WorldWideScience

Sample records for single-ion activity coefficients

  1. On the calculation of single ion activity coefficients in homogeneous ionic systems by application of the grand canonical ensemble

    DEFF Research Database (Denmark)

    Sloth, Peter

    1993-01-01

    The grand canonical ensemble has been used to study the evaluation of single ion activity coefficients in homogeneous ionic fluids. In this work, the Coulombic interactions are truncated according to the minimum image approximation, and the ions are assumed to be placed in a structureless...... of the individual ionic activity coefficients with respect to the total ionic concentration. This formula has previously been proposed on the basis of somewhat different considerations....

  2. Imaging large cohorts of single ion channels and their activity

    Directory of Open Access Journals (Sweden)

    Katia eHiersemenzel

    2013-09-01

    Full Text Available As calcium is the most important signaling molecule in neurons and secretory cells, amongst many other cell types, it follows that an understanding of calcium channels and their regulation of exocytosis is of vital importance. Calcium imaging using calcium dyes such as Fluo3, or FRET-based dyes that have been used widely has provided invaluable information, which combined with modeling has estimated the sub-types of channels responsible for triggering the exocytotic machinery as well as inferences about the relative distances away from vesicle fusion sites these molecules adopt. Importantly, new super-resolution microscopy techniques, combined with novel Ca2+ indicators and imaginative imaging approaches can now define directly the nanoscale locations of very large cohorts of single channel molecules in relation to single vesicles. With combinations of these techniques the activity of individual channels can be visualized and quantified using novel Ca2+ indicators. Fluorescently labeled specific channel toxins can also be used to localize endogenous assembled channel tetramers. Fluorescence lifetime imaging microscopy and other single-photon-resolution spectroscopic approaches offer the possibility to quantify protein-protein interactions between populations of channels and the SNARE protein machinery for the first time. Together with simultaneous electrophysiology, this battery of quantitative imaging techniques has the potential to provide unprecedented detail describing the locations, dynamic behaviours, interactions and conductance activities of many thousands of channel molecules and vesicles in living cells.

  3. Single ion dynamics in molten sodium bromide

    Energy Technology Data Exchange (ETDEWEB)

    Alcaraz, O.; Trullas, J. [Departament de Física i Enginyeria Nuclear, Universitat Politècnica de Catalunya, 08034 Barcelona (Spain); Demmel, F. [ISIS Facility, Rutherford Appleton Laboratory, Didcot OX11 0QX (United Kingdom)

    2014-12-28

    We present a study on the single ion dynamics in the molten alkali halide NaBr. Quasielastic neutron scattering was employed to extract the self-diffusion coefficient of the sodium ions at three temperatures. Molecular dynamics simulations using rigid and polarizable ion models have been performed in parallel to extract the sodium and bromide single dynamics and ionic conductivities. Two methods have been employed to derive the ion diffusion, calculating the mean squared displacements and the velocity autocorrelation functions, as well as analysing the increase of the line widths of the self-dynamic structure factors. The sodium diffusion coefficients show a remarkable good agreement between experiment and simulation utilising the polarisable potential.

  4. Single ion counting with a MCP (microchannel plate) detector

    Energy Technology Data Exchange (ETDEWEB)

    Tawara, Hiroko; Sasaki, Shinichi; Miyajima, Mitsuhiro [National Lab. for High Energy Physics, Tsukuba, Ibaraki (Japan); Shibamura, Eido

    1996-07-01

    In this study, a single-ion-counting method using alpha-particle-impact ionization of Ar atoms is demonstrated and the preliminary {epsilon}{sub mcp} for Ar ions with incident energies of 3 to 4.7 keV is determined. The single-ion counting by the MCP is aimed to be performed under experimental conditions as follows: (1) A signal from the MCP is reasonably identified as incidence of single Ar-ion. (2) The counting rate of Ar ions is less than 1 s{sup -1}. (3) The incident Ar ions are not focused on a small part of an active area of the MCP, namely, {epsilon}{sub mcp} is determined with respect to the whole active area of the MCP. So far, any absolute detection efficiency has not been reported under these conditions. (J.P.N.)

  5. Comparison of activity coefficient models for electrolyte systems

    DEFF Research Database (Denmark)

    Lin, Yi; ten Kate, Antoon; Mooijer, Miranda

    2010-01-01

    Three activity coefficient models for electrolyte solutions were evaluated and compared. The activity coefficient models are: The electrolyte NRTL model (ElecNRTL) by Aspentech, the mixed solvent electrolyte model (MSE) by OLI Systems Inc., and the Extended UNIQUAC model from the Technical Univer...

  6. Activity coefficients from molecular simulations using the OPAS method

    Science.gov (United States)

    Kohns, Maximilian; Horsch, Martin; Hasse, Hans

    2017-10-01

    A method for determining activity coefficients by molecular dynamics simulations is presented. It is an extension of the OPAS (osmotic pressure for the activity of the solvent) method in previous work for studying the solvent activity in electrolyte solutions. That method is extended here to study activities of all components in mixtures of molecular species. As an example, activity coefficients in liquid mixtures of water and methanol are calculated for 298.15 K and 323.15 K at 1 bar using molecular models from the literature. These dense and strongly interacting mixtures pose a significant challenge to existing methods for determining activity coefficients by molecular simulation. It is shown that the new method yields accurate results for the activity coefficients which are in agreement with results obtained with a thermodynamic integration technique. As the partial molar volumes are needed in the proposed method, the molar excess volume of the system water + methanol is also investigated.

  7. Frictional coefficient depending on active friction radius with BPV ...

    African Journals Online (AJOL)

    The comparison of estimated frictional coefficient from numerical output is in agreement with vis-à-vis corresponding similar computed from the virtual braking system model in the Simulink. The results indicated that highest frictional coefficient of 0.7 was obtained on the piston side of the rotor disc and active friction radius is ...

  8. Distributing Correlation Coefficients of Linear Structure-Activity/Property Models

    Directory of Open Access Journals (Sweden)

    Sorana D. BOLBOACA

    2011-12-01

    Full Text Available Quantitative structure-activity/property relationships are mathematical relationships linking chemical structure and activity/property in a quantitative manner. These in silico approaches are frequently used to reduce animal testing and risk-assessment, as well as to increase time- and cost-effectiveness in characterization and identification of active compounds. The aim of our study was to investigate the pattern of correlation coefficients distribution associated to simple linear relationships linking the compounds structure with their activities. A set of the most common ordnance compounds found at naval facilities with a limited data set with a range of toxicities on aquatic ecosystem and a set of seven properties was studied. Statistically significant models were selected and investigated. The probability density function of the correlation coefficients was investigated using a series of possible continuous distribution laws. Almost 48% of the correlation coefficients proved fit Beta distribution, 40% fit Generalized Pareto distribution, and 12% fit Pert distribution.

  9. Pair configurations to molecular activity coefficients : PAC-MAC

    NARCIS (Netherlands)

    Sweere, A.J.M.

    2017-01-01

    This thesis provides an overview of the development of the Pair Configuration to Molecular Activity Coefficient (PAC-MAC) model. PAC-MAC is a computational method to predict thermodynamic miscibility properties of various molecular solutions. Examples of calculated thermodynamic miscibility

  10. Photodynamic membrane damage at the level of single ion channels.

    Science.gov (United States)

    Kunz, L; Stark, G

    1997-07-05

    Illumination of cellular membranes by visible light in the presence of appropriate photosensitizers is known to inactivate specific ionic pathways and to increase the unspecific leak conductance of the membranes. While previous studies have concentrated on the macroscopic ionic currents, the present study separates the two phenomena at the microscopic level. Using opossum kidney (OK) cells as epithelial model system and photofrin II as sensitizer, the patch-clamp technique in inside-out configuration has been applied to show the inactivation of single ion channels immediately after start of illumination and the subsequent strong increase of the leak conductance. Inactivation is shown for two kinds of channels: the large-conductance Ca2+-dependent K+ channel (maxi-K(Ca)) and the stretch-activated nonselective cation channel (SA-cat).

  11. Osmotic and activity coefficients of triorganophosphates in n-octane

    International Nuclear Information System (INIS)

    Sagert, N.H.; Lau, D.W.P.

    1982-01-01

    Vapour pressure osmometry was used to measure osmotic coefficients for tributylphosphate (TBP), tricresylphosphate (TCP), and triethylhexylphosphate (THEP) in n-octane at 30, 40, 50, and 60 0 C and at molalities up to 0.3 mol/kg. Activity coefficients and excess thermodynamic properties (unsymmetrical definition) were calculated from these osmotic coefficients. At 30 0 C, the excess Gibbs free energies for 0.1 mol of solute in 1.0 kg n-octane were -42 J, -66 J, and -20 J for TBP, TCP, and TEHP, respectively. The more ideal behavior of the TEHP-octane system is attributed to the increasing importance of hydrocarbon-hydrocarbon interactions as the chain length is increased. The excess enthalpies for 0.1 mol of solute in 1.0 kg of solvent were -100 J, and -300 J, and -150 J for TBP, TCP, and TEHP, respectively. Thus, association of these solutes arises primarily from entropic effects. Our data could generally be accommodated adequately by postulating association of monomers into dimmers. The exception was TCP at lower temperatures, where more complex models were required

  12. Single-ion nonlinear mechanical oscillator

    International Nuclear Information System (INIS)

    Akerman, N.; Kotler, S.; Glickman, Y.; Dallal, Y.; Keselman, A.; Ozeri, R.

    2010-01-01

    We study the steady-state motion of a single trapped ion oscillator driven to the nonlinear regime. Damping is achieved via Doppler laser cooling. The ion motion is found to be well described by the Duffing oscillator model with an additional nonlinear damping term. We demonstrate here the unique ability of tuning both the linear as well as the nonlinear damping coefficients by controlling the laser-cooling parameters. Our observations pave the way for the investigation of nonlinear dynamics on the quantum-to-classical interface as well as mechanical noise squeezing in laser-cooling dynamics.

  13. Single Ion Trapping for the Enriched Xenon Observatory

    Energy Technology Data Exchange (ETDEWEB)

    Waldman, Samuel J.; /Stanford U., Phys. Dept. /SLAC

    2006-03-28

    In the last decade, a variety of neutrino oscillation experiments have established that there is a mass difference between neutrino flavors, without determining the absolute neutrino mass scale. The Enriched Xenon Observatory for neutrinoless double beta decay (EXO) will search for the rare decays of xenon to determine the absolute value of the neutrino mass. The experiment uses a novel technique to minimize backgrounds, identifying the decay daughter product in real time using single ion spectroscopy. Here, we describe single ion trapping and spectroscopy compatible with the EXO detector. We extend the technique of single ion trapping in ultrahigh vacuum to trapping in xenon gas. With this technique, EXO will achieve a neutrino mass sensitivity of {approx_equal} .010 eV.

  14. Electrochemical measurements of diffusion coefficients and activity coefficients for MnCl2 in molten eutectic LiCl-KCl

    Science.gov (United States)

    Horvath, D.; Rappleye, D.; Bagri, P.; Simpson, M. F.

    2017-09-01

    An electrochemical study of manganese chloride in molten salt mixtures of eutectic LiCl-KCl was carried out using a variety of electrochemical methods in a high temperature cell including cyclic voltammetry (CV), chronopotentiometry (CP), chronoamperometry (CA), and open circuit potentiometry. Single step reduction from Mn2+ to Mn(0) was observed on both W and Mo working electrodes. Using a combination of these methods, measurements were made of activity coefficient and diffusion coefficient for MnCl2 in LiCl-KCl as a function of concentration (3.54 × 10-4 to 3.60 × 10-3 mol fraction of MnCl2) at 773K. From OCP measurements, values for activity coefficient varied from 0.014 to 0.0071. Diffusion coefficients varied with concentration and differed based on measurement method (CV, CA, or CP). Based on cyclic Mn(II) ranged from 1.1 to 2.8 × 10-5 cm2/s depending on concentration.

  15. Subattoampere current induced by single ions in silicon oxide layers of nonvolatile memory cells

    International Nuclear Information System (INIS)

    Cellere, G.; Paccagnella, A.; Larcher, L.; Visconti, A.; Bonanomi, M.

