Otte, P B; Oussena, B; Pedroni, P; Polonski, A; Polyansky, V; Prakhov, S; Rajabi, A; Reicherz, G; Rostomyan, T; Sarty, A; Schrauf, S; Schumann, S; Sikora, M H; Starostin, A; Steffen, O; Strakovsky, I I; Strub, T; Supek, I; Thiel, M; Tiator, L; Thomas, A; Unverzagt, M; Usov, Y; Watts, D P; Witthauer, L; Werthmüller, D; Wolfes, M

    2015-03-20

    The spin polarizabilities of the nucleon describe how the spin of the nucleon responds to an incident polarized photon. The most model-independent way to extract the nucleon spin polarizabilities is through polarized Compton scattering. Double-polarized Compton scattering asymmetries on the proton were measured in the Δ(1232) region using circularly polarized incident photons and a transversely polarized proton target at the Mainz Microtron. Fits to asymmetry data were performed using a dispersion model calculation and a baryon chiral perturbation theory calculation, and a separation of all four proton spin polarizabilities in the multipole basis was achieved. The analysis based on a dispersion model calculation yields γ(E1E1)=-3.5±1.2, γ(M1M1)=3.16±0.85, γ(E1M2)=-0.7±1.2, and γ(M1E2)=1.99±0.29, in units of 10(-4)  fm(4).

  11. Relativistic many-body calculation of energies, lifetimes, hyperfine constants, and polarizabilities in 7Li

    International Nuclear Information System (INIS)

    Johnson, W. R.; Safronova, U. I.; Derevianko, A.; Safronova, M. S.

    2008-01-01

    The excitation energies of ns, np, nd, and nf (n≤6) states in neutral lithium are evaluated within the framework of relativistic many-body theory. First-, second-, third-, and all-order Coulomb energies and first- and second-order Breit corrections to energies are calculated. All-order calculations of reduced matrix elements, oscillator strengths, transition rates, and lifetimes are given for levels up to n=4. Electric-dipole (2s-np), electric-quadrupole (2s-nd), and electric-octupole (2s-nf), matrix elements are evaluated to obtain the corresponding ground-state multipole polarizabilities using the sum-over-states approach. Scalar and tensor polarizabilities for the 2p 1/2 and 2p 3/2 states are also calculated. Magnetic-dipole hyperfine constants A are determined for low-lying levels up to n=4. The quadratic Stark shift for the (F=2 M=0)↔(F=1 M=0) ground-state hyperfine transition is found to be -0.0582 Hz/(kV/cm) 2 , in slight disagreement with the experimental value -0.061±0.002 Hz/(kV/cm) 2 . Matrix elements used in evaluating polarizabilities, hyperfine constants, and the quadratic Stark shift are obtained using the all-order method

  12. Communication: Polarizable polymer chain under external electric field in a dilute polymer solution

    International Nuclear Information System (INIS)

    Budkov, Yu. A.; Kolesnikov, A. L.; Kiselev, M. G.

    2015-01-01

    We study the conformational behavior of polarizable polymer chain under an external homogeneous electric field within the Flory type self-consistent field theory. We consider the influence of electric field on the polymer coil as well as on the polymer globule. We show that when the polymer chain conformation is a coil, application of external electric field leads to its additional swelling. However, when the polymer conformation is a globule, a sufficiently strong field can induce a globule-coil transition. We show that such “field-induced” globule-coil transition at the sufficiently small monomer polarizabilities goes quite smoothly. On the contrary, when the monomer polarizability exceeds a certain threshold value, the globule-coil transition occurs as a dramatic expansion in the regime of first-order phase transition. The developed theoretical model can be applied to predicting polymer globule density change under external electric field in order to provide more efficient processes of polymer functionalization, such as sorption, dyeing, and chemical modification

  13. Measuring the dynamic polarizability of tungsten atom via electrical wire explosion in vacuum

    Science.gov (United States)

    Shi, Huantong; Zou, Xiaobing; Wang, Xinxin

    2018-02-01

    Electrical explosion of wire provides a practical approach to the experimental measurement of dynamic polarizability of metal atoms with high melting and boiling temperatures. With the help of insulation coating, a section of tungsten wire was transformed to the plasma state while the near electrode region was partially vaporized, which enabled us to locate the "neutral-region" (consisting of gaseous atoms) in the Mach-Zehnder interferogram. In this paper, the polarizability of the tungsten atom at 532 nm was reconstructed based on a technique previously used for the same purpose, and the basic preconditions of the measurement were verified in detail, including the existence of the neutral region, conservation of linear density of tungsten during wire expansion, and neglect of the vaporized insulation coating. The typical imaging time varied from 80 ns to as late as 200 ns and the reconstructed polarizability of the tungsten atom was 16 ± 1 Å3, which showed good statistical consistency and was also in good agreement with the previous results.

  14. Electroabsorption spectra of carotenoid isomers: Conformational modulation of polarizability vs. induced dipole moments

    International Nuclear Information System (INIS)

    Krawczyk, Stanislaw; Jazurek, Beata; Luchowski, Rafal; Wiacek, Dariusz

    2006-01-01

    Electroabsorption spectra of all-trans, 13-cis and 15-cis isomers of carotenoids violaxanthin and β-carotene frozen in organic solvents were analysed in terms of changes in permanent dipole moment, Δμ, and in the linear polarizability, Δα, on electronic excitation. The spectral range investigated covered the two carotenoid absorption bands in the VIS and UV, known to originate from differently oriented transition dipole moments. In contrast with the collinearity of the apparent Δμ with Δα in the lowest-energy allowed (VIS) transition 1A g - ->1B u + , the axis of the largest polarizability change in the UV transition 1A g - ->1A g + (''cis band'') was found to make a large angle with the transition moment, while the direction of Δμ appears to be much closer to it. These data support the view that Δμ's inferred from electrochromic spectra of carotenoids are apparent and are not induced by the local matrix field in the solvent cavity, but merely result from conformational modulation of molecular polarizability

  15. The optimisation of a water distribution system using Bentley WaterGEMS software

    Directory of Open Access Journals (Sweden)

    Świtnicka Karolina

    2017-01-01

    Full Text Available The proper maintenance of water distribution systems (WDSs requires from operators multiple actions in order to ensure optimal functioning. Usually, all requirements should be adjusted simultaneously. Therefore, the decision-making process is often supported by multi-criteria optimisation methods. Significant improvements of exploitation conditions of WDSs functioning can be achieved by connecting small water supply networks into group systems. Among many potential tools supporting advanced maintenance and management of WDSs, significant improvements have tools that can find the optimal solution by the implemented mechanism of metaheuristic methods, such as the genetic algorithm. In this paper, an exemplary WDS functioning optimisation is presented, in relevance to a group water supply system. The action range of optimised parameters included: maximisation of water flow velocity, regulation of pressure head, minimisation of water retention time in a network (water age and minimisation of pump energy consumption. All simulations were performed in Bentley WaterGEMS software.

  16. Ozonation system for treatment of cooling tower water

    Energy Technology Data Exchange (ETDEWEB)

    Coakley, T.; Horton, A.; Kaplan, B.

    1994-11-10

    An improved system for treatment of cooling tower water using ozone as a biocide. A self-contained unit is supplied with compressed air which is introduced to ozone generating electrodes at a constant flowrate. The ozone is mixed with tower water and then returned to the cooling tower. A sampling probe allows for constant monitoring of the ozone content of water coming from the tower. The volume of ozone mixing with the tower water is accordingly constantly adjusted. The system also includes safety control features to monitor system operation and provide shutoff in the event of malfunction. (author).

  17. Crew Exploration Vehicle (CEV) Potable Water System Verification Description

    Science.gov (United States)

    Peterson, Laurie; DeVera, Jean; Vega, Leticia; Adam, Nik; Steele, John; Gazda, Daniel; Roberts, Michael

    2009-01-01

    The Crew Exploration Vehicle (CEV), also known as Orion, will ferry a crew of up to six astronauts to the International Space Station (ISS), or a crew of up to four astronauts to the moon. The first launch of CEV is scheduled for approximately 2014. A stored water system on the CEV will supply the crew with potable water for various purposes: drinking and food rehydration, hygiene, medical needs, sublimation, and various contingency situations. The current baseline biocide for the stored water system is ionic silver, similar in composition to the biocide used to maintain quality of the water transferred from the Orbiter to the ISS and stored in Contingency Water Containers (CWCs). In the CEV water system, the ionic silver biocide is expected to be depleted from solution due to ionic silver plating onto the surfaces of the materials within the CEV water system, thus negating its effectiveness as a biocide. Since the biocide depletion is expected to occur within a short amount of time after loading the water into the CEV water tanks at the Kennedy Space Center (KSC), an additional microbial control is a 0.1 micron point of use filter that will be used at the outlet of the Potable Water Dispenser (PWD). Because this may be the first time NASA is considering a stored water system for longterm missions that does not maintain a residual biocide, a team of experts in materials compatibility, biofilms and point of use filters, surface treatment and coatings, and biocides has been created to pinpoint concerns and perform testing to help alleviate those concerns related to the CEV water system. Results from the test plans laid out in the paper presented to SAE last year (Crew Exploration Vehicle (CEV) Potable Water System Verification Coordination, 2008012083) will be detailed in this paper. Additionally, recommendations for the CEV verification will be described for risk mitigation in meeting the physicochemical and microbiological requirements on the CEV PWS.

  18. Emergy evaluation of water utilization benefits in water-ecological-economic system based on water cycle process

    Science.gov (United States)

    Guo, X.; Wu, Z.; Lv, C.

    2017-12-01

    The water utilization benefits are formed by the material flow, energy flow, information flow and value stream in the whole water cycle process, and reflected along with the material circulation of inner system. But most of traditional water utilization benefits evaluation are based on the macro level, only consider the whole material input and output and energy conversion relation, and lack the characterization of water utilization benefits accompanying with water cycle process from the formation mechanism. In addition, most studies are from the perspective of economics, only pay attention to the whole economic output and sewage treatment economic investment, but neglect the ecological function benefits of water cycle, Therefore, from the perspective of internal material circulation in the whole system, taking water cycle process as the process of material circulation and energy flow, the circulation and flow process of water and other ecological environment, social economic elements were described, and the composition of water utilization positive and negative benefits in water-ecological-economic system was explored, and the performance of each benefit was analyzed. On this basis, the emergy calculation method of each benefit was proposed by emergy quantitative analysis technique, which can realize the unified measurement and evaluation of water utilization benefits in water-ecological-economic system. Then, taking Zhengzhou city as an example, the corresponding benefits of different water cycle links were calculated quantitatively by emergy method, and the results showed that the emergy evaluation method of water utilization benefits can unify the ecosystem and the economic system, achieve uniform quantitative analysis, and measure the true value of natural resources and human economic activities comprehensively.

  19. A General Water Resources Regulation Software System in China

    Science.gov (United States)

    LEI, X.

    2017-12-01

    To avoid iterative development of core modules in water resource normal regulation and emergency regulation and improve the capability of maintenance and optimization upgrading of regulation models and business logics, a general water resources regulation software framework was developed based on the collection and analysis of common demands for water resources regulation and emergency management. It can provide a customizable, secondary developed and extensible software framework for the three-level platform "MWR-Basin-Province". Meanwhile, this general software system can realize business collaboration and information sharing of water resources regulation schemes among the three-level platforms, so as to improve the decision-making ability of national water resources regulation. There are four main modules involved in the general software system: 1) A complete set of general water resources regulation modules allows secondary developer to custom-develop water resources regulation decision-making systems; 2) A complete set of model base and model computing software released in the form of Cloud services; 3) A complete set of tools to build the concept map and model system of basin water resources regulation, as well as a model management system to calibrate and configure model parameters; 4) A database which satisfies business functions and functional requirements of general water resources regulation software can finally provide technical support for building basin or regional water resources regulation models.

  20. Particulate fingerprinting of water quality in the distribution system ...

    African Journals Online (AJOL)

    Particles in the distribution system play an important role in the perception? Not clear what is meant) of drinking water quality, particularly in association with discolouration. In The Netherlands the water quality in the distribution system is traditionally monitored by turbidity measurements. However, turbidity is hard to quantify ...

  1. The Intangible Water Heritage in Algeria, The Foggara System in ...

    African Journals Online (AJOL)

    The recent developments in the heritage signification are showing a particular interest to the hydraulic systems as a heritage drawing part of the human achievement through history, and as inspiring source for current water systems in their aim to reinforce water distribution equity. The interest could be more obvious in the ...

  2. EBO feed water distribution system, experience gained from operation

    Energy Technology Data Exchange (ETDEWEB)

    Matal, O. [Energovyzkum, Brno (Switzerland); Schmidt, S.; Mihalik, M. [Atomove Elektrarne Bohunice, Jaslovske Bohunice (Switzerland)

    1997-12-31

    Advanced feed water distribution systems of the EBO design have been installed into steam generators at Units 3 and 4 of the NPP Jaslovske Bohunice (VVER 440). Experiences gained from the operation of steam generators with the advanced feed water distribution systems are discussed in the paper. (orig.). 4 refs.

  3. Impacts of residence time during storage on potential of water saving for grey water recycling system.

    Science.gov (United States)

    Liu, S; Butler, D; Memon, F A; Makropoulos, C; Avery, L; Jefferson, B

    2010-01-01

    Grey water recycling has been generally accepted and is about to move into practice in terms of sustainable development. Previous research has revealed the bacteria re-growth in grey water and reclaimed municipal water during storage. However, in most present grey water recycling practices, impacts of water quality changes during storage on the system's performance and design regulation have not been addressed. In this paper, performance of a constructed wetland based grey water recycling system was analysed by taking the constraint of residence time during storage into account using an object based household water cycle model. Two indicators, water saving efficiency (WSE) and residence time index (RTI), are employed to reflect the system's performance and residence time during storage respectively. Results show that WSE and RTI change with storage tank volumes oppositely. As both high WSE and RTI cannot be achieved simultaneously, it is concluded that in order to achieve the most cost-effective and safe solution, systems with both small grey and green tanks are needed, whilst accepting that only relatively modest water saving efficiency targets can be achieved. Higher efficiencies will only be practicable if water quality deterioration in the green water tank can be prevented by some means (e.g. disinfection).

  4. A methodology for the design of photovoltaic water supply systems

    International Nuclear Information System (INIS)

    Vilela, O.C.; Fraidenraich, N.

    2001-01-01

    Photovoltaic pumping systems are used nowadays as a valuable alternative to supply water to communities living in remote rural areas. Owing to the seasonal variation and the stochastic behavior of solar radiation, at certain times the supply of water may not be able to meet demand. A study has been made of the relationship between water pumping capacity, reservoir size and water demand, for a given water deficit. As a result, curves of equal water deficit (iso-deficit lines) can be obtained for various combinations of PV pumping capacity and reservoir size. A methodology to generate those curves is described, using as its main tool the characteristic curve of the system, that is, the relationship between water flow and collected solar radiation. The characteristic curve represents the combined behavior of the water pumping system and the well. The influence of the minimum collected solar radiation level, necessary to start the system's operation (the critical radiation level I C ). is also analyzed. Results show that PV pumping systems with different characteristic curves, but with the same critical levels, yield the same set of iso-deficit lines. This drastically reduces the number of necessary solutions to those corresponding to a few values of I C . Iso-deficit lines, calculated for the locality of Recife (PE), Brazil, are used to illustrate the sizing procedure PV water supply systems. (author)

  5. Multi-spark discharge system for preparation of nutritious water

    Science.gov (United States)

    Nakaso, Tetsushi; Harigai, Toru; Kusumawan, Sholihatta Aziz; Shimomura, Tomoya; Tanimoto, Tsuyoshi; Suda, Yoshiyuki; Takikawa, Hirofumi

    2018-01-01

    The nitrogen compound concentration in water is increased by atmospheric-pressure plasma discharge treatment. A rod-to-water electrode discharge treatment system using plasma discharge has been developed by our group to obtain water with a high concentration of nitrogen compounds, and this plasma-treated water improves the growth of chrysanthemum roots. However, it is difficult to apply the system to the agriculture because the amount of treated water obtained by using the system too small. In this study, a multi-spark discharge system (MSDS) equipped multiple spark plugs is presented to obtain a large amount of plasma-treated water. The MSDS consisted of inexpensive parts in order to reduce the system introduction cost for agriculture. To suppress the temperature increase of the spark plugs, the 9 spark plugs were divided into 3 groups, which were discharged in order. The plasma-treated water with a NO3- concentration of 50 mg/L was prepared using the MSDS for 90 min, and the treatment efficiency was about 6 times higher than that of our previous system. It was confirmed that the NO2-, O3, and H2O2 concentrations in the water were also increased by treating the water using the MSDS.

  6. Artificial sweetener sucralose in U.S. drinking water systems.

    Science.gov (United States)

    Mawhinney, Douglas B; Young, Robert B; Vanderford, Brett J; Borch, Thomas; Snyder, Shane A

    2011-10-15

    The artificial sweetener sucralose has recently been shown to be a widespread of contaminant of wastewater, surface water, and groundwater. In order to understand its occurrence in drinking water systems, water samples from 19 United States (U.S.) drinking water treatment plants (DWTPs) serving more than 28 million people were analyzed for sucralose using liquid chromatography tandem mass spectrometry (LC-MS/MS). Sucralose was found to be present in source water of 15 out of 19 DWTPs (47-2900 ng/L), finished water of 13 out of 17 DWTPs (49-2400 ng/L) and distribution system water of 8 out of the 12 DWTPs (48-2400 ng/L) tested. Sucralose was only found to be present in source waters with known wastewater influence and/or recreational usage, and displayed low removal (12% average) in the DWTPs where finished water was sampled. Further, in the subset of DWTPs with distribution system water sampled, the compound was found to persist regardless of the presence of residual chlorine or chloramines. In order to understand intra-DWTP consistency, sucralose was monitored at one drinking water treatment plant over an 11 month period from March 2010 through January 2011, and averaged 440 ng/L in the source water and 350 ng/L in the finished water. The results of this study confirm that sucralose will function well as an indicator compound for anthropogenic influence on source, finished drinking and distribution system (i.e., tap) water, as well as an indicator compound for the presence of other recalcitrant compounds in finished drinking water in the U.S.

  7. Performance of Control System Using Microcontroller for Sea Water Circulation

    Science.gov (United States)

    Indriani, A.; Witanto, Y.; Pratama, A. S.; Supriyadi; Hendra; Tanjung, A.

    2018-02-01

    Now a day control system is very important rule for any process. Control system have been used in the automatic system. Automatic system can be seen in the industrial filed, mechanical field, electrical field and etc. In industrial and mechanical field, control system are used for control of motion component such as motor, conveyor, machine, control of process made of product, control of system and soon. In electrical field, control system can met for control of electrical system as equipment or part electrical like fan, rice cooker, refrigerator, air conditioner and etc. Control system are used for control of temperature and circulation gas, air and water. Control system of temperature and circulation of water also can be used for fisher community. Control system can be create by using microcontroller, PLC and other automatic program [1][2]. In this paper we will focus on the close loop system by using microcontroller Arduino Mega to control of temperature and circulation of sea water for fisher community. Performance control system is influenced by control equipment, sensor sensitivity, test condition, environment and others. The temperature sensor is measured using the DS18S20 and the sea water clarity sensor for circulation indicator with turbidity sensor. From the test results indicated that this control system can circulate sea water and maintain the temperature and clarity of seawater in a short time.