    2006-01-01

    A single ion impinging on a thin silicon dioxide layer generates a number of electron/hole pairs proportional to its linear energy transfer coefficient. Defects generated by recombination can act as a conductive path for electrons that cross the oxide barrier, thanks to a multitrap-assisted mechanism. We present data on the dependence of this phenomenon on the oxide thickness by using floating gate memory arrays. The tiny number of excess electrons stored in these devices allows for extremely high sensitivity, impossible with any direct measurement of oxide leakage current. Results are of particular interest for next generation devices

  16. Estimation of saturation activities for activation experiments in CHARM and CSBF using Fluence Conversion Coefficients

    CERN Document Server

    Guerin, Helene Chloe; Iliopoulou, Elpida; CERN. Geneva. HSE Department

    2017-01-01

    As summer student at CERN, I have been working in the Radiation Protection group for 10 weeks. I worked with the \\textsc{Fluka} Monte Carlo simulation code, using Fluence Conversion Coefficients method to perform simulations to estimate the saturation activities for activation experiments in the \\textsc{CSBF} and the \\textsc{Charm} facility in the East Experimental Area. The provided results will be used to plan a Monte Carlo benchmark in the \\textsc{CSBF} during a beam period at the end of August 2017.

  17. Thermodynamic modeling of activity coefficient and prediction of solubility: Part 1. Predictive models.

    Science.gov (United States)

    Mirmehrabi, Mahmoud; Rohani, Sohrab; Perry, Luisa

    2006-04-01

    A new activity coefficient model was developed from excess Gibbs free energy in the form G(ex) = cA(a) x(1)(b)...x(n)(b). The constants of the proposed model were considered to be function of solute and solvent dielectric constants, Hildebrand solubility parameters and specific volumes of solute and solvent molecules. The proposed model obeys the Gibbs-Duhem condition for activity coefficient models. To generalize the model and make it as a purely predictive model without any adjustable parameters, its constants were found using the experimental activity coefficient and physical properties of 20 vapor-liquid systems. The predictive capability of the proposed model was tested by calculating the activity coefficients of 41 binary vapor-liquid equilibrium systems and showed good agreement with the experimental data in comparison with two other predictive models, the UNIFAC and Hildebrand models. The only data used for the prediction of activity coefficients, were dielectric constants, Hildebrand solubility parameters, and specific volumes of the solute and solvent molecules. Furthermore, the proposed model was used to predict the activity coefficient of an organic compound, stearic acid, whose physical properties were available in methanol and 2-butanone. The predicted activity coefficient along with the thermal properties of the stearic acid were used to calculate the solubility of stearic acid in these two solvents and resulted in a better agreement with the experimental data compared to the UNIFAC and Hildebrand predictive models.

  18. Toward Molecular 4f Single-Ion Magnet Qubits.

    Science.gov (United States)

    Pedersen, Kasper S; Ariciu, Ana-Maria; McAdams, Simon; Weihe, Høgni; Bendix, Jesper; Tuna, Floriana; Piligkos, Stergios

    2016-05-11

    Quantum coherence is detected in the 4f single-ion magnet (SIM) Yb(trensal), by isotope selective pulsed EPR spectroscopy on an oriented single crystal. At X-band, the spin-lattice relaxation (T1) and phase memory (Tm) times are found to be independent of the nuclei bearing, or not, a nuclear spin. The observation of Rabi oscillations of the spin echo demonstrates the possibility to coherently manipulate the system for more than 70 rotations. This renders Yb(trensal), a sublimable and chemically modifiable SIM, an excellent candidate for quantum information processing.

  19. Rational Design of Lanthanoid Single-Ion Magnets: Predictive Power of the Theoretical Models.

    Science.gov (United States)

    Baldoví, José J; Duan, Yan; Morales, Roser; Gaita-Ariño, Alejandro; Ruiz, Eliseo; Coronado, Eugenio

    2016-09-12

    We report two new single-ion magnets (SIMs) of a family of oxydiacetate lanthanide complexes with D3 symmetry to test the predictive capabilities of complete active space ab initio methods (CASSCF and CASPT2) and the semiempirical radial effective charge (REC) model. Comparison of the theoretical predictions of the energy levels, wave functions and magnetic properties with detailed spectroscopic and magnetic characterisation is used to critically discuss the limitations of these theoretical approaches. The need for spectroscopic information for a reliable description of the properties of lanthanide SIMs is emphasised. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. Enriching lanthanide single-ion magnetism through symmetry and axiality.

    Science.gov (United States)

    Gupta, Sandeep K; Murugavel, Ramaswamy

    2018-04-10

    Rapidly growing modern information technology demands energy and cost efficient tools that can efficiently store and process a large amount of data. However, the miniaturization technology that was being used to boost the performance of the electronic devices, keeping up with the pace as estimated by Moore's law, is reaching its limit. To overcome these challenges, several alternative routes that can eventually mimic the modern electronics fabrication using silicon have been proposed. Single molecule magnets (SMMs), being considered as one of the potential alternatives, have gone through significant progress and the focus has shifted from the use of polynuclear clusters to mononuclear complexes in the last few years. The recent frenzy in the field of SMMs is driven by a better understanding of the effects of crystal field (CF) and molecular symmetry on the magnetic properties, especially in the case of mononuclear paramagnetic complexes, apart from other controlling factors. This has led to the advent of highly anisotropic single-ion magnets (SIMs) with magnetic blocking temperatures as high as 60 K and anisotropic energy barriers over 1800 K. This article overviews our recent research in the light of the emergence of the importance of CF and symmetry in 4f ion based single-ion magnets (SIMs), especially in the context of SIMs with D5h symmetry, apart from commenting on the synthetic efforts adopted to place these metal ions in unusual coordination geometries.

  1. Surface noise analysis using a single-ion sensor

    Science.gov (United States)

    Daniilidis, N.; Gerber, S.; Bolloten, G.; Ramm, M.; Ransford, A.; Ulin-Avila, E.; Talukdar, I.; Häffner, H.

    2014-06-01

    We use a single-ion electric-field noise sensor in combination with in situ surface treatment and analysis tools, to investigate the relationship between electric-field noise from metal surfaces in vacuum and the composition of the surface. These experiments are performed in a setup that integrates ion trapping capabilities with surface analysis tools. We find that treatment of an aluminum-copper surface with energetic argon ions significantly reduces the level of room-temperature electric-field noise, but the surface does not need to be atomically clean to show noise levels comparable to those of the best cryogenic traps. The noise levels after treatment are low enough to allow fault-tolerant trapped-ion quantum information processing on a microfabricated surface trap at room temperature.

  2. Automated parallel recordings of topologically identified single ion channels.

    Science.gov (United States)

    Kawano, Ryuji; Tsuji, Yutaro; Sato, Koji; Osaki, Toshihisa; Kamiya, Koki; Hirano, Minako; Ide, Toru; Miki, Norihisa; Takeuchi, Shoji

    2013-01-01

    Although ion channels are attractive targets for drug discovery, the systematic screening of ion channel-targeted drugs remains challenging. To facilitate automated single ion-channel recordings for the analysis of drug interactions with the intra- and extracellular domain, we have developed a parallel recording methodology using artificial cell membranes. The use of stable lipid bilayer formation in droplet chamber arrays facilitated automated, parallel, single-channel recording from reconstituted native and mutated ion channels. Using this system, several types of ion channels, including mutated forms, were characterised by determining the protein orientation. In addition, we provide evidence that both intra- and extracellular amyloid-beta fragments directly inhibit the channel open probability of the hBK channel. This automated methodology provides a high-throughput drug screening system for the targeting of ion channels and a data-intensive analysis technique for studying ion channel gating mechanisms.

  3. Activity coefficients of uranyl nitrate and nitric acid in aqueous mixtures

    Energy Technology Data Exchange (ETDEWEB)

    Ochkin, A.; Gladilov, D.; Nekhaevskiy, S.; Merkushkin, A. [D. Mendeleev University of Chemical Technology of Russia, 9 Miusskay Sqr., Moscow, 125047 (Russian Federation)

    2016-07-01

    The activity coefficients of nitric acid and uranyl nitrate in aqueous mixtures are necessary to model the extracting system H{sub 2}O-HNO{sub 3}-UO{sub 2}(NO{sub 3}){sub 2}-TBP-diluent used in the PUREX process. Three methods have been compared in this work to determine activity coefficients based on experimental data, Pitzer's equation or Zdanovskiy's rule. Acid activities have been calculated from the data of the two first methods. These results were compared with the data of the third method. Errors were about 3.3%. Activity coefficients of uranyl nitrate γ{sub U} as a function of concentration of uranyl nitrate and nitric acid were determined in 76 mixed solutions. The equation to calculate γ{sub U} is proposed. (authors)

  4. The possibility of determining the activity coefficients of individual ions from acid-base titration data

    Science.gov (United States)

    Jano, I.; Hardcastle, J. E.

    1998-07-01

    A method is described for obtaining the activity coefficients of individual ions from experimental titration data. For this purpose, a general polyprotic acid-base-titration-curve equation is derived. The equation allows obtaining the dissociation equilibrium constants of the acid and the ratio of the activity coefficient of each ion to the activity coefficient of the undissociated acid directly from the titration data. Results obtained are compared with coefficients calculated using Debye-Hückel equation. A general equation relating the ionic strength to the pH of the titration medium is also established. Une méthode pour l'obtention des coefficients d'activité des ions individuels à partir des données expérimentales de titrage est établie. À ce but, une équation générale est dérivée pour représenter la courbe de titrage d'un acide avec une base. Cette équation permet d'obtenir les constants d'équilibre de dissociation de l'acide et le rapport de coefficient d'activité de chaque ion au coefficient d'activité de l'acide non-dissocié à partir des données de titrage. Les résultats ainsi obtenus sont comparés avec les coefficients calculés à l'aide de l'équation de Debye-Hückel. Une équation liant la force ionique au pH du milieu est établie aussi.

  5. A review of Barker's activity coefficient method and VLE data reduction

    International Nuclear Information System (INIS)

    Islam, Akand W.; Rahman, Md. Hafizur

    2012-01-01

    Highlights: → This is a review article on Barker's activity coefficient method. → Various aspects of VLE data reduction have been surveyed. → Several algorithms applied in data reduction process have been discussed. → Excess Gibbs free energy models frequently used also have been studied. - Abstract: The method of Barker is a popular scheme for determination of activity coefficients from total pressure measurements. A comprehensive review of this method is presented in this study. While discussing this technique various aspects of (vapor + liquid) equilibrium (VLE) data reduction process including types of algorithms applied, roles of saturated vapor pressures and equilibrium vapor compositions data, and types of objective functions used are analyzed. Activity coefficient or liquid state models frequently used in VLE data reduction are shown and their comparisons are investigated. More so, advantages and limitations of Barker's method are demonstrated.

  6. Simultaneous Description of Activity Coefficients and Solubility with eCPA

    DEFF Research Database (Denmark)

    Schlaikjer, Anders; Thomsen, Kaj; Kontogeorgis, Georgios

    2017-01-01

    In the many developments of electrolyte equations of state presented over the past decades, several different properties have been in focus. A property that has not been widely used as a fitting property is salt solubility. This work presents a new parametrization of the eCPA equation of state...... with salt specific parameters. The focus is on accurate description of the salt solubility, and low deviation correlations are obtained for all salts investigated. The inclusion of the solubility data in the parametrization has, compared to parameters only parametrized to osmotic coefficients and activity...... molality. The model is, furthermore, compared to the activity coefficient model, Extended UNIQUAC. It is shown that the eCPA provides more accurate solubility description at higher temperatures than Extended UNIQUAC but also that Extended UNIQUAC is slightly better at describing the activity coefficients...

  7. Simultaneous Description of Activity Coefficients and Solubility with eCPA

    DEFF Research Database (Denmark)

    Schlaikjer, Anders; Thomsen, Kaj; Kontogeorgis, Georgios

    2017-01-01

    with salt specific parameters. The focus is on accurate description of the salt solubility, and low deviation correlations are obtained for all salts investigated. The inclusion of the solubility data in the parametrization has, compared to parameters only parametrized to osmotic coefficients and activity......In the many developments of electrolyte equations of state presented over the past decades, several different properties have been in focus. A property that has not been widely used as a fitting property is salt solubility. This work presents a new parametrization of the eCPA equation of state...... molality. The model is, furthermore, compared to the activity coefficient model, Extended UNIQUAC. It is shown that the eCPA provides more accurate solubility description at higher temperatures than Extended UNIQUAC but also that Extended UNIQUAC is slightly better at describing the activity coefficients...

  8. Design of a single ion facility and its applications

    Energy Technology Data Exchange (ETDEWEB)

    Cholewa, M.; Saint, A.; Legge, G.J.F. [Melbourne Univ., Parkville, VIC (Australia). School of Physics

    1996-12-31

    The use of micro-irradiation techniques in radiobiology is not new; however, the current techniques take advantage of recent developments in particle delivery, focussing detection, image processing, cell recognition and computer control. These developments have generally come from other fields, for example microbeam elemental analysis techniques and single-event upset testing of semiconductor devices. Also in radiation biology there have been important advances in developments of individual cell assays, which allow a wide range of endpoints to be studied with good accuracy at low doses. Many of the studies that are planned involve following the responses of individual cells after a programmed exposure to charged-particle traversals. To probe the radiation sensitivity of a single cell and/or its constituents with a submicron resolution several developments are needed. The essential parameters of the proposed system can be summarised as follows: a focussed beam of ions of 300nm or less at the cell; a reliable (close to 100%) single ion detection; a fast beam switch to prevent second hits; a target holder adapted for the irradiation of wet cells and a fully automated system for cell recognition and single hits. 1 fig.