  8. Silver Ion Biocide Delivery System for Water Disinfection

    Science.gov (United States)

    Slote, Benjamin M.; Salley, Edward; Carr, Daniel; Kimble, Michael C.; Adam, Niklas

    2016-01-01

    U.S. space exploration missions have long considered returning to the Moon and exploration of Mars that challenge life support systems. For these long duration missions, there is interest in replacing the iodine water treatment system with ionic silver, a proven biocide. For long duration exploration missions, it is imperative that an effective biocide be used that prevents microbial growth, biofilm formation, and microbially induced corrosion in the water storage and distribution systems while minimizing logistical supply requirements associated with the biocide delivery system. Two biocide delivery systems have been developed that electrochemically produce silver ions for disinfecting water throughout the water storage and distribution system. One system uses a newly developed hybrid micro-filtration and ion-exchange membrane to produce an abundance of silver ions at the 1000 ppb level upstream in the water distribution system to prevent biofilm growth. This is followed by a downstream collection module that electrochemically removes these silver ions before the water is discharged. Another approach uses a membraneless reactor to produce a 1000 ppb silver ion concentration level that also has a mechanically driven electrode cleaning mechanism that removes oxide films ensuring long life operation. By maintaining a sufficiently high level of silver ions throughout the water storage and distribution system, biofilm formation is suppressed. This approach overcomes present concerns where spurious silver deposition occurs on the container and flow line surfaces thus lowering the silver ion concentration to unsatisfactory disinfection levels.

  9. Developing the Water Supply System for Travel to Mars

    Science.gov (United States)

    Jones, Harry W.; Fisher, John W.; Delzeit, Lance D.; Flynn, Michael T.; Kliss, Mark H.

    2016-01-01

    What water supply method should be used on a trip to Mars? Two alternate approaches are using fuel cell and stored water, as was done for short missions such as Apollo and the Space Shuttle, or recycling most of the water, as on long missions including the International Space Station (ISS). Stored water is inexpensive for brief missions but its launch mass and cost become very large for long missions. Recycling systems have much lower total mass and cost for long missions, but they have high development cost and are more expensive to operate than storage. A Mars transit mission would have an intermediate duration of about 450 days out and back. Since Mars transit is about ten times longer than a brief mission but probably less than one-tenth as long as ISS, it is not clear if stored or recycled water would be best. Recycling system design is complicated because water is used for different purposes, drinking, food preparation, washing, and flushing the urinal, and because wastewater has different forms, humidity condensate, dirty wash water, and urine and flush water. The uses have different requirements and the wastewater resources have different contaminants and processing requirements. The most cost-effective water supply system may recycle some wastewater sources and also provide safety reserve water from storage. Different water supply technologies are compared using mass, cost, reliability, and other factors.

  10. Design of aquaponics water monitoring system using Arduino microcontroller

    Science.gov (United States)

    Murad, S. A. Z.; Harun, A.; Mohyar, S. N.; Sapawi, R.; Ten, S. Y.

    2017-09-01

    This paper describes the design of aquaponics water monitoring system using Arduino microcontroller. Arduino Development Environment (IDE) software is used to develop a program for the microcontroller to communicate with multiple sensors and other hardware. The circuit of pH sensor, temperature sensor, water sensor, servo, liquid crystal displays (LCD), peristaltic pump, solar and Global System for Mobile communication (GSM) are constructed and connected to the system. The system powered by a rechargeable battery using solar energy. When the results of pH, temperature and water sensor are out of range, a notification message will be sent to a mobile phone through GSM. If the pH of water is out of range, peristaltic pump is automatic on to maintain back the pH value of water. The water sensor is fixed in the siphon outlet water flow to detect water flow from grow bed to the fish tank. In addition, servo is used to auto feeding the fish for every 12 hours. Meanwhile, the LCD is indicated the pH, temperature, siphon outlet water flow and remaining time for the next feeding cycle. The pH and temperature of water are set in the ranges of 6 to 7 and 25 °C to 30 °C, respectively.

  11. Sustainable Water Management in Urban, Agricultural, and Natural Systems

    Directory of Open Access Journals (Sweden)

    Tess Russo

    2014-12-01

    Full Text Available Sustainable water management (SWM requires allocating between competing water sector demands, and balancing the financial and social resources required to support necessary water systems. The objective of this review is to assess SWM in three sectors: urban, agricultural, and natural systems. This review explores the following questions: (1 How is SWM defined and evaluated? (2 What are the challenges associated with sustainable development in each sector? (3 What are the areas of greatest potential improvement in urban and agricultural water management systems? And (4 What role does country development status have in SWM practices? The methods for evaluating water management practices range from relatively simple indicator methods to integration of multiple models, depending on the complexity of the problem and resources of the investigators. The two key findings and recommendations for meeting SWM objectives are: (1 all forms of water must be considered usable, and reusable, water resources; and (2 increasing agricultural crop water production represents the largest opportunity for reducing total water consumption, and will be required to meet global food security needs. The level of regional development should not dictate sustainability objectives, however local infrastructure conditions and financial capabilities should inform the details of water system design and evaluation.

  12. Small Water System Management Program: 100 K Area

    International Nuclear Information System (INIS)

    Hunacek, G.S. Jr.

    1995-01-01

    Purposes of this document are: to provide an overview of the service and potable water system presently in service at the Hanford Site's 100 K Area; to provide future system forecasts based on anticipated DOE activities and programs; to delineate performance, design, and operations criteria; and to describe planned improvements. The objective of the small water system management program is to assure the water system is properly and reliably managed and operated, and continues to exist as a functional and viable entity in accordance with WAC 246-290-410

  13. Regional Water System Vulnerabilities and Strengths for Unavoidable Climate Adaptation

    Science.gov (United States)

    Gleick, P. H.; Palaniappan, M.; Christian-Smith, J.; Cooley, H.

    2011-12-01

    A wide range of options are available to help water systems prepare and adapt for unavoidable climate impacts, but these options vary depending on region, climatic conditions, economic status, and technical infrastructure in place. Drawing on case studies from the United States, India, and elsewhere, and from both urban and agricultural water systems, risks to water supply and quality are evaluated and summarized and categories of responses to help improve the effectiveness of adaptation policies are reviewed. Among the issues to be discussed are characteristics unique to developing country cities, such as the predominance of informal actors in the water sector. The formal, or government sector, which often exclusively manages water access and distribution in developed country cities, is only one among many players in the water sector in developing country cities. Informal access to water includes direct access by individuals through private groundwater systems, private water markets using vendors or sales of bottled water, and rainwater harvesting systems on individual homes. In this environment, with already existing pressures on water availability and use, the impacts of climate change on water will be strongly felt. This complicates planning for water supply and demand and risks increasing already prevalent water insecurity, especially for urban poor. In wealthier countries, any planning for water-related climate impacts tends to take the form of "business as usual" responses, such as efforts to expand supply with new infrastructure, manage demand through conservation programs, or simply put off addressing the problem to the next generation of managers and users. These approaches can be effective, but also risk missing unusual, non-linear, or threshold impacts. Examples of more informed and innovative efforts to substantively address climate change risks will be presented.

  14. Design optimization of photovoltaic powered water pumping systems

    International Nuclear Information System (INIS)

    Ghoneim, A.A.

    2006-01-01

    The use of photovoltaics as the power source for pumping water is one of the most promising areas in photovoltaic applications. With the increased use of water pumping systems, more attention has been paid to their design and optimum utilization in order to achieve the most reliable and economical operation. This paper presents the results of performance optimization of a photovoltaic powered water pumping system in the Kuwait climate. The direct coupled photovoltaic water pumping system studied consists of the PV array, DC motor, centrifugal pump, a storage tank that serves a similar purpose to battery storage and a maximum power point tracker to improve the efficiency of the system. The pumped water is desired to satisfy the domestic needs of 300 persons in a remote area in Kuwait. Assuming a figure of 40 l/person/day for water consumption, a volume of 12 m 3 should be pumped daily from a deep well throughout the year. A computer simulation program is developed to determine the performance of the proposed system in the Kuwait climate. The simulation program consists of a component model for the PV array with maximum power point tracker and component models for both the DC motor and the centrifugal pump. The five parameter model is adapted to simulate the performance of amorphous silicon solar cell modules. The size of the PV array, PV array orientation and the pump-motor-hydraulic system characteristics are varied to achieve the optimum performance for the proposed system. The life cycle cost method is implemented to evaluate the economic feasibility of the optimized photovoltaic powered water pumping system. At the current prices of PV modules, the cost of the proposed photovoltaic powered water pumping system is found to be less expensive than the cost of the conventional fuel system. In addition, the expected reduction in the prices of photovoltaic modules in the near future will make photovoltaic powered water pumping systems more feasible

  15. Parameterizing the soil - water - plant root system

    NARCIS (Netherlands)

    Feddes, R.A.; Raats, P.A.C.

    2004-01-01

    Root water uptake is described from the local scale, to the field scale and to the regional and global scales. The local macroscopic model can be incorporated in Soil-Plant-Atmosphere Continuum (SPAC) numerical models, like the SWAP, HYSWASOR, HYDRUS, ENVIRO-GRO and FUSSIM models. These SPAC models

  16. Molecular catalytic system for efficient water splitting

    NARCIS (Netherlands)

    Joya, Khurram Saleem

    2011-01-01

    The aim of this dissertation is to construct and explore artificial oxygen evolving complexes that are synthetically accessible, stable, functionally robust and efficient. To achieve this, a class of mono metal water splitting catalysts is introduced in this manuscript and exploitation of these

  17. Hybrid Membrane System for Industrial Water Reuse

    Energy Technology Data Exchange (ETDEWEB)

    None

    2016-08-01

    This factsheet describes a project that developed and demonstrated a new hybrid system for industrial wastewater treatment that synergistically combines a forward osmosis system with a membrane distillation technology and is powered by waste heat.