  9. Conduction Mechanisms and Structure of Ionomeric Single-Ion Conductors

    Energy Technology Data Exchange (ETDEWEB)

    Colby, Ralph H. [Pennsylvania State Univ., University Park, PA (United States); Maranas, Janna K. [Pennsylvania State Univ., University Park, PA (United States); Mueller, Karl T. [Pennsylvania State Univ., University Park, PA (United States); Runt, James [Pennsylvania State Univ., University Park, PA (United States); Winey, Karen I. [Univ. of Pennsylvania, Philadelphia, PA (United States)

    2015-03-01

    Our team has designed using DFT (Gaussian) and synthesized low glass transition temperature single-ion conductors that are either polyanions that conduct small cations Li+, Na+, Cs+ or polycations that conduct small anions F-, OH-, Br-. We utilize a wide range of complimentary experimental materials characterization tools to understand ion transport; differential scanning calorimetry, dielectric relaxation spectroscopy, infrared spectroscopy, nuclear magnetic resonance spectroscopy, linear viscoelasticity, X-ray scattering and molecular dynamics simulations. The glass transition temperature Tg needs to be as low as possible to facilitate ion transport, so the nonionic parts of the polymer need to be polar, flexible and have strong solvation interactions with the ions. The lowest Tg we have managed for polyanions conducting Li+ is -60 °C. In contrast, polysiloxanes with PEO side chains and tetrabutylphosphonium cationic side groups have Tg ≈ -75 °C that barely increases with ion content, as anticipated by DFT. A survey of all polyanions in the literature suggests that Tg < -80 °C is needed to achieve the 10-4 S/cm conductivity needed for battery separators.

  10. Determination of the activity coefficient of neodymium in liquid aluminium by potentiometric methods

    Energy Technology Data Exchange (ETDEWEB)

    De Cordoba, G. [HLW/DFN/DE, CIEMAT, Avda. Complutense 22, Madrid 28040 (Spain)], E-mail: g.cordoba@ciemat.es; Laplace, A.; Conocar, O.; Lacquement, J. [DEN/DRCP/SCPS/LPP, CEA, Site de Marcoule. Bat. 399, BP 17171, 30207 Bagnols sur Ceze (France); Caravaca, C. [HLW/DFN/DE, CIEMAT, Avda. Complutense 22, Madrid 28040 (Spain)

    2008-12-30

    The activity coefficient of neodymium in liquid aluminium phase has been determined potentiometrically in the temperature range of 973-1073 K. To the author's knowledge, no data on this parameter has been published yet. Three different electrochemical methods have been tested: the cyclic voltammetry technique, the coulometric additions method and the direct use of an Al-Nd alloy. In addition, an experimental set-up has been designed which allows working with small amounts of solvent (30 g). The molten eutectic mixture CaCl{sub 2}-NaCl (52-48 mol%) has been selected as the electrolyte. From the results obtained, the variation of the activity coefficient of Nd in Al(l) as a function of the temperature can be expressed as follows: log {gamma}{sub Nd(Al)} = 9.81 - 17134/T(K), in the range 973-1073 K. It has been found a good agreement between the activity coefficient values obtained from the different methods tested. Hence, it can be stated that either of the techniques used allows determining reliable values for the activity coefficient.

  11. Measurement of activity coefficients of mixtures by head-space gas chromatography: general procedure.

    Science.gov (United States)

    Luis, Patricia; Wouters, Christine; Van der Bruggen, Bart; Sandler, Stanley I

    2013-08-09

    Head-space gas chromatography (HS-GC) is an applicable method to perform vapor-liquid equilibrium measurements and determine activity coefficients. However, the reproducibility of the data may be conditioned by the experimental procedure concerning to the automated pressure-balanced system. The study developed in this work shows that a minimum volume of liquid in the vial is necessary to ensure the reliability of the activity coefficients since it may become a parameter that influences the magnitude of the peak areas: the helium introduced during the pressurization step may produce significant variations of the results when too small volume of liquid is selected. The minimum volume required should thus be evaluated prior to obtain experimentally the concentration in the vapor phase and the activity coefficients. In this work, the mixture acetonitrile-toluene is taken as example, requiring a sample volume of more than 5mL (about more than 25% of the vial volume). The vapor-liquid equilibrium and activity coefficients of mixtures at different concentrations (0.1, 0.2, 0.3, 0.4, 0.5, 0.6, 0.7, 0.8, 0.9 molar fraction) and four temperatures (35, 45, 55 and 70°C) have been determined. Relative standard deviations (RSD) lower than 5% have been obtained, indicating the good reproducibility of the method when a sample volume larger than 5mL is used. Finally, a general procedure to measure activity coefficients by means of pressure-balanced head-space gas chromatography is proposed. Copyright © 2013 Elsevier B.V. All rights reserved.

  12. Explicit consideration of spatial hydrogen bonding direction for activity coefficient prediction based on implicit solvation calculations.

    Science.gov (United States)

    Chen, Wei-Lin; Lin, Shiang-Tai

    2017-08-09

    The activity coefficient of a chemical in a mixture is important in understanding the thermodynamic properties and non-ideality of the mixture. The COSMO-SAC model based on the result of quantum mechanical implicit solvation calculations has been shown to provide reliable predictions of activity coefficients for mixed fluids. However, it is found that the prediction accuracy is in general inferior for associating fluids. Existing methods for describing the hydrogen-bonding interaction consider the strength of the interaction based only on the polarity of the screening charges, neglecting the fact that the formation of hydrogen bonds requires a specific orientation between the donor and acceptor pairs. In this work, we propose a new approach that takes into account the spatial orientational constraints in hydrogen bonds. Based on the Valence Shell Electron Pair Repulsion (VSEPR) theory, the molecular surfaces associated with the formation of hydrogen bonds are limited to those in the projection of the lone pair electrons of hydrogen bond acceptors, in addition to the polarity of the surface screening charges. Our results show that this new directional hydrogen bond approach, denoted as the COSMO-SAC(DHB) model, requires fewer universal parameters and is significantly more accurate and reliable compared to previous models for a variety of properties, including vapor-liquid equilibria (VLE), infinite dilution activity coefficient (IDAC) and water-octanol partition coefficient (K ow ).

  13. Comparison of activity coefficient models for atmospheric aerosols containing mixtures of electrolytes, organics, and water

    Science.gov (United States)

    Tong, Chinghang; Clegg, Simon L.; Seinfeld, John H.

    Atmospheric aerosols generally comprise a mixture of electrolytes, organic compounds, and water. Determining the gas-particle distribution of volatile compounds, including water, requires equilibrium or mass transfer calculations, at the heart of which are models for the activity coefficients of the particle-phase components. We evaluate here the performance of four recent activity coefficient models developed for electrolyte/organic/water mixtures typical of atmospheric aerosols. Two of the models, the CSB model [Clegg, S.L., Seinfeld, J.H., Brimblecombe, P., 2001. Thermodynamic modelling of aqueous aerosols containing electrolytes and dissolved organic compounds. Journal of Aerosol Science 32, 713-738] and the aerosol diameter dependent equilibrium model (ADDEM) [Topping, D.O., McFiggans, G.B., Coe, H., 2005. A curved multi-component aerosol hygroscopicity model framework: part 2—including organic compounds. Atmospheric Chemistry and Physics 5, 1223-1242] treat ion-water and organic-water interactions but do not include ion-organic interactions; these can be referred to as "decoupled" models. The other two models, reparameterized Ming and Russell model 2005 [Raatikainen, T., Laaksonen, A., 2005. Application of several activity coefficient models to water-organic-electrolyte aerosols of atmospheric interest. Atmospheric Chemistry and Physics 5, 2475-2495] and X-UNIFAC.3 [Erdakos, G.B., Change, E.I., Pandow, J.F., Seinfeld, J.H., 2006. Prediction of activity coefficients in liquid aerosol particles containing organic compounds, dissolved inorganic salts, and water—Part 3: Organic compounds, water, and ionic constituents by consideration of short-, mid-, and long-range effects using X-UNIFAC.3. Atmospheric Environment 40, 6437-6452], include ion-organic interactions; these are referred to as "coupled" models. We address the question—Does the inclusion of a treatment of ion-organic interactions substantially improve the performance of the coupled models over

  14. Remote sensing image segmentation using active contours based on intercorrelation of nonsubsampled contourlet coefficients

    Science.gov (United States)

    Fang, Lingling; Wang, Xianghai; Sun, Yang; Xu, Kainan

    2016-11-01

    Considering that remote sensing images contain rich scale-dependent information and geographical detailed information, segmentation process must be carried out under the multiscale case. The vector-valued C-V active contour model is an effective image segmentation method, but the model cannot segment the nonhomogeneous remote sensing images well. The image processing methods based on nonsubsampled contourlet transform (NSCT) can fully use the detailed information of remote sensing images. The interscale distribution characteristics of NSCT coefficients at finer scale is first analyzed and then a statistical model of signal singularities combining the coefficient correlation between intrascale and interscale is proposed. Based on the above, the vector-valued C-V active contour model is then applied to the statistical characteristics for segmenting images. Consequently, the proposed method can preserve detailed information of images and other desirable properties of active contour model. Numerical examples indicate that the proposed method is very competitive with several state-of-the-art techniques.

  15. Accelerating activity coefficient calculations using multicore platforms, and profiling the energy use resulting from such calculations.

    Science.gov (United States)

    Topping, David; Alibay, Irfan; Bane, Michael

    2017-04-01

    To predict the evolving concentration, chemical composition and ability of aerosol particles to act as cloud droplets, we rely on numerical modeling. Mechanistic models attempt to account for the movement of compounds between the gaseous and condensed phases at a molecular level. This 'bottom up' approach is designed to increase our fundamental understanding. However, such models rely on predicting the properties of molecules and subsequent mixtures. For partitioning between the gaseous and condensed phases this includes: saturation vapour pressures; Henrys law coefficients; activity coefficients; diffusion coefficients and reaction rates. Current gas phase chemical mechanisms predict the existence of potentially millions of individual species. Within a dynamic ensemble model, this can often be used as justification for neglecting computationally expensive process descriptions. Indeed, on whether we can quantify the true sensitivity to uncertainties in molecular properties, even at the single aerosol particle level it has been impossible to embed fully coupled representations of process level knowledge with all possible compounds, typically relying on heavily parameterised descriptions. Relying on emerging numerical frameworks, and designed for the changing landscape of high-performance computing (HPC), in this study we focus specifically on the ability to capture activity coefficients in liquid solutions using the UNIFAC method. Activity coefficients are often neglected with the largely untested hypothesis that they are simply too computationally expensive to include in dynamic frameworks. We present results demonstrating increased computational efficiency for a range of typical scenarios, including a profiling of the energy use resulting from reliance on such computations. As the landscape of HPC changes, the latter aspect is important to consider in future applications.

  16. Designing Artificial Solid-Electrolyte Interphases for Single-Ion and High-Efficiency Transport in Batteries

    KAUST Repository

    Tu, Zhengyuan

    2017-09-21

    Substrates able to rectify transport of ions based on charge and/or size are ubiquitous in biological systems. Electrolytes and interphases that selectively transport electrochemically active ions are likewise of broad interest in all electrical energy storage technologies. In lithium-ion batteries, electrolytes with single- or near-single-ion conductivity reduce losses caused by ion polarization. In emergent lithium or sodium metal batteries, they maintain high conductivity at the anode and stabilize metal deposition by fundamental mechanisms. We report that 20- to 300-nm-thick, single-ion-conducting membranes deposited at the anode enable electrolytes with the highest combination of cation transference number, ionic conductivity, and electrochemical stability reported. By means of direct visualization we find that single-ion membranes also reduce dendritic deposition of Li in liquids. Galvanostatic measurements further show that the electrolytes facilitate long (3 mAh) recharge of full Li/LiNi0.8Co0.15Al0.05O2 (NCA) cells with high cathode loadings (3 mAh cm−2/19.9 mg cm−2) and at high current densities (3 mA cm−2).

  17. UNIQUAC activity coefficient model for the systems of 1-propanol + water and 2-propanol + water

    Directory of Open Access Journals (Sweden)

    Numuang, C.