  18. Hydrologic response of northern wetlands to silvicultural water management systems

    Energy Technology Data Exchange (ETDEWEB)

    Trettin, C.C.

    1994-09-01

    Two types of water management systems are used to ameliorate saturated soil conditions which limit silvicultural operations and site productivity in northern wetlands. The pattern ditch system is an intensive drainage network designed to regulate water table depth in peat soils. The prescription drainage system is a low-intensity drainage system that is used to develop apparent drainage patterns in mineral and histic-mineral soils. These water management systems may either increase or decrease peak flow, base flow, and the duration of peak flow events, depending on drainage system design, climate, season, site characteristics, and land use. The most common hydrologic response to drainage is an increase in peak flow and base flow, and an increase in annual runoff. The effect of wetland drainage on watershed hydrology depends on the proportion of the watershed drained. Drainage may also affect water quality, nutrient cycling, vegetation composition and structure.

  19. WaterOnto: Ontology of Context-Aware Grid-Based Riverine Water Management System

    Directory of Open Access Journals (Sweden)

    Muhammad Hussain Mughal

    2017-06-01

    Full Text Available The management of riverine water always remains a big challenge, because the volatility of water flow creates hurdles to determine the exact time and quantity of water flowing in rivers and available for daily use. The volatile water caused by various water sources and irregular flow pattern generates different kinds of challenges for management. Distribution of flow of water in irrigation network affects the relevant community in either way. In the monsoon seasons, river belt community high risk of flood, while far living community suffering drought. Contemplating this situation, we have developed an ontology for context-aware information representation of riverine water management system abetting the visualization and proactive planning for the complex real-time situation. The purpose of this WaterOnto is to improve river water management and enable for efficient use of this precious natural resource. This would also be helpful to save the extra water being discharged in sea & non-irrigational areas, and magnitude and location of water leakage. We conceptualized stakeholder and relevant entities. We developed a taxonomy of irrigation system concepts in machine process able structure. Being woven these hierarchies together we developed a detailed conceptualization of river flow that helps us to manage the flow of water and enable to extract danger situation.

  20. Energy saving and recovery measures in integrated urban water systems

    Science.gov (United States)

    Freni, Gabriele; Sambito, Mariacrocetta

    2017-11-01

    The present paper describes different energy production, recovery and saving measures which can be applied in an integrated urban water system. Production measures are often based on the installation of photovoltaic systems; the recovery measures are commonly based on hydraulic turbines, exploiting the available pressure potential to produce energy; saving measures are based on substitution of old pumps with higher efficiency ones. The possibility of substituting some of the pipes of the water supply system can be also considered in a recovery scenario in order to reduce leakages and recovery part of the energy needed for water transport and treatment. The reduction of water losses can be obtained through the Active Leakage Control (ALC) strategies resulting in a reduction in energy consumption and in environmental impact. Measures were applied to a real case study to tested it the efficiency, i.e., the integrated urban water system of the Palermo metropolitan area in Sicily (Italy).

  1. Asellus aquaticus and other invertebrates in drinking water distribution systems

    DEFF Research Database (Denmark)

    Christensen, Sarah Christine

    and currently applied methods for removal of invertebrates from distribution systems are discussed and suggestions of control strategies are given, based on the results obtained in this study in order to obtain or maintain an acceptable level of invertebrates in drinking water systems....... hygiene. Whereas invertebrates in drinking water are known to host parasites in tropical countries they are largely regarded an aesthetical problem in temperate countries. Publications on invertebrate distribution in Danish systems have been completely absent and while reports from various countries have...... Campylobacter jejuni. Invertebrates enter drinking water systems through various routes e.g. through deficiencies in e.g. tanks, pipes, valves and fittings due to bursts or maintenance works. Some invertebrates pass treatment processes from ground water or surface water supplies while other routes may include...

  2. Design and control of a standalone PV water pumping system

    Directory of Open Access Journals (Sweden)

    Essam E. Aboul Zahab

    2017-09-01

    Full Text Available Water resources are vital for satisfying human needs. However, almost one-fifth of the world’s population – about 1.2 billion people – live in areas where water is physically rare. One quarter of the global population also live in developing countries that face water shortages. This paper presents standalone PV water pumping system. Photovoltaic (PV is the main power source, and lead acid batteries are used as energy storage system, to supply a water pump driven by a BLDC motor. The proposed control strategy consists of three control units. The first unit is to control the speed and hysteresis current controller for BLDC motor. The maximum power point tracking (MPPT is the second control unit, and the battery charging/discharging system is controlled by the third controller. The simulation results show the effectiveness and the good efficiency of the proposed system.

  3. Development of water chemistry diagnosis system for BWR primary loop

    International Nuclear Information System (INIS)

    Nagase, Makoto; Asakura, Yamato; Sakagami, Masaharu; Uchida, Shunsuke; Ohsumi, Katsumi.

    1988-01-01

    The prototype of a water chemistry diagnosis system for BWR primary loop has been developed. Its purposes are improvement of water chemistry control and reduction of the work burden on plant chemistry personnel. It has three main features as follows. (1) Intensifying the observation of water chemistry conditions by variable sampling intervals based on the on-line measured data. (2) Early detection of water chemistry data trends using a second order regression curve which is calculated from the measured data, and then searching the cause of anomaly if anything (3) Diagnosis of Fe concentration in feedwater using model simulations, in order to lower the radiation level in the primary system. (author)

  4. Temperature control system for water-perfused suits

    Science.gov (United States)

    Brengelmann, G. L.; Mckeag, M.; Rowell, L. B.

    1977-01-01

    A system used to control skin temperature in human subjects wearing water-perfused garments is described. It supplies 8 l/min at 10 psi with water temperature controlled within plus or minus 0.1 C. Temperature control is facilitated by a low circulating thermal mass and a fast responding heater based on a commercially available quartz heat lamp. The system is open so that hot or cold water can be added from the building mains to produce rates of change of water temperature exceeding 5 C/min. These capabilities allow semiautomatic control of skin temperature within plus or minus 0.1 C of desired wave forms.

  5. Maximum power point tracking techniques for photovoltaic water pumping system

    OpenAIRE

    Aashoor, Fathi

    2015-01-01

    An investigation into the design of a stand-alone photovoltaic water pumping system for supplying rural areas is presented. It includes a study of system components and their modelling. The PV water pumping system comprises a solar-cell-array, DC-DC buck chopper and permanent-magnet DC motor driving a centrifugal pump. The thesis focuses on increasing energy extraction by improving maximum power point tracking (MPPT). From different MPPT techniques previously proposed, the perturb and observe...

  6. Designing and visualizing the water-energy-food nexus system

    Science.gov (United States)

    Endo, A.; Kumazawa, T.; Yamada, M.; Kato, T.

    2017-12-01

    The objective of this study is to design and visualize a water-energy-food nexus system to identify the interrelationships between water-energy-food (WEF) resources and to understand the subsequent complexity of WEF nexus systems holistically, taking an interdisciplinary approach. Object-oriented concepts and ontology engineering methods were applied according to the hypothesis that the chains of changes in linkages between water, energy, and food resources holistically affect the water-energy-food nexus system, including natural and social systems, both temporally and spatially. The water-energy-food nexus system that is developed is significant because it allows us to: 1) visualize linkages between water, energy, and food resources in social and natural systems; 2) identify tradeoffs between these resources; 3) find a way of using resources efficiently or enhancing the synergy between the utilization of different resources; and 4) aid scenario planning using economic tools. The paper also discusses future challenges for applying the developed water-energy-food nexus system in other areas.

  7. Design and analysis of hydraulic ram water pumping system

    Science.gov (United States)

    Hussin, N. S. M.; Gamil, S. A.; Amin, N. A. M.; Safar, M. J. A.; Majid, M. S. A.; Kazim, M. N. F. M.; Nasir, N. F. M.

    2017-10-01

    The current pumping system (DC water pump) for agriculture is powered by household electricity, therefore, the cost of electricity will be increased due to the higher electricity consumption. In addition, the water needs to be supplied at different height of trees and different places that are far from the water source. The existing DC water pump can pump the water to 1.5 m height but it cost money for electrical source. The hydraulic ram is a mechanical water pump that suitable used for agriculture purpose. It can be a good substitute for DC water pump in agriculture use. The hydraulic ram water pumping system has ability to pump water using gravitational energy or the kinetic energy through flowing source of water. This project aims to analyze and develop the water ram pump in order to meet the desired delivery head up to 3 meter height with less operation cost. The hydraulic ram is designed using CATIA software. Simulation work has been done using ANSYS CFX software to validate the working concept. There are three design were tested in the experiment study. The best design reached target head of 3 m with 15% efficiency and flow rate of 11.82l/min. The results from this study show that the less diameter of pressure chamber and higher supply head will create higher pressure.

  8. Emergency field water supply system using natural filtration elements

    Science.gov (United States)

    Vikneswaran, M.; Yahya, Muhamad Azani; Yusof, Mohammed Alias; Ismail, Siti Nor Kamariah

    2018-02-01

    Water is the most important resource in times of emergency and during military missions. In addition, if there is a war in a country, sources of clean water are essential for life. But, the safety and cleanliness of the river water for the campers and hikers still uncertain. Usually, polluted and contaminated river water is not safe to be directly consumed by human. However, this problem can be partly resolved by using water filter where the river water can be consumed directly after the filtration process. In respect of that, this study was conducted to design the filter media for personal water purification system. Hence, the objective of this work also is to develop a personal, portable dual purpose handy water filter to provide an easier way to get safe, clean and healthy drinking water for human wherever they go. The water quality of samples collected before and after filtration were analyzed. Water samples were taken from a waterfall near Lestari Block and Lake beside Marine Centre UPNM Campus. The experimental results were analyzed based on the assessment of water quality parameters. Overall, the analysis of the results showed that the water filter was designed with basic mix tabs aqua filter water purification tablets is showing a better result where it achieve the class I of water quality index (WQI). In details, the water sample taken from waterfall near Lestari Block shown the WQI around 93 which is higher than WQI of water sample from Lake near Marine Centre UPNM which is 86, class II A which can be used for external purpose only.