    2005-12-01

    Full Text Available Predictions of vapor liquid equilibria and azeotrope conditions of binary systems of 1-propanol+ water and 2-propanol+water at 30, 60, and 100 kPa were conducted in this work. UNIQUAC activity coefficient and ideal gas models represented behavior of the systems in liquid phase and vapor phase respectively. Experimental data collected from the literature (Gobaldon et al., 1996 and Marzal et al., 1996 were used to calculate energy interaction parameters of the UNIQUAC activity coefficient model by non-linear regression method. The obtained parameters were not dependent on temperature and mole fraction; however, those parameters were dependent on pressure of the system. The mean absolute error of vapor mole fraction of alcohol and water were in the range 3.86-4.65% and 2.33-3.28% respectively for the binary system of 1-propanol +water. The mean absolute error of vapor mole fraction of alcohol and water were in the range 1.93-2.06% and 1.47-1.94% respectively for the binary system of 2-propanol+water. The thermodynamics consistency test proved that the UNIQUAC activity coefficient model was satisfied very well with Gibbs- Duhem equation.

  18. Modeling Secondary Organic Aerosols over Europe: Impact of Activity Coefficients and Viscosity

    Science.gov (United States)

    Kim, Y.; Sartelet, K.; Couvidat, F.

    2014-12-01

    Semi-volatile organic species (SVOC) can condense on suspended particulate materials (PM) in the atmosphere. The modeling of condensation/evaporation of SVOC often assumes that gas-phase and particle-phase concentrations are at equilibrium. However, recent studies show that secondary organic aerosols (SOA) may not be accurately represented by an equilibrium approach between the gas and particle phases, because organic aerosols in the particle phase may be very viscous. The condensation in the viscous liquid phase is limited by the diffusion from the surface of PM to its core. Using a surrogate approach to represent SVOC, depending on the user's choice, the secondary organic aerosol processor (SOAP) may assume equilibrium or model dynamically the condensation/evaporation between the gas and particle phases to take into account the viscosity of organic aerosols. The model is implemented in the three-dimensional chemistry-transport model of POLYPHEMUS. In SOAP, activity coefficients for organic mixtures can be computed using UNIFAC for short-range interactions between molecules and AIOMFAC to also take into account the effect of inorganic species on activity coefficients. Simulations over Europe are performed and POLYPHEMUS/SOAP is compared to POLYPHEMUS/H2O, which was previously used to model SOA using the equilibrium approach with activity coefficients from UNIFAC. Impacts of the dynamic approach on modeling SOA over Europe are evaluated. The concentrations of SOA using the dynamic approach are compared with those using the equilibrium approach. The increase of computational cost is also evaluated.

  19. Negative Correlation between the Diffusion Coefficient and Transcriptional Activity of the Glucocorticoid Receptor.

    Science.gov (United States)

    Mikuni, Shintaro; Yamamoto, Johtaro; Horio, Takashi; Kinjo, Masataka

    2017-08-25

    The glucocorticoid receptor (GR) is a transcription factor, which interacts with DNA and other cofactors to regulate gene transcription. Binding to other partners in the cell nucleus alters the diffusion properties of GR. Raster image correlation spectroscopy (RICS) was applied to quantitatively characterize the diffusion properties of EGFP labeled human GR (EGFP-hGR) and its mutants in the cell nucleus. RICS is an image correlation technique that evaluates the spatial distribution of the diffusion coefficient as a diffusion map. Interestingly, we observed that the averaged diffusion coefficient of EGFP-hGR strongly and negatively correlated with its transcriptional activities in comparison to that of EGFP-hGR wild type and mutants with various transcriptional activities. This result suggests that the decreasing of the diffusion coefficient of hGR was reflected in the high-affinity binding to DNA. Moreover, the hyper-phosphorylation of hGR can enhance the transcriptional activity by reduction of the interaction between the hGR and the nuclear corepressors.

  20. Improved AIOMFAC model parameterisation of the temperature dependence of activity coefficients for aqueous organic mixtures

    Science.gov (United States)

    Ganbavale, G.; Zuend, A.; Marcolli, C.; Peter, T.

    2015-01-01

    This study presents a new, improved parameterisation of the temperature dependence of activity coefficients in the AIOMFAC (Aerosol Inorganic-Organic Mixtures Functional groups Activity Coefficients) model applicable for aqueous as well as water-free organic solutions. For electrolyte-free organic and organic-water mixtures the AIOMFAC model uses a group-contribution approach based on UNIFAC (UNIversal quasi-chemical Functional-group Activity Coefficients). This group-contribution approach explicitly accounts for interactions among organic functional groups and between organic functional groups and water. The previous AIOMFAC version uses a simple parameterisation of the temperature dependence of activity coefficients, aimed to be applicable in the temperature range from ~ 275 to ~ 400 K. With the goal to improve the description of a wide variety of organic compounds found in atmospheric aerosols, we extend the AIOMFAC parameterisation for the functional groups carboxyl, hydroxyl, ketone, aldehyde, ether, ester, alkyl, aromatic carbon-alcohol, and aromatic hydrocarbon to atmospherically relevant low temperatures. To this end we introduce a new parameterisation for the temperature dependence. The improved temperature dependence parameterisation is derived from classical thermodynamic theory by describing effects from changes in molar enthalpy and heat capacity of a multi-component system. Thermodynamic equilibrium data of aqueous organic and water-free organic mixtures from the literature are carefully assessed and complemented with new measurements to establish a comprehensive database, covering a wide temperature range (~ 190 to ~ 440 K) for many of the functional group combinations considered. Different experimental data types and their processing for the estimation of AIOMFAC model parameters are discussed. The new AIOMFAC parameterisation for the temperature dependence of activity coefficients from low to high temperatures shows an overall improvement of 28% in

  1. The error analysis of the determination of the activity coefficients via the isopiestic method

    International Nuclear Information System (INIS)

    Zhou Jun; Chen Qiyuan; Fang Zheng; Liang Yizeng; Liu Shijun; Zhou Yong

    2005-01-01

    Error analysis is very important to experimental designs. The error analysis of the determination of activity coefficients for a binary system via the isopiestic method shows that the error sources include not only the experimental errors of the analyzed molalities and the measured osmotic coefficients, but also the deviation of the regressed values from the experimental data when the regression function is used. It also shows that the accurate chemical analysis of the molality of the test solution is important, and it is preferable to keep the error of the measured osmotic coefficients changeless in all isopiestic experiments including those experiments on the very dilute solutions. The isopiestic experiments on the dilute solutions are very important, and the lowest molality should be low enough so that a theoretical method can be used below the lowest molality. And it is necessary that the isopiestic experiment should be done on the test solutions of lower than 0.1 mol . kg -1 . For most electrolytes solutions, it is usually preferable to require the lowest molality to be less than 0.05 mol . kg -1 . Moreover, the experimental molalities of the test solutions should be firstly arranged by keeping the interval of the logarithms of the molalities nearly constant, and secondly more number of high molalities should be arranged, and we propose to arrange the experimental molalities greater than 1 mol . kg -1 according to some kind of the arithmetical progression of the intervals of the molalities. After experiments, the error of the calculated activity coefficients of the solutes could be calculated from the actually values of the errors of the measured isopiestic molalities and the deviations of the regressed values from the experimental values with our obtained equations

  2. Assessing the reliability of predictive activity coefficient models for molecules consisting of several functional groups

    Directory of Open Access Journals (Sweden)

    R. P. Gerber

    2013-03-01

    Full Text Available Currently, the most successful predictive models for activity coefficients are those based on functional groups such as UNIFAC. In contrast, these models require a large amount of experimental data for the determination of their parameter matrix. A more recent alternative is the models based on COSMO, for which only a small set of universal parameters must be calibrated. In this work, a recalibrated COSMO-SAC model was compared with the UNIFAC (Do model employing experimental infinite dilution activity coefficient data for 2236 non-hydrogen-bonding binary mixtures at different temperatures. As expected, UNIFAC (Do presented better overall performance, with a mean absolute error of 0.12 ln-units against 0.22 for our COSMO-SAC implementation. However, in cases involving molecules with several functional groups or when functional groups appear in an unusual way, the deviation for UNIFAC was 0.44 as opposed to 0.20 for COSMO-SAC. These results show that COSMO-SAC provides more reliable predictions for multi-functional or more complex molecules, reaffirming its future prospects.

  3. The statistical and practical significance and "effect size" coefficients for the evaluation of physical activity

    Directory of Open Access Journals (Sweden)

    Dagmar Sigmundová

    2012-01-01

    Full Text Available BACKGROUND: An adequate statistical analysis of obtained data is a necessary condition for the right interpretation of results followed by correct formulation of conclusions. The use of appropriate statistical procedures is repeatedly a subject of justified criticism and recommendations in our and other international publications. For example, during the interpretation of results we often "blindly" rely on the statistical significance, and the practical significance of the research is ignored. OBJECTIVE: The main aim of this study is to highlight the formulation of the practical significance of the results and its correct interpretation. We used an analysis of the international studies and own findings from physical activity monitoring. Another aim is to introduce an applicable effect size coefficient as a guide for assessing the practical significance. METHODS: Materials for formulating rules to assess the practical significance and introduction of effect size coefficients was comprised of the 29 international and Czech studies about the level of week and short time (PE lesson, training, exercise lesson physical activity of Czech children and adolescents (1,129 girls and 938 boys, and adults (5,727 females and 5,426 males with use of accelerometers, pedometers and IPAQ questionnaires during 2000-2010. RESULTS: Rules for assessing the practical significance consider measurement error, data variability and the size of position from the beginning on the measurement scale. The formulation of the practical significance should include - a a determination of the minimal values of certain measurement unit that will be limiting for assessing the significancy of the difference; b the determination of a minimal size of mutual relationship between the expected results and findings. The presentation of the "effect size" coefficients (d, r, r2, K2, ω2 comprises of their definition, the conditions for use as well as the calculation and interpretation of

  4. Experimental Identification of Dynamic Coefficients of Tilting-Pad Bearings with Active Lubrication

    DEFF Research Database (Denmark)

    Salazar, Jorge Andrés González; Cerda Varela, Alejandro Javier; Santos, Ilmar

    This article presents the experimental identification of the equivalent dynamic coefficients of an activelylubricated bearing under different lubrication regimes, namely: passive (no injection flow), hybrid (constant injection flow) and feedback-controlled (variable injection flow) lubrication....... The main goal is to provide an overview on the feasibility of modifying its dynamic properties via active lubrication. The pressurized oil injection flow, which enables the hybrid and the feedback-controlled lubrication regimes, is regulated by a hydraulic control system composed of a) a high pressure oil...... bearing featuring active lubrication under light load conditions, is used for such a goal. The experimental identification is performed in the frequency domain by means of the measured FRFs and a finite element model of the rotor. The comparison between results under the different lubrication regimes...

  5. Application of several activity coefficient models to water-organic-electrolyte aerosols of atmospheric interest

    Directory of Open Access Journals (Sweden)

    T. Raatikainen

    2005-01-01

    Full Text Available In this work, existing and modified activity coefficient models are examined in order to assess their capabilities to describe the properties of aqueous solution droplets relevant in the atmosphere. Five different water-organic-electrolyte activity coefficient models were first selected from the literature. Only one of these models included organics and electrolytes which are common in atmospheric aerosol particles. In the other models, organic species were solvents such as alcohols, and important atmospheric ions like NH4+ could be missing. The predictions of these models were compared to experimental activity and solubility data in aqueous single electrolyte solutions with 31 different electrolytes. Based on the deviations from experimental data and on the capabilities of the models, four predictive models were selected for fitting of new parameters for binary and ternary solutions of common atmospheric electrolytes and organics. New electrolytes (H+, NH4+, Na+, Cl-, NO3- and SO42- and organics (dicarboxylic and some hydroxy acids were added and some modifications were made to the models if it was found useful. All new and most of the existing parameters were fitted to experimental single electrolyte data as well as data for aqueous organics and aqueous organic-electrolyte solutions. Unfortunately, there are very few data available for organic activities in binary solutions and for organic and electrolyte activities in aqueous organic-electrolyte solutions. This reduces model capabilities in predicting solubilities. After the parameters were fitted, deviations from measurement data were calculated for all fitted models, and for different data types. These deviations and the calculated property values were compared with those from other non-electrolyte and organic-electrolyte models found in the literature. Finally, hygroscopic growth factors were calculated for four 100 nm organic-electrolyte particles and these predictions were compared to

  6. Study of the influence of surfactants on the activity coefficients and mass transfer coefficients of methanol in aqueous mixtures by reversed-flow gas chromatography.

    Science.gov (United States)

    Kotsalos, Efthimios; Brezovska, Boryana; Sevastos, Dimitrios; Vagena, Artemis; Koliadima, Athanasia; Kapolos, John; Karaiskakis, George

    2017-11-17

    This work focuses on the influences of surfactants on the activity coefficients, γ, of methanol in binary mixtures with water, as well as on the mass transfer coefficients, k c , for the evaporation of methanol, which is a ubiquitous component in the troposphere, from mixtures of methanol with water at various surfactant's and methanol's concentrations. The technique used is the Reversed-Flow Gas Chromatography (R.F.G.C.), a version of Inverse Gas Chromatography, which allows determining both parameters by performing only one experiment for the k c parameter and two experiments for the γ parameter. The k c and γ values decrease in the presence of the three surfactants used (CTAB, SDS, TRITON X-100) at all methanol's and surfactant's concentrations. The decrease in the methanol's molar fraction, at constant number of surfactant films leads to a decrease in the k c and γ values, while the decrease in the surfactant's concentration, at constant methanol's molar fraction leads to an increase in both the k c and γ parameters. Mass transfer coefficients for the evaporation of methanol at the surfactant films, are also calculated which are approximately between 4 and 5 orders of magnitude larger than the corresponding mass transfer coefficients at the liquid films. Finally, thicknesses of the boundary layer of methanol in the mixtures of methanol with water were determined. The quantities found are compared with those given in the literature or calculated theoretically using various empirical equations. The precision of the R.F.G.C. method for measuring γ and k c parameters is approximately high (94.3-98.0%), showing that R.F.G.C. can be used with success not only for the thermodynamic study of solutions, but also for the interphase transport. Copyright © 2017 Elsevier B.V. All rights reserved.

  7. UNIQUAC activity coefficient model and modified Redlich- Kwong EOS for the vapor liquid equilibrium systems of carbon dioxide-water

    Directory of Open Access Journals (Sweden)

    Nurak Grisdanurak

    2004-11-01

    Full Text Available The UNIQUAC activity coefficient model and fugacity coefficient model of modified Redlich-Kwong predicted vapor-liquid equilibrium between carbon dioxide and water efficiently. The activity coefficient model needed the energy interaction parameters between molecules of carbon dioxide and water. Those parameters can be obtained by non-linear regression method of the experimental data of the vapor-liquid equilibria of carbon dioxide and water (Lide, 1992. The fugacity coefficient model of modified Redlich- Kwong needed only some physical properties of carbon dioxide and water without any interaction parameters. The experimental data had ranges of temperature and partial pressure of carbon dioxide between 10 to 100ºC and 5 to 1,200 kPa, respectively. The parameters for the activity coefficient model are temperature dependent but are not concentration dependent. The regression results gave good agreements with the experimental data in which the mean absolute error (MAE between experiment and calculated partial pressure of carbon dioxide was 2.72% and the mean absolute standard deviation (MAD of that error was 1.35%. Comparing the effects of activity coefficients and fugacity coefficients, we found that the non-ideality in vapor phase was more influential than the non-ideality in liquid phase.

  8. Prediction of vapor–liquid and liquid–liquid equilibria for polymer systems: Comparison of activity coefficient models

    OpenAIRE

    Costa, Glória Meyberg Nunes; Dias, T.; Cardoso, Manuela Pedra; Guerrieri, Y.; Pessoa, F. L. P.; Melo, Silvio Alexandre Beisl Vieira de; Embiruçu, Marcelo

    2008-01-01

    Acesso restrito: Texto completo. p. 140-149 A large number of equations of state and activity coefficient models capable of describing phase equilibria in polymer solutions are available today, but only a few of these models have been applied to different systems. It is therefore useful to investigate the performance of existing thermodynamic models for complex polymer solutions which have not yet been widely studied. The present work studies the application of several activity coeffici...

  9. Comparison of apparent diffusion coefficient in spondylarthritis axial active inflammatory lesions and type 1 modic changes

    Energy Technology Data Exchange (ETDEWEB)

    Dallaudière, Benjamin, E-mail: benjamin.dallaudiere@gmail.com [Hôpital Bichat – Claude Bernard, Service de Radiologie, 46, rue Henri Huchard, Paris 75018 (France); Hôpital Bichat – Claude Bernard, Inserm U698, 46, rue Henri Huchard, Paris 75018 (France); Université Paris Diderot, Paris (France); Dautry, Raphaël, E-mail: raphael_dautry@yahoo.fr [Hôpital Bichat – Claude Bernard, Service de Radiologie, 46, rue Henri Huchard, Paris 75018 (France); Université Paris Diderot, Paris (France); Preux, Pierre-Marie, E-mail: pierre-marie.preux@unilim.fr [Faculté de Médecine de Limoges, Unité fonctionelle de recherche clinique et de biostatistique, hôpital Le Cluzeau, 23, avenue Dominique Larrey, 87042 Limges Cedex (France); Perozziello, Anne, E-mail: aperozziello@gmail.com [Université Paris Diderot, Paris (France); Hôpital Bichat – Claude Bernard, Unité de recherche clinique, 46, rue Henri Huchard, Paris 75018 (France); Lincot, Julien, E-mail: julienlincot@gmail.com [Hôpital Bichat – Claude Bernard, Service de Radiologie, 46, rue Henri Huchard, Paris 75018 (France); Schouman-Claeys, Elisabeth, E-mail: elisabeth.schouman-claeys@bch.aphp.fr [Hôpital Bichat – Claude Bernard, Service de Radiologie, 46, rue Henri Huchard, Paris 75018 (France); Université Paris Diderot, Paris (France); and others

    2014-02-15

    Objective: The goal of this study was to evaluate whether the values of ADC in spondylarthritis axial active inflammatory lesions are different from ADC values in type 1 Modic changes. Subjects and methods: 95 patients with recent lumbar pain, including 46 patients with diagnosed or suspected spondylarthritis and 49 patients with purely degenerative history, underwent spine MRI. T1w, STIR, and diffusion-weighted images (DWI) were obtained. Two musculoskeletal radiologists interpreted the images. Axial active inflammatory lesions from the SpA group and type 1 Modic changes from the degenerative group were identified on T1w and STIR sequences. ADC values from these lesions and from healthy subchondral bone were compared. Results: All axial active inflammatory lesions (n = 27) and type 1 Modic changes (n = 22) identified in T1w and STIR images were visible on DWI. ADC values were significantly higher (p < 0.05) for axial active inflammatory lesions (median = 0.788 × 10{sup −3} mm{sup 2}/s, IQR 25–75 [0.7 × 10{sup −3} mm{sup 2}/s; 0.9 × 10{sup −3} mm{sup 2}/s]) than for type 1 Modic changes (median = 0.585 × 10{sup −3} mm{sup 2}/s, IQR 25–75 [0.55 × 10{sup −3} mm{sup 2}/s; 0.60 × 10{sup −3} mm{sup 2}/s]) and normal subchondral bone (median = 0.443 × 10{sup −3} mm{sup 2}/s, IQR 25–75 [0.40 × 10{sup −3} mm{sup 2}/s; 0.50 × 10{sup −3} mm{sup 2}/s]). Intra-class correlation coefficients for intra- and inter-reader ADC values comparison were excellent (0.89 and 0.98 respectively). Conclusion: DWI is a sensitive and fast sequence that offer the possibility of quantifying diffusion coefficients of the lesions, which could help to discriminate between spondylarthritis axial active inflammatory and type 1 Modic changes.

  10. Adjustment of activity coefficients as a function of changes in temperature, using the SIT

    International Nuclear Information System (INIS)

    Giffaut, E.; Vitorge, P.; Capdevila, H.

    1993-11-01

    The aim of this work is to propose and to check approximations to calculate from only a few experimental measurements, ionic strength, I, and temperature, T, influences on Gibbs energy, G, redox formal potential, E, and standard equilibrium constant, K. Series expansions versus T are first used: S and Cp/2T a are typically the -G first and second order terms. In the same way, -ΔH and T 2 ΔCp/2 are the first and second order terms of R in K expansions versus 1/T. This type of approximation is discussed for the E of the M 4+ /M 3+ , MO 2 2+ /MO 2 + and MO 2 (CO 3 ) 3 4- /MO 2 (CO 3 ) 3 5- couples (M = U or Pu) measured from 5 to 70 deg C, for the standard ΔG of some solid U compounds, calculated from 17 to 117 deg C, and for ΔCp, ΔG and Ig K of the CO 2 (aq)/HCO 3 - equilibrium from 0 to 150 deg C. Excess functions, X ex , are then calculated from activity coefficients, γ: enthalpy, H, or heat capacity, Cp, adjustment as a function of I changes is needed only when the γ adjustment as a function of T changes is needed. The SIT coefficient, ε, variations with T, are small and roughly linear for the above redox equilibria and for chloride electrolytes mean γ: first order expansion seems enough to deduce ε, and then the excess functions G ex , S ex and H ex , in this T range; but second order expansion is more consistent to estimate Cp ex . (authors). 25 refs., 3 tabs., 1 fig

  11. Exchange interaction of strongly anisotropic tripodal erbium single-ion magnets with metallic surfaces

    DEFF Research Database (Denmark)

    Dreiser, Jan; Wäckerlin, Christian; Ali, Md. Ehesan

    2014-01-01

    We present a comprehensive study of Er(trensal) single-ion magnets deposited in ultrahigh vacuum onto metallic surfaces. X-ray photoelectron spectroscopy reveals that the molecular structure is preserved after sublimation, and that the molecules are physisorbed on Au(111) while they are chemisorbed....... Furthermore XMCD indicates a weak antiferromagnetic exchange coupling between the single-ion magnets and the ferromagnetic Ni/Cu(100) substrate. For the latter case, spin-Hamiltonian fits to the XMCD M(H) suggest a significant structural distortion of the molecules. Scanning tunneling microscopy reveals...

  12. Activity coefficients and free energies of nonionic mixed surfactant solutions from vapor-pressure and freezing-point osmometry.

    Science.gov (United States)

    MacNeil, Jennifer A; Ray, Gargi Basu; Leaist, Derek G

    2011-05-19

    The thermodynamic properties of mixed surfactant solutions are widely investigated, prompted by numerous practical applications of these systems and by interest in molecular association and self-organization. General techniques for measuring thermodynamic activities, such as isopiestic equilibration, are well-established for multicomponent solutions. Surprisingly, these techniques have not yet been applied to mixed surfactant solutions, despite the importance of the free energy for micelle stability. In this study, equations are developed for the osmotic coefficients of solutions of nonionic surfactant A + nonionic surfactant B. A mass-action model is used, with virial equations for the activity coefficients of the micelles and free surfactant monomer species. The equations are fitted to osmotic coefficients of aqueous decylsulfobetaine + dodecylsulfobetaine solutions measured by vapor-pressure and freezing-point osmometry. Equilibrium constants for mixed-micelle formation are calculated from the free monomer concentrations at the critical micelle concentrations. The derived activity coefficients of the micelles and free monomers indicate large departures from ideal solution behavior, even for dilute solutions of the surfactants. Stoichiometric activity coefficients of the total surfactant components are evaluated by Gibbs-Duhem integration of the osmotic coefficients. Relatively simple colligative property measurements hold considerable promise for free energy studies of multicomponent surfactant solutions. © 2011 American Chemical Society

  13. Methodology for using prompt gamma activation analysis to measure the binary diffusion coefficient of a gas in a porous medium

    International Nuclear Information System (INIS)

    Rios Perez, Carlos A.; Biegalski, Steve R.; Deinert, Mark R.

    2012-01-01

    Highlights: ► Prompt gamma activation analysis is used to study gas diffusion in a porous system. ► Diffusion coefficients are determined using prompt gamma activation analysis. ► Predictions concentrations fit experimental measurements with an R 2 of 0.98. - Abstract: Diffusion plays a critical role in determining the rate at which gases migrate through porous systems. Accurate estimates of diffusion coefficients are essential if gas transport is to be accurately modeled and better techniques are needed that can be used to measure these coefficients non-invasively. Here we present a novel method for using prompt gamma activation analysis to determine the binary diffusion coefficients of a gas in a porous system. Argon diffusion experiments were conducted in a 1 m long, 10 cm diameter, horizontal column packed with a SiO 2 sand. The temporal variation of argon concentration within the system was measured using prompt gamma activation analysis. The binary diffusion coefficient was obtained by comparing the experimental data with the predictions from a numerical model in which the diffusion coefficient was varied until the sum of square errors between experiment and model data was minimized. Predictions of argon concentration using the optimal diffusivity fit experimental measurements with an R 2 of 0.983.