  9. Leaks in the internal water supply piping systems

    Directory of Open Access Journals (Sweden)

    Orlov Evgeniy Vladimirovich

    2015-03-01

    Full Text Available Great water losses in the internal plumbing of a building lead to the waste of money for a fence, purification and supply of water volumes in excess. This does not support the concept of water conservation and resource saving lying today in the basis of any building’s construction having plumbing. Leakage means unplanned of water losses systems in domestic water supply systems (hot or cold as a result of impaired integrity, complicating the operation of a system and leading to high costs of repair and equipment restoration. A large number of leaks occur in old buildings, where the regulatory service life of pipelines has come to an end, and the scheduled repair for some reason has not been conducted. Steel pipelines are used in the systems without any protection from corrosion and they get out of order. Leakages in new houses are also not uncommon. They usually occur as a result of low-quality adjustment of the system by workers. It also important to note the absence of certain skills of plumbers, who don’t conduct the inspections of in-house systems in time. Sometimes also the residents themselves forget to keep their pipeline systems and water fittings in their apartment in good condition. Plumbers are not systematically invited for preventive examinations to detect possible leaks in the domestic plumbing. The amount of unproductive losses increases while simultaneous use of valve tenants, and at the increase of the number of residents in the building. Water leaks in the system depend on the amount of water system piping damages, and damages of other elements, for example, water valves, connections, etc. The pressure in the leak area also plays an important role.

  10. Modeling, control and optimization of water systems systems engineering methods for control and decision making tasks

    CERN Document Server

    2016-01-01

    This book provides essential background knowledge on the development of model-based real-world solutions in the field of control and decision making for water systems. It presents system engineering methods for modelling surface water and groundwater resources as well as water transportation systems (rivers, channels and pipelines). The models in turn provide information on both the water quantity (flow rates, water levels) of surface water and groundwater and on water quality. In addition, methods for modelling and predicting water demand are described. Sample applications of the models are presented, such as a water allocation decision support system for semi-arid regions, a multiple-criteria control model for run-of-river hydropower plants, and a supply network simulation for public services.

  11. Impact of emerging clean vehicle system on water stress

    International Nuclear Information System (INIS)

    Cai, Hua; Hu, Xiaojun; Xu, Ming

    2013-01-01

    Graphical abstract: Display Omitted - Highlights: • Clean vehicles may increase US water consumption up to 2810 billion gallons/year. • Large-scale clean vehicle adoption could lead to severe regional water stress. • Fuel choice for clean vehicle is crucial in minimizing regional water stress. • Regional optimization illustrated the importance of regional consideration. - Abstract: While clean vehicles (i.e., vehicles powered by alternative fuels other than fossil fuels) offer great potential to reduce greenhouse gas emissions from gasoline-based vehicles, the associated impact on water resources has not yet been fully assessed. This research provides a systematic evaluation of the impact of a fully implemented clean vehicle system on national and state-level water demand and water stress. On the national level, based on existing policies, transitioning the current gasoline-based transportation into one with clean vehicles will increase national annual water consumption by 1950–2810 billion gallons of water, depending on the market penetration of electric vehicles. On the state level, variances of water efficiency in producing different fuels are significant. The fuel choice for clean vehicle development is especially crucial for minimizing water stress increase in states with already high water stress, high travel demands, and significant variations in water efficiency in producing different alternative fuels. Current development of clean vehicle infrastructure, however, has not reflected these state-level variations. This study takes an optimization approach to further evaluate impacts on state-level water stress from a fully implemented clean vehicle system and identified potential roles (fuel producer or consumer) states may play in real world clean vehicle development scenario. With an objective of minimizing overall water stress impact, our optimization model aims to provide an analytical framework to better assess impacts on state-level water

  12. Small drinking water systems under spatiotemporal water quality variability: a risk-based performance benchmarking framework.

    Science.gov (United States)

    Bereskie, Ty; Haider, Husnain; Rodriguez, Manuel J; Sadiq, Rehan

    2017-08-23

    Traditional approaches for benchmarking drinking water systems are binary, based solely on the compliance and/or non-compliance of one or more water quality performance indicators against defined regulatory guidelines/standards. The consequence of water quality failure is dependent on location within a water supply system as well as time of the year (i.e., season) with varying levels of water consumption. Conventional approaches used for water quality comparison purposes fail to incorporate spatiotemporal variability and degrees of compliance and/or non-compliance. This can lead to misleading or inaccurate performance assessment data used in the performance benchmarking process. In this research, a hierarchical risk-based water quality performance benchmarking framework is proposed to evaluate small drinking water systems (SDWSs) through cross-comparison amongst similar systems. The proposed framework (R WQI framework) is designed to quantify consequence associated with seasonal and location-specific water quality issues in a given drinking water supply system to facilitate more efficient decision-making for SDWSs striving for continuous performance improvement. Fuzzy rule-based modelling is used to address imprecision associated with measuring performance based on singular water quality guidelines/standards and the uncertainties present in SDWS operations and monitoring. This proposed R WQI framework has been demonstrated using data collected from 16 SDWSs in Newfoundland and Labrador and Quebec, Canada, and compared to the Canadian Council of Ministers of the Environment WQI, a traditional, guidelines/standard-based approach. The study found that the R WQI framework provides an in-depth state of water quality and benchmarks SDWSs more rationally based on the frequency of occurrence and consequence of failure events.

  13. MUWS (Microbiology in Urban Water Systems – an interdisciplinary approach to study microbial communities in urban water systems

    Directory of Open Access Journals (Sweden)

    P. Deines

    2010-07-01

    Full Text Available Microbiology in Urban Water Systems (MUWS is an integrated project, which aims to characterize the microorganisms found in both potable water distribution systems and sewer networks. These large infrastructure systems have a major impact on our quality of life, and despite the importance of these systems as major components of the water cycle, little is known about their microbial ecology. Potable water distribution systems and sewer networks are both large, highly interconnected, dynamic, subject to time and varying inputs and demands, and difficult to control. Their performance also faces increasing loading due to increasing urbanization and longer-term environmental changes. Therefore, understanding the link between microbial ecology and any potential impacts on short or long-term engineering performance within urban water infrastructure systems is important. By combining the strengths and research expertise of civil-, biochemical engineers and molecular microbial ecologists, we ultimately aim to link microbial community abundance, diversity and function to physical and engineering variables so that novel insights into the performance and management of both water distribution systems and sewer networks can be explored. By presenting the details and principals behind the molecular microbiological techniques that we use, this paper demonstrates the potential of an integrated approach to better understand how urban water system function, and so meet future challenges.

  14. Modeling integrated water user decisions in intermittent supply systems

    Science.gov (United States)

    Rosenberg, David E.; Tarawneh, Tarek; Abdel-Khaleq, Rania; Lund, Jay R.

    2007-07-01

    We apply systems analysis to estimate household water use in an intermittent supply system considering numerous interdependent water user behaviors. Some 39 household actions include conservation; improving local storage or water quality; and accessing sources having variable costs, availabilities, reliabilities, and qualities. A stochastic optimization program with recourse decisions identifies the infrastructure investments and short-term coping actions a customer can adopt to cost-effectively respond to a probability distribution of piped water availability. Monte Carlo simulations show effects for a population of customers. Model calibration reproduces the distribution of billed residential water use in Amman, Jordan. Parametric analyses suggest economic and demand responses to increased availability and alternative pricing. It also suggests potential market penetration for conservation actions, associated water savings, and subsidies to entice further adoption. We discuss new insights to size, target, and finance conservation.

  15. Biofilms from a Brazilian water distribution system include filamentous fungi.

    Science.gov (United States)

    Siqueira, V M; Oliveira, H M B; Santos, C; Paterson, R R M; Gusmão, N B; Lima, N

    2013-03-01

    Filamentous fungi in drinking water can block water pipes, can cause organoleptic biodeterioration, and are a source of pathogens. There are increasing reports of the involvement of the organisms in biofilms. This present study describes a sampling device that can be inserted directly into pipes within water distribution systems, allowing biofilm formation in situ. Calcofluor White M2R staining and fluorescent in situ hybridization with morphological analyses using epifluorescent microscopy were used to analyse biofilms for filamentous fungi, permitting direct observation of the fungi. DAPI (4',6-diamidino-2-phenylindole) was applied to detect bacteria. Filamentous fungi were detected in biofilms after 6 months on coupons exposed to raw water, decanted water and at the entrance of the water distribution system. Algae, yeast, and bacteria were also observed. The role of filamentous fungi requires further investigations.

  16. Kyiv Small Rivers in Metropolis Water Objects System

    Science.gov (United States)

    Krelshteyn, P.; Dubnytska, M.

    2017-12-01

    The article answers the question, what really are the small underground rivers with artificial watercourses: water bodies or city engineering infrastructure objects? The place of such rivers in metropolis water objects system is identified. The ecological state and the degree of urbanization of small rivers, as well as the dynamics of change in these indicators are analysed on the Kiev city example with the help of water objects cadastre. It was found that the registration of small rivers in Kyiv city is not conducted, and the summary information on such water objects is absent and is not taken into account when making managerial decisions at the urban level. To solve this problem, we propose to create some water bodies accounting system (water cadastre).