  14. Influences of the chemical structure of entrainers on the activity coefficients in presence of biodiesel

    International Nuclear Information System (INIS)

    Mäder, A; Fleischmann, A; Fang, Ye; Krahl, J; Ruck, W

    2012-01-01

    In this work we analyzed the strength of the intermolecular forces between biodiesel and the entrainer and their influence on the entrainer's ability to interact with biodiesel. Furthermore we investigated the influence of the chemical structure of an entrainer to the interaction with biodiesel. For this purpose the activity coefficients γ ∞ at infinite dilution of acids, aldehydes, ketones and alcohols in biodiesel were measured with the method of headspace gas chromatography (HSGC). Short-chained acids showed the highest interaction of the analyzed entrainers caused by their ability to build hydrogen bonds with biodiesel. Increased chain length of the acids cause reduced interaction with biodiesel, which is mainly due to the higher obstruction of the acid molecule and therefore the reduced ability to build hydrogen bonds with biodiesel. Aldehydes, ketones and alcohols showed lower interaction with biodiesel compared to the acids. Longer-chained alcohols showed increased interaction with biodiesel due to the raised London Forces and an inductive +I effect of the molecule chain.

  15. A simple and rapid method for high-resolution visualization of single-ion tracks

    Directory of Open Access Journals (Sweden)

    Masaaki Omichi

    2014-11-01

    Full Text Available Prompt determination of spatial points of single-ion tracks plays a key role in high-energy particle induced-cancer therapy and gene/plant mutations. In this study, a simple method for the high-resolution visualization of single-ion tracks without etching was developed through the use of polyacrylic acid (PAA-N, N’-methylene bisacrylamide (MBAAm blend films. One of the steps of the proposed method includes exposure of the irradiated films to water vapor for several minutes. Water vapor was found to promote the cross-linking reaction of PAA and MBAAm to form a bulky cross-linked structure; the ion-track scars were detectable at a nanometer scale by atomic force microscopy. This study demonstrated that each scar is easily distinguishable, and the amount of generated radicals of the ion tracks can be estimated by measuring the height of the scars, even in highly dense ion tracks. This method is suitable for the visualization of the penumbra region in a single-ion track with a high spatial resolution of 50 nm, which is sufficiently small to confirm that a single ion hits a cell nucleus with a size ranging between 5 and 20 μm.

  16. Potential of electric quadrupole transitions in radium isotopes for single-ion optical frequency standards

    NARCIS (Netherlands)

    Versolato, O. O.; Wansbeek, L. W.; Jungmann, K.; Timmermans, R. G. E.; Willmann, L.; Wilschut, H. W.

    2011-01-01

    We explore the potential of the electric quadrupole transitions 7s (2)S(1/2)-(6)d (2)D(3/2), 6d (2)D(5/2) in radium isotopes as single-ion optical frequency standards. The frequency shifts of the clock transitions due to external fields and the corresponding uncertainties are calculated. Several

  17. Anisotropic Lithium Ion Conductivity in Single-Ion Diblock Copolymer Electrolyte Thin Films

    NARCIS (Netherlands)

    Aissou, Karim; Mumtaz, Muhammad; Usluer, Özlem; Pécastaings, Gilles; Portale, Giuseppe; Fleury, Guillaume; Cloutet, Eric; Hadziioannou, Georges

    Well-defined single-ion diblock copolymers consisting of a Li-ion conductive poly(styrenesulfonyllithium(trifluoromethylsulfonyl)imide) (PSLiTFSI) block associated with a glassy polystyrene (PS) block have been synthesized via reversible addition fragmentation chain transfer polymerization.

  18. Comparison of diffusion coefficients and activation energies for AG diffusion in silicon carbide

    International Nuclear Information System (INIS)

    Kim, Bong Goo; Yeo, Sung Hwan; Lee, Young Woo; Cho, Moon Sung

    2015-01-01

    The migration of silver (Ag) in silicon carbide (SiC) and 110mAg through SiC of irradiated tri-structural isotropic (TRISO) fuel has been studied for the past three to four decades. However, there is no satisfactory explanation for the transport mechanism of Ag in SiC. In this work, the diffusion coefficients of Ag measured and/or estimated in previous studies were reviewed, and then pre-exponential factors and activation energies from the previous experiments were evaluated using Arrhenius equation. The activation energy is 247.4 kJ·mol -1 from Ag paste experiments between two SiC layers produced using fluidized-bed chemical vapor deposition (FBCVD), 125.3 kJ·mol -1 from integral release experiments (annealing of irradiated TRISO fuel), 121.8 kJ·mol -1 from fractional Ag release during irradiation of TRISO fuel in high flux reactor (HFR), and 274.8 kJ·mol -1 from Ag ion implantation experiments, respectively. The activation energy from ion implantation experiments is greater than that from Ag paste, fractional release and integral release, and the activation energy from Ag paste experiments is approximately two times greater than that from integral release experiments and fractional Ag release during the irradiation of TRISO fuel in HFR. The pre-exponential factors are also very different depending on the experimental methods and estimation. From a comparison of the pre-exponential factors and activation energies, it can be analogized that the diffusion mechanism of Ag using ion implantation experiment is different from other experiments, such as a Ag paste experiment, integral release experiments, and heating experiments after irradiating TRISO fuel in HFR. However, the results of this work do not support the long held assumption that Ag release from FBCVD-SiC, used for the coating layer in TRISO fuel, is dominated by grain boundary diffusion. In order to understand in detail the transport mechanism of Ag through the coating layer, FBCVD-SiC in TRISO fuel, a

  19. Magnetic anisotropy of a Co-II single ion magnet with distorted trigonal prismatic coordination

    DEFF Research Database (Denmark)

    Peng, Yan; Bodenstein, Tilmann; Fink, Karin

    2016-01-01

    (methanylylidene)) bis(2-methoxyphenol) coordinates to Co(II) does indeed lead to enhanced single-ion behaviour as has previously been predicted. Synthesis of the compound, structural information, and static as well as dynamic magnetic data are presented along with an analysis using quantum chemical ab initio......The single ion magnetic properties of Co(II) are affected by the details of the coordination geometry of the ion. Here we show that a geometry close to trigonal prismatic which arises when the ligand 6,6'-((1Z)-((piperazine-1,4-diylbis(propane-3,1-diyl)) bis(azanylylidene)) bis...... calculations. Though the complex shows a slight deviation from an ideal trigonal prismatic coordination, the zero-field splitting as well as the g-tensor are strongly axial with D = -41 cm(-1) and E

  20. Development of a keV single-ion-implanter for nanofabrication

    International Nuclear Information System (INIS)

    Yang, C.; Jamieson, D.N.; Hopf, T.; Tamanyan, G.; Spizziri, P.; Pakes, C.; Andresen, S.E.; Hudson, F.; Gauja, E.; Dzurak, A.; Clark, R.G.

    2005-01-01

    Traditional methods of doping semiconductors have a difficulty meeting the demand for high precision doping due to large statistical fluctuations in the numbers of dopant atoms introduced in the ever shrinking volume in micro- and nano-electronics devices, especially when the fabrication process approaches the nanometre scale. The statistical fluctuations in doping semiconductors for the fabrication of devices with a very small feature size may lead to inconsistent and unreliable performance. This paper describes the adaptation of a commercial ion implanter into a single-ion-implantation system for the accurate delivery of dopants into a nanometre or micrometre area in a silicon substrate. All the implanted ions can be accurately counted with near 100% certainty through online detection using the silicon substrate itself as an ion detector. A variety of ion species including B + , N + , P + at the energy range of 10-15 keV can be delivered in the single ion implantation system. (author). 6 refs., 6 figs

  1. The single-ion anisotropy effects in the mixed-spin ternary-alloy

    Science.gov (United States)

    Albayrak, Erhan

    2018-04-01

    The effect of single-ion anisotropy on the thermal properties of the ternary-alloy in the form of ABpC1-p is investigated on the Bethe lattice (BL) in terms of exact recursion relations. The simulation on the BL consists of placing A atoms (spin-1/2) on the odd shells and randomly placing B (spin-3/2) or C (spin-5/2) atoms with concentrations p and 1 - p, respectively, on the even shells. The phase diagrams are calculated in possible planes spanned by the system parameters: temperature, single-ion anisotropy, concentration and ratio of the bilinear interaction parameters for z = 3 corresponding to the honeycomb lattice. It is found that the crystal field drives the system to the lowest possible state therefore reducing the temperatures of the critical lines in agreement with the literature.

  2. Modifying the properties of 4f single-ion magnets by peripheral ligand functionalisation

    DEFF Research Database (Denmark)

    Pedersen, Kasper Steen; Ungur, Liviu; Sigrist, Marc

    2014-01-01

    We study the ligand-field splittings and magnetic properties of three ErIII single-ion magnets which differ in the peripheral ligand sphere but exhibit similar first coordination spheres by inelastic neutron scattering (INS) and SQUID magnetometry. The INS spectra of the three compounds are profo......We study the ligand-field splittings and magnetic properties of three ErIII single-ion magnets which differ in the peripheral ligand sphere but exhibit similar first coordination spheres by inelastic neutron scattering (INS) and SQUID magnetometry. The INS spectra of the three compounds...... allows for the extraction of the sign and magnitude of all symmetry-allowed Stevens parameters. The parameter values and the energy spectrum derived from INS are compared to the results of state-of-the-art ab initio CASSCF calculations. Temperature-dependent alternating current (ac) susceptibility...... measurements suggest that the magnetisation relaxation in the investigated temperature range of 1.9 K

  3. Single-ion and pair-interaction potentials near simple metal surfaces

    International Nuclear Information System (INIS)

    Barnett, R.N.; Barrera, R.G.; Cleveland, C.L.; Landman, U.

    1983-01-01

    Presented is a model for semi-infinite simple metals which does not require crystalline order or a single species, and thus is applicable to problems of defect energetics near the surface and random-alloy surfaces as well as ideal metal surfaces. The formulation is based on the use of ionic pseudopotentials and linear-response theory. An expression for the total energy is obtained which depends explicitly on ionic species and position. This expression is decomposed into a density-dependent term and single-ion and ionic pair-interaction potential terms. The single-ion potentials oscillate about a constant bulk value, with the magnitude of the oscillation decreasing rapidly away from the surface. The interaction between pairs of ions near the surface is shown to be a noncentral force interaction which differs significantly from the central-force bulk pair potential. The effect of quantum interference in the response of the semi-infinite electron gas to the ions is seen in both the single-ion and the pair-interaction potentials. Results are presented for the simple metals sodium, potassium, and rubidium

  4. Can we better use existing and emerging computing hardware to embed activity coefficient predictions in complex atmospheric aerosol models?

    Science.gov (United States)

    Topping, David; Alibay, Irfan; Ruske, Simon; Hindriksen, Vincent; Noisternig, Michael

    2016-04-01

    To predict the evolving concentration, chemical composition and ability of aerosol particles to act as cloud droplets, we rely on numerical modeling. Mechanistic models attempt to account for the movement of compounds between the gaseous and condensed phases at a molecular level. This 'bottom up' approach is designed to increase our fundamental understanding. However, such models rely on predicting the properties of molecules and subsequent mixtures. For partitioning between the gaseous and condensed phases this includes: saturation vapour pressures; Henrys law coefficients; activity coefficients; diffusion coefficients and reaction rates. Current gas phase chemical mechanisms predict the existence of potentially millions of individual species. Within a dynamic ensemble model, this can often be used as justification for neglecting computationally expensive process descriptions. Indeed, on whether we can quantify the true sensitivity to uncertainties in molecular properties, even at the single aerosol particle level it has been impossible to embed fully coupled representations of process level knowledge with all possible compounds, typically relying on heavily parameterised descriptions. Relying on emerging numerical frameworks, and designed for the changing landscape of high-performance computing (HPC), in this study we show that comprehensive microphysical models from single particle to larger scales can be developed to encompass a complete state-of-the-art knowledge of aerosol chemical and process diversity. We focus specifically on the ability to capture activity coefficients in liquid solutions using the UNIFAC method, profiling traditional coding strategies and those that exploit emerging hardware.

  5. Activity coefficients of CaCl2 in (maltose + water) and (lactose + water) mixtures at 298.15 K

    International Nuclear Information System (INIS)

    Zhuo Kelei; Liu Hongxun; Zhang Honghao; Liu Yaohui; Wang Jianji

    2008-01-01

    Activity coefficients of CaCl 2 in disaccharide {(maltose, lactose) + water} mixtures at 298.15 K were determined by cell potentials. The molalities of CaCl 2 ranged from about 0.01 mol . kg -1 to 0.20 mol . kg -1 , the mass fractions of maltose from 0.05 to 0.25, and those of lactose from 0.025 to 0.125. The cell potentials were analyzed by using the Debye-Hueckel extended equation and the Pitzer equation. The activity coefficients obtained from the two theoretical models are in good agreement with each other. Gibbs free energy interaction parameters (g ES ) and salting constants (k S ) were also obtained. These were discussed in terms of the stereo-chemistry of saccharide molecules and the structural interaction model

  6. Direct application of UNIFAC activity coefficient computer programs to the calculation of solvent activities and .chi.-parameters for polymer solutions

    NARCIS (Netherlands)

    van den Berg, J.W.A.

    1984-01-01

    Application of UNIFAC computer calculations to polymer solutions does not seem to make sense because of the value of the solvent activity: close to 1.000 over a considerable range of concentrations (up to 90% of polymer). A simple procedure is proposed to calculate solvent activity coefficients, and

  7. Determination of Diffusion Coefficients and Activation Energy of Selected Organic Liquids using Reversed-Flow Gas Chromatographic Technique

    International Nuclear Information System (INIS)

    Khalisanni Khalid; Rashid Atta Khan; Sharifuddin Mohd Zain

    2012-01-01

    Evaporation of vaporize organic liquid has ecological consequences when the compounds are introduced into both freshwater and marine environments through industrial effluents, or introduced directly into the air from industrial unit processes such as bioreactors and cooling towers. In such cases, a rapid and simple method are needed to measure physicochemical properties of the organic liquids. The Reversed-Flow Gas Chromatography (RF-GC) sampling technique is an easy, fast and accurate procedure. It was used to measure the diffusion coefficients of vapors from liquid into a carrier gas and at the same time to determine the rate coefficients for the evaporation of the respective liquid. The mathematical expression describing the elution curves of the samples peaks was derived and used to calculate the respective parameters for the selected liquid pollutants selected such as methanol, ethanol, 1-propanol, 1-butanol, n-pentane, n-hexane, n-heptane and n-hexadecane, evaporating into the carrier gas of nitrogen. The values of diffusion coefficients found were compared with those calculated theoretically or reported in the literature. The values of evaporation rate were used to determine the activation energy of respective samples using Arrhenius equation. An interesting finding of this work is by using an alternative mathematical analysis based on equilibrium at the liquid-gas interphase, the comparison leads to profound agreement between theoretical values of diffusion coefficients and experimental evidence. (author)

  8. Simultaneous reconstruction of emission activity and attenuation coefficient distribution from TOF data, acquired with external transmission source

    International Nuclear Information System (INIS)

    Panin, V Y; Aykac, M; Casey, M E

    2013-01-01

    The simultaneous PET data reconstruction of emission activity and attenuation coefficient distribution is presented, where the attenuation image is constrained by exploiting an external transmission source. Data are acquired in time-of-flight (TOF) mode, allowing in principle for separation of emission and transmission data. Nevertheless, here all data are reconstructed at once, eliminating the need to trace the position of the transmission source in sinogram space. Contamination of emission data by the transmission source and vice versa is naturally modeled. Attenuated emission activity data also provide additional information about object attenuation coefficient values. The algorithm alternates between attenuation and emission activity image updates. We also proposed a method of estimation of spatial scatter distribution from the transmission source by incorporating knowledge about the expected range of attenuation map values. The reconstruction of experimental data from the Siemens mCT scanner suggests that simultaneous reconstruction improves attenuation map image quality, as compared to when data are separated. In the presented example, the attenuation map image noise was reduced and non-uniformity artifacts that occurred due to scatter estimation were suppressed. On the other hand, the use of transmission data stabilizes attenuation coefficient distribution reconstruction from TOF emission data alone. The example of improving emission images by refining a CT-based patient attenuation map is presented, revealing potential benefits of simultaneous CT and PET data reconstruction. (paper)

  9. The rise of 3-d single-ion magnets in molecular magnetism: towards materials from molecules?

    Science.gov (United States)

    Frost, Jamie M; Harriman, Katie L M; Murugesu, Muralee

    2016-04-21

    Single-molecule magnets (SMMs) that contain one spin centre (so-called single-ion magnets) theoretically represent the smallest possible unit for spin-based electronic devices. The realisation of this and related technologies, depends on first being able to design systems with sufficiently large energy barriers to magnetisation reversal, U eff , and secondly, on being able to organise these molecules into addressable arrays. In recent years, significant progress has been made towards the former goal - principally as a result of efforts which have been directed towards studying complexes based on highly anisotropic lanthanide ions, such as Tb(iii) and Dy(iii). Since 2013 however, and the remarkable report by Long and co-workers of a linear Fe(i) system exhibiting U eff = 325 K, single-ion systems of transition metals have undergone something of a renaissance in the literature. Not only do they have important lessons to teach us about anisotropy and relaxation dynamics in the quest to enhance U eff , the ability to create strongly coupled spin systems potentially offers access to a whole of host of 1, 2 and 3-dimensional materials with interesting structural and physical properties. This perspective summarises recent progress in this rapidly expanding sub-genre of molecular magnetism from the viewpoint of the synthetic chemist, with a particular focus on the lessons that have so far been learned from single-ion magnets of the d-block, and, the future research directions which we feel are likely to emerge in the coming years.

  10. Determination of composition of complexes and calculation of their activity coefficients during extraction of some lanthanides with tertiary amine nitrates

    International Nuclear Information System (INIS)

    Ochkin, A.V.; Lazarevich, V.E.; Zagorets, P.A.; Dmitriev, A.Yu.

    1979-01-01

    Extraction of promethium and europium with trioctylammonium nitrate solutions in toluene and cerium extraction with solution of tridodecylammonium nitrate in CCl 4 has been studied as a function of extragent concentration. The dependence of distribution coefficient logarithm on the extragent concentration logarithm is non-linear. The solutions of tridodecylammonium nitrate in CCl 4 containing cerium or luthecium nitrates have been investigated ebulliometrically. The activity coefficients of the complex have been calculated. The ebulliometric data agree with extraction data for cerium only under assumption of the formation of (R 3 NH) 3 M(NO 3 ) 6 during extraction. Such complexes are weakly associated in CCl 4 and association grows when passing from cerium to lutecium

  11. Measurement of gas/water uptake coefficients for trace gases active in the marine environment

    Energy Technology Data Exchange (ETDEWEB)

    Davidovits, P. (Boston Coll., Chestnut Hill, MA (United States). Dept. of Chemistry); Worsnop, D.W.; Zahniser, M.S.; Kolb, C.E. (Aerodyne Research, Inc., Billerica, MA (United States). Center for Chemical and Environmental Physics)

    1992-02-01

    Ocean produced reduced sulfur compounds including dimethylsulfide (DMS), hydrogen sulfide (H{sub 2}S), carbon disulfide (CS{sub 2}), methyl mercaptan (CH{sub 3}CH) and carbonyl sulfide (OCS) deliver a sulfur burden to the atmosphere which is roughly equal to sulfur oxides produced by fossil fuel combustion. These species and their oxidation products dimethyl sulfoxide (DMSO), dimethyl sulfone (DMSO{sub 2}) and methane sulfonic acid (MSA) dominate aerosol and CCN production in clean marine air. Furthermore, oxidation of reduced sulfur species will be strongly influenced by NO{sub x}/O{sub 3} chemistry in marine atmospheres. The multiphase chemical processes for these species must be understood in order to study the evolving role of combustion produced sulfur oxides over the oceans. We have measured the chemical and physical parameters affecting the uptake of reduced sulfur compounds, their oxidation products, ozone, and nitrogen oxides by the ocean's surface, and marine clouds, fogs, and aerosols. These parameters include: gas/surface mass accommodation coefficients; physical and chemically modified (effective) Henry's law constants; and surface and liquid phase reaction constants. These parameters are critical to understanding both the interaction of gaseous trace species with cloud and fog droplets and the deposition of trace gaseous species to dew covered, fresh water and marine surfaces.

  12. Dynamic Coefficients of a Tilting Pad With Active Lubrication: Comparison Between Theoretical and Experimental Results

    DEFF Research Database (Denmark)

    Cerda Varela, Alejandro Javier; Santos, Ilmar

    2015-01-01

    This paper deals with the validation of the mathematical model for predicting the equivalent stiffness and damping of an active tilting-pad bearing. The active bearing design includes an injection nozzle in the pad and a hydraulic supply system featuring a servovalve, which enables to modify the ....... The results provide an overview about the feasibility of modifying the bearing impedance by means of the active lubrication system, both in open-loop (fixed control signal), or closed-loop, as a function of the journal position and proportional derivative (PD) controller gains....

  13. Feasibility of Observing and Characterizing Single Ion Strikes in Microelectronic Components.

    Energy Technology Data Exchange (ETDEWEB)

    Dingreville, Remi Philippe Michel [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States); Hattar, Khalid Mikhiel [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States); Bufford, Daniel Charles [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)

    2015-11-01

    The transient degradation of semiconductor device performance under irradiation has long been an issue of concern. A single high-energy charged particle can degrade or permanently destroy the microelectronic component, potentially altering the course or function of the systems. Disruption of the the crystalline structure through the introduction of quasi-stable defect structures can change properties from semiconductor to conductor. Typically, the initial defect formation phase is followed by a recovery phase in which defect-defect or defect-dopant interactions modify the characteristics of the damaged structure. In this LDRD Express, in-situ ion irradiation transmission microscopy (TEM) in-situ TEM experiments combined with atomistic simulations have been conducted to determine the feasibility of imaging and characterizing the defect structure resulting from a single cascade in silicon. In-situ TEM experiments have been conducted to demonstrate that a single ion strike can be observed in Si thin films with nanometer resolution in real time using the in-situ ion irradiation transmission electron microscope (I3TEM). Parallel to this experimental effort, ion implantation has been numerically simulated using Molecular Dynamics (MD). This numerical framework provides detailed predictions of the damage and follow the evolution of the damage during the first nanoseconds. The experimental results demonstrate that single ion strike can be observed in prototypical semiconductors.

  14. Feasibility of Observing and Characterizing Single Ion Strikes in Microelectronic Components

    International Nuclear Information System (INIS)

    Dingreville, Remi Philippe Michel; Hattar, Khalid Mikhiel; Bufford, Daniel Charles

    2015-01-01

    The transient degradation of semiconductor device performance under irradiation has long been an issue of concern. A single high-energy charged particle can degrade or permanently destroy the microelectronic component, potentially altering the course or function of the systems. Disruption of the the crystalline structure through the introduction of quasi-stable defect structures can change properties from semiconductor to conductor. Typically, the initial defect formation phase is followed by a recovery phase in which defect-defect or defect-dopant interactions modify the characteristics of the damaged structure. In this LDRD Express, in-situ ion irradiation transmission microscopy (TEM) in-situ TEM experiments combined with atomistic simulations have been conducted to determine the feasibility of imaging and characterizing the defect structure resulting from a single cascade in silicon. In-situ TEM experiments have been conducted to demonstrate that a single ion strike can be observed in Si thin films with nanometer resolution in real time using the in-situ ion irradiation transmission electron microscope (I 3 TEM). Parallel to this experimental effort, ion implantation has been numerically simulated using Molecular Dynamics (MD). This numerical framework provides detailed predictions of the damage and follow the evolution of the damage during the first nanoseconds. The experimental results demonstrate that single ion strike can be observed in prototypical semiconductors.

  15. Feasibility of Influencing the Dynamic Fluid Film Coefficients of a Multirecess Journal Bearing by means of Active Hybrid Lubrication

    DEFF Research Database (Denmark)

    Santos, Ilmar; Watanabe, F. Y.

    2003-01-01

    The main objective of this research project is the investigation of multirecess hydrostatic journal bearings with active hybrid (hydrostatic and hydrodynamic) lubrication. This paper gives a theoretical contribution to the modeling of this kind of bearing, combining computational fluid dynamics...... and control techniques. The feasibility of influencing the dynamic fluid film coefficients (stiffness and damping) by means of a controllable fluid injection into opposed bearing recesses is investigated. By controlling the pressure and flow injection using servo control systems, it is possible to obtain...

  16. Activity coefficients at infinite dilution of hydrocarbons in glycols: Experimental data and thermodynamic modeling with the GCA-EoS

    International Nuclear Information System (INIS)

    González Prieto, Mariana; Williams-Wynn, Mark D.; Bahadur, Indra; Sánchez, Francisco A.; Mohammadi, Amir H.

    2017-01-01

    Highlights: • Experimental infinite dilution activity coefficients of hydrocarbons in glycols. • Inverse gas-liquid chromatography technique. • Solutes investigated include n-alkanes, 1-alkenes, and cycloalkanes. • Highly non-ideal systems are modeled with the GCA-EoS. - Abstract: The infinite dilution activity coefficients for 12 non-polar hydrocarbon solutes in the solvents, monoethylene and diethylene glycol, were measured using the gas-liquid chromatography technique. Pre-saturation of the carrier gas was required to avoid solvent loss from the chromatographic column during the measurements that were carried out at T = (303.15, 313.15 and 323.15) K for monoethylene glycol and at T = (304.15, 313.15 and 323.15) K for diethylene glycol. The solutes investigated include n-alkanes, 1-alkenes, and cycloalkanes. The new data are compared with the highly scattered data that is available in the open literature. Finally, these highly non-ideal systems are modeled with the GCA-EoS.