  17. An Advanced Microturbine System with Water-Lubricated Bearings

    Directory of Open Access Journals (Sweden)

    Susumu Nakano

    2009-01-01

    Full Text Available A prototype of the next-generation, high-performance microturbine system was developed for laboratory evaluation. Its unique feature is its utilization of water. Water is the lubricant for the bearings in this first reported application of water-lubricated bearings in gas turbines. Bearing losses and limitations under usage conditions were found from component tests done on the bearings and load tests done on the prototype microturbine. The rotor system using the water-lubricated bearings achieved stable rotating conditions at a rated rotational speed of 51,000 rpm. An electrical output of 135 kW with an efficiency of more than 33% was obtained. Water was also utilized to improve electrical output and efficiency through water atomizing inlet air cooling (WAC and a humid air turbine (HAT. The operation test results for the WAC and HAT revealed the WAC and HAT operations had significant effects on both electrical output and electrical efficiency.

  18. Maintenance and Recovery of Water System for Injection (WFI)

    International Nuclear Information System (INIS)

    Wan Anuar Wan Awang; Ahmad Firdaus Jalil; Wan Mohd Firdaus Wan Ishak

    2015-01-01

    Water system for injection (WFI) is one of the main component in manufacturing pharmaceutical materials and radiopharmaceuticals. This system accredited in 2005. Water quality produced analyzed and give the unsatisfied results. The operation of WFI was stopped temporarily due to technical problems. In 2013, recovery works were implemented with budget of RM 226,500.00. Comprehensive maintenance were implemented by Rykertech (Asia) Sdn. Bhd. With duration of 24 months (October 2014 until September 2016) with cost RM 473,550.00. Now, this system operated in good condition and produced water that meet with the specifications. (author)

  19. 33 CFR 149.419 - Can the water supply for the helicopter deck fire protection system be part of a fire water system?

    Science.gov (United States)

    2010-07-01

    ... helicopter deck fire protection system be part of a fire water system? 149.419 Section 149.419 Navigation and... § 149.419 Can the water supply for the helicopter deck fire protection system be part of a fire water system? (a) The water supply for the helicopter deck fire protection system required under § 149.420 or...

  20. Unified many-body approach to van der Waals interactions based on semi-local polarizability functional

    Science.gov (United States)

    Hermann, Jan; Scheffler, Matthias; Tkatchenko, Alexandre

    Electromagnetic coupling of charge fluctuations leads to van der Waals (vdW) attraction in systems ranging from metal nanoparticles to dielectric materials. In this regard, broadly applicable and accurate description of vdW interactions in complex materials is an elusive and unsolved puzzle. Many promising approaches model various subsets of this general problem, but are limited in scope by the underlying parametrization (atomic models), in accuracy due to missing many-body interactions (nonlocal density functionals), or in efficiency by working with virtual orbital space (e.g., random-phase approximation). Here, we present a unifying method that combines key elements from different theories and accurately describes vdW interactions in covalent, ionic, and metallic systems. In particular, we employ a semi-local polarizability functional of the electron density and its gradient to parametrize material response and its coupling within the many-body dispersion framework, and demonstrate the generality of the method on binding in molecular dimers and crystals, carbon-based nanomaterials, oxides, and salts, as well as on adsorption of molecules on metal surfaces. Our approach allows consistent modelling of a wide spectrum of materials as well as hybrid materials with mixed bond types.

  1. Water Wells Monitoring Using SCADA System for Water Supply Network, Case Study: Water Treatment Plant Urseni, Timis County, Romania

    Science.gov (United States)

    Adrian-Lucian, Cococeanu; Ioana-Alina, Cretan; Ivona, Cojocinescu Mihaela; Teodor Eugen, Man; Narcis, Pelea George

    2017-10-01

    The water supply system in Timisoara Municipality is insured with about 25-30 % of the water demand from wells. The underground water headed to the water treatment plant in order to ensure equal distribution and pressure to consumers. The treatment plants used are Urseni and Ronaţ, near Timisoara, in Timis County. In Timisoara groundwater represents an alternative source for water supply and complementary to the surface water source. The present paper presents a case study with proposal and solutions for rehabilitation /equipment /modernization/ automation of water drilling in order to ensure that the entire system can be monitored and controlled remotely through SCADA (Supervisory control and data acquisition) system. The data collected from the field are designed for online efficiency monitoring regarding the energy consumption and water flow intake, performance indicators such as specific energy consumption KW/m3 and also in order to create a hydraulically system of the operating area to track the behavior of aquifers in time regarding the quality and quantity aspects.

  2. Effects of rainwater harvesting on centralized urban water supply systems

    DEFF Research Database (Denmark)

    Grandet, C.; Binning, Philip John; Mikkelsen, Peter Steen

    2010-01-01

    , Northern France, yielded supply reliabilities close to 100% for reasonable tank sizes (0.065 m3/m2 of roof area in Dinard compared with 0.262 m3/m2 in Nice with a RWSO of 30% for a detached house). However, the collection and use of rainfall results in a permanent decrease in mains water demand leading...... to an increase in water age in the distribution network. Investigations carried on a real network showed that water age is greatly affected when rainwater supplies more than 30% of the overall water demand. In urban water utilities planning, rainwater supply systems may however be profitable for the community......The potential effect of widespread rainwater harvesting practices on mains water demand and quality management are investigated for three different types of urban areas characterized by different roof area to water demand ratios. Two rainfall patterns are considered with similar average annual...

  3. Moderator clean-up system in a heavy water reactor

    International Nuclear Information System (INIS)

    Sasada, Yasuhiro; Hamamura, Kenji.

    1983-01-01

    Purpose: To decrease the fluctuation of the poison concentration in heavy water moderator due to a heavy water clean-up system. Constitution: To a calandria tank filled with heavy water as poison-containing moderators, are connected both end of a pipeway through which heavy water flows and to which a clean-up device is provided. Strongly basic resin is filled within the clean-up device and a cooler is disposed to a pipeway at the upstream of the clean-up device. In this structure, the temperature of heavy water at the inlet of the clean-up device at a constant level between the temperature at the exit of the cooler and the lowest temperature for the moderator to thereby decrease the fluctuation in the poison concentration in the heavy water moderator due to the heavy water clean-up device. (Moriyama, K.)

  4. Utilizing Climate Forecasts for Improving Water and Power Systems Coordination

    Science.gov (United States)

    Arumugam, S.; Queiroz, A.; Patskoski, J.; Mahinthakumar, K.; DeCarolis, J.

    2016-12-01

    Climate forecasts, typically monthly-to-seasonal precipitation forecasts, are commonly used to develop streamflow forecasts for improving reservoir management. Irrespective of their high skill in forecasting, temperature forecasts in developing power demand forecasts are not often considered along with streamflow forecasts for improving water and power systems coordination. In this study, we consider a prototype system to analyze the utility of climate forecasts, both precipitation and temperature, for improving water and power systems coordination. The prototype system, a unit-commitment model that schedules power generation from various sources, is considered and its performance is compared with an energy system model having an equivalent reservoir representation. Different skill sets of streamflow forecasts and power demand forecasts are forced on both water and power systems representations for understanding the level of model complexity required for utilizing monthly-to-seasonal climate forecasts to improve coordination between these two systems. The analyses also identify various decision-making strategies - forward purchasing of fuel stocks, scheduled maintenance of various power systems and tradeoff on water appropriation between hydropower and other uses - in the context of various water and power systems configurations. Potential application of such analyses for integrating large power systems with multiple river basins is also discussed.

  5. Relating Water Quality and Age in Drinking Water Distribution Systems Using Self-Organising Maps

    Directory of Open Access Journals (Sweden)

    E.J. Mirjam Blokker

    2016-04-01

    Full Text Available Understanding and managing water quality in drinking water distribution system is essential for public health and wellbeing, but is challenging due to the number and complexity of interacting physical, chemical and biological processes occurring within vast, deteriorating pipe networks. In this paper we explore the application of Self Organising Map techniques to derive such understanding from international data sets, demonstrating how multivariate, non-linear techniques can be used to identify relationships that are not discernible using univariate and/or linear analysis methods for drinking water quality. The paper reports on how various microbial parameters correlated with modelled water ages and were influenced by water temperatures in three drinking water distribution systems.

  6. Hydrostatic Water Level Systems At Homestake DUSEL

    Science.gov (United States)

    Stetler, L. D.; Volk, J. T.

    2009-12-01

    Two arrays of Fermilab-style hydrostatic water level sensors have been installed in the former Homestake gold mine in Lead, SD, the site of the new Deep Underground Science and Engineering Laboratory (DUSEL). Sensors were constructed at Fermilab from 8.5 cm diameter PVC pipe (housing) that was sealed on the ends and fit with a proximity sensor. The instrument have a height of 10 cm. Two ports in each sensor housing provide for connectivity, the upper port for air and the bottom port for water. Multiple instruments connected in series provide a precise water level and differences in readings between successive sensors provide for ground tilt to be resolved. Sensor resolution is 5 μm per count and has a range of approximately 1.25 cm. Data output from each sensor is relayed to a Fermilab-constructed readout card that also has temperature/relative humidity and barometric pressure sensors connected. All data are relayed out of the mine by fiber optic cable and can be recorded by Ethernet at remote locations. The current arrays have been installed on the 2000-ft level (610 m) and consist of six instruments in each array. Three sensors were placed in a N-S oriented drift and three in an E-W oriented drift. Using this orientation, it is anticipated that tilt direction may be resolved in addition to overall tilt magnitude. To date the data show passage of earth tides and frequency analysis has revealed five components to this signal, three associated with the semi-diurnal (~12.4 hr) and two with the diurnal (~24.9 hr) tides. Currently, installation methods are being analyzed between concrete pillar and rib-mounting using the existing setup on the 2000-ft level. Using these results, two additional arrays of Fermilab instruments will be installed on the 4550-ft and 4850-ft levels (1387 and 1478 m, respectively). In addition to Fermilab instruments, several high resolution Budker tiltmeters (1 μm resolution) will be installed in the mine workings in the near future, some

  7. Process integration: Cooling water systems design

    CSIR Research Space (South Africa)

    Gololo, KV

    2010-10-01

    Full Text Available c cold h hot ma moist air min minimum s saturation w water wb wet bulb Nomenclature The 13th Asia Pacific Confederation of APCChE 2010 Chemical Engineering Congress October 5-8, 2010, Taipei � �� References 1. Bernier, M... stream_source_info Gololo2_2010.pdf.txt stream_content_type text/plain stream_size 17891 Content-Encoding UTF-8 stream_name Gololo2_2010.pdf.txt Content-Type text/plain; charset=UTF-8 The 13th Asia Pacific Confederation...

  8. Performance of materials in the component cooling water systems of pressurized water reactors

    International Nuclear Information System (INIS)

    Lee, B.S.

    1993-01-01

    The component cooling water (CCW) system provides cooling water to several important loads throughout the plant under all operating conditions. An aging assessment CCW systems in pressurized water reactors (PWRs) was conducted as part of Nuclear Plant Aging Research Program (NPAR) instituted by the US Nuclear Regulatory Commission. This paper presents some of the results on the performances of materials in respect of their application in CCW Systems. All the CCW system failures reported to the Nuclear Plant Reliability Data System (NPRDS) from January 1988 to June 1990 were reviewed; it is concluded that three of the main contributors to CCW system failures are valves, pumps, and heat exchangers. This study identified the modes and causes of failure for these components; most of the causes for the aging-related failures could be related to the performance of materials. Also, in this paper the materials used for these components are reviewed, and there aging mechanisms under CCW system conditions are discussed

  9. Effect of Different Irrigation Water Regime on Cucumber Yield and Water Use under Sprinkler System

    OpenAIRE

    Adeogun, E. O

    2017-01-01

    A research study was conducted on irrigation research field in National Centre for Agricultural Mechanization, NCAM, Ilorin, Nigeria to determine the effect of different irrigation water regime on cucumber (Cucumis sativus L.) yield, water use efficiency and irrigation water use efficiency. Cucumber grown under field condition using sprinkler irrigation system on an irrigation research field showed good production responses. Yield of cucumber was reasonably appreciable when the crop was admin...

  10. COMPUTER MODELING OF SELECTED WATER QUALITY PARAMETERS IN WATER DISTRIBUTION SYSTEMS

    Directory of Open Access Journals (Sweden)

    Wojciech Kruszyński

    2016-06-01

    Full Text Available The paper presents the results of computer modeling of flowsand the age of the water in two rural communi-ties province Podlasie - Rutka and Jeleniewo. The model is made using Epanet. In the study, a series of variants of models simulating the behavior of existing distribution systems and water analyzes were performed century. Analysis of the age of the water in water works modeled showed areas where standing water is aging, not having the estuary and not giving way to fresh. Age of water in the pipes is an important indicator of its quality and shelf life. The longer standing water in the aqueduct, the more likely that it will develop dangerous bacteria and produce deposits which remain on the walls of the ducts.

  11. Small Drinking Water Systems Communication and Outreach Highlights

    Science.gov (United States)

    As part of our small drinking water systems efforts, this poster highlights several communications and outreach highlights that EPA's Office of Research and Development and Office of Water have been undertaking in collaboration with states and the Association of State Drinking Wa...

  12. Smart optimisation and sensitivity analysis in water distribution systems

    CSIR Research Space (South Africa)

    Page, Philip R

    2015-12-01

    Full Text Available optimisation of a water distribution system by keeping the average pressure unchanged as water demands change, by changing the speed of the pumps. Another application area considered, using the same mathematical notions, is the study of the sensitivity...

  13. Advanced control of a water supply system : A case study

    NARCIS (Netherlands)

    Bakker, M.; Rajewicz, T.; Kien, H.; Vreeburg, J.H.G.; Rietveld, L.C.

    2014-01-01

    Conventional automatic production flow control and pump pressure control of water supply systems are robust and simple: production flow is controlled based on the level in the clear water reservoir and pump pressure is controlled on a static set-point. Recently, more advanced computer-based control

  14. Sand-Filtration System For Improving Water Quality For Rural ...

    African Journals Online (AJOL)

    The performance of a pilot sand filtration plant for a small town water supply was monitored over a seven month period to evaluate the physico-chemical and bacteriological quality of the filtered water from a system installed at Assin Praso in the Central Region of Ghana. The sand filter was effective in reducing turbidity by ...

  15. Conducting Sanitary Surveys of Water Supply Systems. Student Workbook.

    Science.gov (United States)

    1976

    This workbook is utilized in connection with a 40-hour course on sanitary surveys of water supply systems for biologists, chemists, and engineers with experience as a water supply evaluator. Practical training is provided in each of the 21 self-contained modules. Each module outlines the purpose, objectives and content for that section. The course…

  16. Validation Aspects of Water Treatment Systems for Pharmaceutical ...

    African Journals Online (AJOL)

    The goal of conducting validation is to demonstrate that a process, when operated within established limits, produces a product of consistent and specified quality with a high degree of assurance. Validation of water treatment systems is necessary to obtain water with all desired quality attributes. This also provides a ...

  17. Benchmarking leakage from water reticulation systems in South Africa

    African Journals Online (AJOL)

    driniev

    5 (Special edition). 25. Available on website http://www.wrc.org.za. Benchmarking leakage from water reticulation systems in. South Africa. Caryn Seago1*, Jay Bhagwan2 and Ronnie McKenzie1. 1WRP Consulting ... limited and that careful management should be applied when ..... purchase price (or product price) of water.

  18. Development of automated system of heavy water analysis

    International Nuclear Information System (INIS)

    Fedorchenko, O.A.; Novozhilov, V.A.; Trenin, V.D.

    1993-01-01

    Application of traditional methods of qualitative and quantitative control of coolant (moderator) for the analysis of heavy water with high tritium content presents many difficulties and an inevitable accumulation of wastes that many facilities will not accept. This report describes an automated system for heavy water sampling and analysis

  19. Aspects of Water Quality of Freshwater Systems Harbouring Snail ...

    African Journals Online (AJOL)

    A study of some aspects of water quality of freshwater systems harbouring snail vectors of schistosome parasites was conducted in Jos, Nigeria. Calcium ion concentration of the water bodies was a mean value of 31 mg.l-1. The range of temperature was 15 - 30OC. The occurrence of Biomphalaria pferifferi was attributed to ...

  20. A system for tritium analysis in natural water

    International Nuclear Information System (INIS)

    Mozeto, A.A.

    1977-01-01

    A method for the analysis, by scintillation counting, of tritium in natural water enriched electrolytically, is presented. The characteristics of the proposed system are indicated by experimental parameters, and by the performance obtained in the analysis of rain and under ground waters. An evaluation of the precison and reproducibility of the measurements is also made [pt

  1. Water supply system decision making using multicriteria analysis ...

    African Journals Online (AJOL)

    Sound decision-making processes for investments in water supply systems need to be developed. This need arises from the problem observed in developing countries of a growing demand for water supply projects coupled with a lack of financial resources available to invest in them. A second problem is the selection of a ...

  2. Quantum-chemistry based calibration of the alkali metal cation series (Li(+)-Cs(+)) for large-scale polarizable molecular mechanics/dynamics simulations.

    Science.gov (United States)

    Dudev, Todor; Devereux, Mike; Meuwly, Markus; Lim, Carmay; Piquemal, Jean-Philip; Gresh, Nohad

    2015-02-15

    The alkali metal cations in the series Li(+)-Cs(+) act as major partners in a diversity of biological processes and in bioinorganic chemistry. In this article, we present the results of their calibration in the context of the SIBFA polarizable molecular mechanics/dynamics procedure. It relies on quantum-chemistry (QC) energy-decomposition analyses of their monoligated complexes with representative O-, N-, S-, and Se- ligands, performed with the aug-cc-pVTZ(-f) basis set at the Hartree-Fock level. Close agreement with QC is obtained for each individual contribution, even though the calibration involves only a limited set of cation-specific parameters. This agreement is preserved in tests on polyligated complexes with four and six O- ligands, water and formamide, indicating the transferability of the procedure. Preliminary extensions to density functional theory calculations are reported. © 2014 Wiley Periodicals, Inc.

  3. Water-storage-tube systems. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Hemker, P.

    1981-12-24

    Passive solar collection/storage/distribution systems were surveyed, designed, fabricated, and mechanically and thermally tested. The types studied were clear and opaque fiberglass tubes, metal tubes with plastic liners, and thermosyphoning tubes. (MHR)

  4. Teaching Systems Thinking in the Context of the Water Cycle

    Science.gov (United States)

    Lee, Tammy D.; Gail Jones, M.; Chesnutt, Katherine

    2017-06-01

    Complex systems affect every part of our lives from the ecosystems that we inhabit and share with other living organisms to the systems that supply our water (i.e., water cycle). Evaluating events, entities, problems, and systems from multiple perspectives is known as a systems thinking approach. New curriculum standards have made explicit the call for teaching with a systems thinking approach in our science classrooms. However, little is known about how elementary in-service or pre-service teachers understand complex systems especially in terms of systems thinking. This mixed methods study investigated 67 elementary in-service teachers' and 69 pre-service teachers' knowledge of a complex system (e.g., water cycle) and their knowledge of systems thinking. Semi-structured interviews were conducted with a sub-sample of participants. Quantitative and qualitative analyses of content assessment data and questionnaires were conducted. Results from this study showed elementary in-service and pre-service teachers applied different levels of systems thinking from novice to intermediate. Common barriers to complete systems thinking were identified with both in-service and pre-service teachers and included identifying components and processes, recognizing multiple interactions and relationships between subsystems and hidden dimensions, and difficulty understanding the human impact on the water cycle system.

  5. Statistical theory of polarizable target compound impregnation into a polymer coil under the influence of an electric field.

    Science.gov (United States)

    Kolesnikov, A L; Budkov, Yu A; Basharova, E A; Kiselev, M G

    2017-06-21

    The paper presents a theoretical approach for describing the influence of an electric field on the conformation of an electrically neutral dielectric polymer chain dissolved in a dielectric solvent with an admixture of a target compound. Each monomer and each molecule of the target compound carries positive excess polarizability and the solvent is described as a continuous dielectric medium. The model is based on the Flory-type mean-field theory. We demonstrate non-monotonic dependences of the expansion factor and the concentration of the target compound on the strength of the electric field and molecular polarizability. Namely, the target compound concentration in the internal polymer volume as a function of electric field strength has pronounced maxima if the molecules are polarizable. In addition, the expansion factor of the non-polarizable polymer chain can be controlled by the electric field. The dependences of the expansion factor and target compound concentration on the monomer polarizability exhibit minima and intersection points. The intersection points correspond to the equality of dielectric permittivities in the bulk solution and in the internal polymer volume.

  6. Drinking water distribution systems: assessing and reducing risks

    National Research Council Canada - National Science Library

    Committee on Public Water Supply Distribution Systems: Assessing and Reducing Risks; National Research Council; Division on Earth and Life Studies; National Research Council; National Academy of Sciences

    2006-01-01

    ... or well supplies to consumers’ taps. Spanning almost 1 million miles in the United States, distribution systems represent the vast majority of physical infrastructure for water supplies, and thus constitute the primary management...

  7. Valuation of Water and Emissions in Energy Systems

    Science.gov (United States)

    Price incentives and economic penalties (monetization) are common approaches to control water usage and total direct greenhouse gas emissions (externalities) of industrial systems. We argue that homogenous pricing of externalities provides limited flexibility for mitigating envir...

  8. Water Supply Systems For Aircraft Fire And Rescue Protection

    Science.gov (United States)

    1995-01-01

    This Advisory Circular (AC) provides guidance for the selection : of a water source and standards for the design of a distribution system to : support aircraft rescue and fire fighting (ARFF) service operations on : airports.

  9. Drinking Water State Revolving Fund National Information Management System Reports

    Science.gov (United States)

    The Drinking Water State Revolving Fund (DWSRF) National Information Management System collects information that provide a record of progress and accountability for the program at both the State and National level.

  10. Safe drinking water projects integrated information system for rural areas

    Science.gov (United States)

    Song, Xue-ling; Zhao, Ying-bao; Liu, Chao-ying; Song, Zhe-ying

    2009-07-01

    According to the water supply characteristics in rural areas, it designs a safe drinking water project in this paper. The whole system includes three parts. Those are communication part, automatic control and test part and video surveillance part. Communication part mainly realizes the data transfer between PLC controlled equipment, branch pipeline monitoring and control equipment in the water plant. Automatic control and test part adopts hierarchical, distributed, decentralized structure to remote control and dynamic detect the data on-site. Video Surveillance part can monitor the personnel and equipment condition to guarantee the safe of the whole system. The system takes Visual Studio .NET as the development platform and it entirely bases on the public network B/S structure. From the application, it can be seen that the whole system has the characters of using and maintaining easily, interface simple and friend and it can improve the drinking water condition in rural areas greatly.

  11. Zero-Energy Ultrafast Water Nanofiltration System in Microgravity

    Data.gov (United States)

    National Aeronautics and Space Administration — The goal of this program is to develop a water nanofiltration system that functions in microgravity for use during a long-duration human space exploration. The...

  12. Collaborative Project. Mode and Intermediate Waters in Earth System Models

    Energy Technology Data Exchange (ETDEWEB)

    Sarmiento, Jorge L. [Princeton Univ., NJ (United States); Dufour, Carolina [Princeton Univ., NJ (United States); Rodgers, Keith B. [Princeton Univ., NJ (United States)

    2015-12-16

    The focus of this grant was on diagnosing the physical mechanisms controlling upper ocean water mass formation and carbon distribution in Earth System Models (ESMs), with the goal of improving the physics that controls their formation.

  13. The ancient heritage of water ice in the solar system.

    Science.gov (United States)

    Cleeves, L Ilsedore; Bergin, Edwin A; Alexander, Conel M O'D; Du, Fujun; Graninger, Dawn; Öberg, Karin I; Harries, Tim J

    2014-09-26

    Identifying the source of Earth's water is central to understanding the origins of life-fostering environments and to assessing the prevalence of such environments in space. Water throughout the solar system exhibits deuterium-to-hydrogen enrichments, a fossil relic of low-temperature, ion-derived chemistry within either (i) the parent molecular cloud or (ii) the solar nebula protoplanetary disk. Using a comprehensive treatment of disk ionization, we find that ion-driven deuterium pathways are inefficient, which curtails the disk's deuterated water formation and its viability as the sole source for the solar system's water. This finding implies that, if the solar system's formation was typical, abundant interstellar ices are available to all nascent planetary systems. Copyright © 2014, American Association for the Advancement of Science.

  14. Dynamics of controlled release systems based on water-in-water emulsions: A general theory

    NARCIS (Netherlands)

    Sagis, L.M.C.

    2008-01-01

    Phase-separated biopolymer solutions, and aqueous dispersions of hydrogel beads, liposomes, polymersomes, aqueous polymer microcapsules, and colloidosomes are all examples of water-in-water emulsions. These systems can be used for encapsulation and controlled release purposes, in for example food or

  15. Testing the robustness of two water distribution system layouts under changing drinking water demand

    NARCIS (Netherlands)

    Agudelo-Vera, Claudia; Blokker, M; Vreeburg, J; Vogelaar, H.; Hillegers, S; van der Hoek, J.P.

    2016-01-01

    A drinking water distribution system (DWDS) is a critical and a costly asset with a long lifetime. Drinking water demand is likely to change in the coming decades. Quantifying these changes involves large uncertainties. This paper proposes a stress test on the robustness of existing DWDS under

  16. Drinking Water Microbiome as a Screening Tool for Nitrification in Chloraminated Drinking Water Distribution Systems (abstract)

    Science.gov (United States)

    Many water utilities in the US using chloramine as disinfectant treatment in their distribution systems have experienced nitrification episodes, which detrimentally impact the water quality. Here, we used 16S rRNA sequencing data to generate high-resolution taxonomic profiles of...

  17. Research on water management system based on Android

    Science.gov (United States)

    Li, Dongjiang; Hu, Songlin

    2018-04-01

    With the rapid development of Smart city, Smart water is an important part of Smart city, which is paid more and more attention. It obtains and deals with urban water information through information technology. It can effectively manage urban water supply, The sale of water and other processes. At the same time, due to the popularity of Smartphones, Smartphone applications have covered every aspect of life and become an indispensable part of people's daily life. Through the Smartphone applications, the user can achieve online mobile water purchase, query the water situation, water quality and other basic situation, greatly facilitate the use of the user, for wisdom water construction is of great significance. In this paper, the water management system based on Android is designed and implemented according to the user's needs. It includes intelligent water meter terminal, monitoring center server, Smartphone application and wireless communication network. The user can use the Smartphone at any time and at any place to view the user's water information in real time providing great convenience for users. So its application prospect is very broad as an important part of smart city.

  18. Water System Adaptation to Hydrological Changes: Module 1, Introduction to Water System Adaptation

    Science.gov (United States)

    Contemporary water management requires resilience, the ability to meet ever increasing water needs, and capacity to adapt to abrupt or transient changes in water quality and availability. For this purpose, effective adaptation to extreme hydrological events (e.g. intense storms, ...

  19. Model-based Extracted Water Desalination System for Carbon Sequestration

    Energy Technology Data Exchange (ETDEWEB)

    Gettings, Rachel; Dees, Elizabeth

    2017-03-23

    The focus of this research effort centered around water recovery from high Total Dissolved Solids (TDS) extracted waters (180,000 mg/L) using a combination of water recovery (partial desalination) technologies. The research goals of this project were as follows: 1. Define the scope and test location for pilot-scale implementation of the desalination system, 2.Define a scalable, multi-stage extracted water desalination system that yields clean water, concentrated brine, and, salt from saline brines, and 3. Validate overall system performance with field-sourced water using GE pre-pilot lab facilities. Conventional falling film-mechanical vapor recompression (FF-MVR) technology was established as a baseline desalination process. A quality function deployment (QFD) method was used to compare alternate high TDS desalination technologies to the base case FF-MVR technology, including but not limited to: membrane distillation (MD), forward osmosis (FO), and high pressure reverse osmosis (HPRO). Technoeconomic analysis of high pressure reverse osmosis (HPRO) was performed comparing the following two cases: 1. a hybrid seawater RO (SWRO) plus HPRO system and 2. 2x standard seawater RO system, to achieve the same total pure water recovery rate. Pre-pilot-scale tests were conducted using field production water to validate key process steps for extracted water pretreatment. Approximately 5,000 gallons of field produced water was processed through, microfiltration, ultrafiltration, and steam regenerable sorbent operations. Improvements in membrane materials of construction were considered as necessary next steps to achieving further improvement in element performance at high pressure. Several modifications showed promising results in their ability to withstand close to 5,000 PSI without gross failure.

  20. Intelligent Temperature Controller for Water-Bath System

    OpenAIRE

    Om Prakash Verma; Rajesh Singla; Rajesh Kumar

    2013-01-01

    Conventional controller’s usually required a prior knowledge of mathematical modelling of the process. The inaccuracy of mathematical modelling degrades the performance of the process, especially for non-linear and complex control problem. The process used is Water-Bath system, which is most widely used and nonlinear to some extent. For Water-Bath system, it is necessary to attain desired temperature within a specified period of time to avoid the overshoot and absolute error, with better temp...