  17. Single Ion transient-IBIC analyses of semiconductor devices using a cryogenic temperature stage

    International Nuclear Information System (INIS)

    Laird, J.S.; Bardos, R.; Legge, G.J.F.; Jagadish, C.

    1998-01-01

    A new Transient - IBIC data acquisition and analysis system at MARC is described. A discussion on the need for single ion control and temperature control is also given. The recorded signal is used as the trigger for beam pulsing. The new cryostatic temperature control stage is introduced. Data is presented on line profiles across the edge of a Au-Si junction collected over the temperature range of 25-300K using a developed C-V and I-V variable temperature stage incorporating a liquid helium cryostat. It demonstrates the potential improvements in spatial resolution in materials of long lifetime by mapping on timing windows around the prompt charge component in the charge transient

  18. Single-ion and single-chain magnetism in triangular spin-chain oxides

    Science.gov (United States)

    Seikh, Md. Motin; Caignaert, Vincent; Perez, Olivier; Raveau, Bernard; Hardy, Vincent

    2017-05-01

    S r4 -xC axM n2Co O9 oxides (x =0 and x =2 ) are found to exhibit magnetic responses typical of single-chain magnets (SCMs) and single-ion magnets (SIMs), two features generally investigated in coordination polymers or complexes. The compound x =0 appears to be a genuine SCM, in that blocking effects associated with slow spin dynamics yield remanence and coercivity in the absence of long-range ordering (LRO). In addition, SIM signatures of nearly identical nature are detected in both compounds, coexisting with SCM in x =0 and with LRO in x =2 . It is also observed that a SCM response can be recovered in x =2 after application of magnetic field. These results suggest that purely inorganic systems could play a valuable role in the topical issue of the interplay among SIM, SCM, and LRO phenomena in low-dimensional magnetism.

  19. Development of noise-suppressed detector for single ion hit system

    Energy Technology Data Exchange (ETDEWEB)

    Sakai, Takuro; Hamano, Tsuyoshi; Suda, Tamotsu; Hirao, Toshio; Kamiya, Tomihiro [Japan Atomic Energy Research Inst., Takasaki, Gunma (Japan). Takasaki Radiation Chemistry Research Establishment

    1997-03-01

    A noise-suppressed detector for single ion detection has been developed, and combined with the heavy ion microbeam apparatus. This detector consists of a pair of micro channel plates (MCP`s) and a very thin carbon foil. The detection signal is formed by the coincidence of the signals from these MCP`s, so that this detector and the coincidence measurement unit can reduce miscounting in the circuit. The detection efficiency for 15 MeV heavy ions was evaluated to be comparable to that of a silicon surface-barrier detector (SSD) and the miscounting rate was 4 orders lower than the noise rate of a single MCP. The rise time of the detection signal was also estimated. (author)

  20. Single Ion transient-IBIC analyses of semiconductor devices using a cryogenic temperature stage

    Energy Technology Data Exchange (ETDEWEB)

    Laird, J.S.; Bardos, R.; Legge, G.J.F. [Melbourne Univ., Parkville, VIC (Australia). School of Physics; Jagadish, C. [Australian National Univ., Canberra, ACT (Australia). School of Physics, Electronic Materials Engineering

    1998-06-01

    A new Transient - IBIC data acquisition and analysis system at MARC is described. A discussion on the need for single ion control and temperature control is also given. The recorded signal is used as the trigger for beam pulsing. The new cryostatic temperature control stage is introduced. Data is presented on line profiles across the edge of a Au-Si junction collected over the temperature range of 25-300K using a developed C-V and I-V variable temperature stage incorporating a liquid helium cryostat. It demonstrates the potential improvements in spatial resolution in materials of long lifetime by mapping on timing windows around the prompt charge component in the charge transient. 2 figs.

  1. Dynamics of a single ion in a perturbed Penning trap: Octupolar perturbation

    International Nuclear Information System (INIS)

    Lara, Martin; Salas, J. Pablo

    2004-01-01

    Imperfections in the design or implementation of Penning traps may give rise to electrostatic perturbations that introduce nonlinearities in the dynamics. In this paper we investigate, from the point of view of classical mechanics, the dynamics of a single ion trapped in a Penning trap perturbed by an octupolar perturbation. Because of the axial symmetry of the problem, the system has two degrees of freedom. Hence, this model is ideal to be managed by numerical techniques like continuation of families of periodic orbits and Poincare surfaces of section. We find that, through the variation of the two parameters controlling the dynamics, several periodic orbits emanate from two fundamental periodic orbits. This process produces important changes (bifurcations) in the phase space structure leading to chaotic behavior

  2. Single ion impact detection and scanning probe aligned ion implantation for quantum bit formation

    International Nuclear Information System (INIS)

    Weis, Christoph D.

    2011-01-01

    Quantum computing and quantum information processing is a promising path to replace classical information processing via conventional computers which are approaching fundamental physical limits. Instead of classical bits, quantum bits (qubits) are utilized for computing operations. Due to quantum mechanical phenomena such as superposition and entanglement, a completely different way of information processing is achieved, enabling enhanced performance for certain problem sets. Various proposals exist on how to realize a quantum bit. Among them are electron or nuclear spins of defect centers in solid state systems. Two such candidates with spin degree of freedom are single donor atoms in silicon and nitrogen vacancy (NV) defect centers in diamond. Both qubit candidates possess extraordinary qualities which makes them promising building blocks. Besides certain advantages, the qubits share the necessity to be placed precisely in their host materials and device structures. A commonly used method is to introduce the donor atoms into the substrate materials via ion implantation. For this, focused ion beam systems can be used, or collimation techniques as in this work. A broad ion beam hits the back of a scanning probe microscope (SPM) cantilever with incorporated apertures. The high resolution imaging capabilities of the SPM allows the non destructive location of device areas and the alignment of the cantilever and thus collimated ion beam spot to the desired implant locations. In this work, this technique is explored, applied and pushed forward to meet necessary precision requirements. The alignment of the ion beam to surface features, which are sensitive to ion impacts and thus act as detectors, is demonstrated. The technique is also used to create NV center arrays in diamond substrates. Further, single ion impacts into silicon device structures are detected which enables deliberate single ion doping.

  3. Single ion impact detection and scanning probe aligned ion implantation for quantum bit formation

    Energy Technology Data Exchange (ETDEWEB)

    Weis, Christoph D.

    2011-10-04

    Quantum computing and quantum information processing is a promising path to replace classical information processing via conventional computers which are approaching fundamental physical limits. Instead of classical bits, quantum bits (qubits) are utilized for computing operations. Due to quantum mechanical phenomena such as superposition and entanglement, a completely different way of information processing is achieved, enabling enhanced performance for certain problem sets. Various proposals exist on how to realize a quantum bit. Among them are electron or nuclear spins of defect centers in solid state systems. Two such candidates with spin degree of freedom are single donor atoms in silicon and nitrogen vacancy (NV) defect centers in diamond. Both qubit candidates possess extraordinary qualities which makes them promising building blocks. Besides certain advantages, the qubits share the necessity to be placed precisely in their host materials and device structures. A commonly used method is to introduce the donor atoms into the substrate materials via ion implantation. For this, focused ion beam systems can be used, or collimation techniques as in this work. A broad ion beam hits the back of a scanning probe microscope (SPM) cantilever with incorporated apertures. The high resolution imaging capabilities of the SPM allows the non destructive location of device areas and the alignment of the cantilever and thus collimated ion beam spot to the desired implant locations. In this work, this technique is explored, applied and pushed forward to meet necessary precision requirements. The alignment of the ion beam to surface features, which are sensitive to ion impacts and thus act as detectors, is demonstrated. The technique is also used to create NV center arrays in diamond substrates. Further, single ion impacts into silicon device structures are detected which enables deliberate single ion doping.

  4. Individual activity coefficients of single ionic species of alkaline earth halogenides, alkaline earth perchlorates, and uranyl perchlorate at 25 0C in aqueous solutions

    International Nuclear Information System (INIS)

    Ferse, A.

    1981-01-01

    The individual activity coefficients of the single ionic species of alkaline-earth haloides, alkaline earth perchlorates and uranylic perchlorate, resp., at 25 0 C in aqueous solution are calculated and presented up to the concentration of about m = 4 mol/kg. The individual activity coefficients of the alkaline-earth ions pass mostly as a function of the concentration through a steep minimum and decrease from Mg 2+ to Ba 2+ . The individual activity coefficients of the anions pass generally as a function of the concentration through a marked flat minimum, but they increase - the complex perchlorate ions excepted - only a little above 1. (author)

  5. Estimation of abraham solvation equation coefficients for hydrogen bond formation from abraham solvation parameters for solute activity and basicity

    NARCIS (Netherlands)

    Noort, van P.C.M.

    2013-01-01

    Abraham solvation equations find widespread use in environmental chemistry and pharmaco-chemistry. The coefficients in these equations, which are solvent (system) descriptors, are usually determined by fitting experimental data. To simplify the determination of these coefficients in Abraham

  6. Effect of Silicon on Activity Coefficients of Platinum in Liquid Fe-Si, With Application to Core Formation

    Science.gov (United States)

    Righter, K.; Pando, K.; Danielson, L. R.; Humayun, M.

    2017-01-01

    Earth's core contains approximately 10% of a light element that is likely a combination of S, C, Si, and O, with Si possibly being the most abundant light element. Si dissolved into Fe liquids can have a large effect on the magnitude of the activity coefficient of siderophile elements (SE) in Fe liquids, and thus the partitioning behavior of those elements between core and mantle. The effect of Si can be small such as for Ni and Co, or large such as for Mo, Ge, Sb, As. The effect of Si on many siderophile elements is unknown yet could be an important, and as yet unquantified, influence on the core-mantle partitioning of SE. Here we report new experiments designed to quantify the effect of Si on the partitioning of Pt (with Re and Ru in progress or planned) between metal and silicate melt. The results will be applied to Earth, for which we have excellent constraints on the mantle Pt concentrations.

  7. Assessment of odor activity value coefficient and odor contribution based on binary interaction effects in waste disposal plant

    Science.gov (United States)

    Wu, Chuandong; Liu, Jiemin; Yan, Luchun; Chen, Haiying; Shao, Huiqi; Meng, Tian

    2015-02-01

    Odor activity value (OAV) has been widely used for the assessment of odor pollution from various sources. However, little attention has been paid to the extreme OAV variation and potential inaccuracies of odor contribution assessment caused by odor interaction effects. The objective of this study is to assess the odor interaction effect for precise assessment of odor contribution. In this paper, samples were collected from a food waste disposal plant, and analyzed by instrumental and olfactory method to conclude odorants' occurrence and OAV. Then odor activity value coefficient (γ) was first proposed to evaluate the type and the level of binary interaction effects based on determination of OAV variation. By multiplying OAV and γ, odor activity factor (OAF) was used to reflect the real OAV. Correlation between the sum of OAF and odor concentration reached 80.0 ± 5.7%, which was 10 times higher than the sum of OAV used before. Results showed that hydrogen sulfide contributed most (annual average 66.4 ± 15.8%) to odor pollution in the waste disposal plant. However, as odor intensity of samples in summer rising, odor contribution of trimethylamine increased to 48.3 ± 3.7% by the strong synergistic interaction effect, while odor contribution of phenol decreased to 0.1 ± 0.02% for the increasing antagonistic interaction effect.

  8. The Diet Quality of Competitive Adolescent Male Rugby Union Players with Energy Balance Estimated Using Different Physical Activity Coefficients.

    Science.gov (United States)

    Burrows, Tracy; Harries, Simon K; Williams, Rebecca L; Lum, Cheryl; Callister, Robin

    2016-09-07

    The aims of the current study were to comprehensively assess the dietary intakes and diet quality of a sample of Australian competitive adolescent rugby union players and compare these intakes with National and Sports Dietitians Association (SDA) Recommendations for adolescent athletes. A secondary aim investigated applying different physical activity level (PAL) coefficients to determine total energy expenditure (TEE) in order to more effectively evaluate the adequacy of energy intakes. Cross-sectional. Anthropometrics and dietary intakes were assessed in 25 competitive adolescent male rugby union players (14 to 18 years old). Diet was assessed using the validated Australian Eating Survey (AES) food frequency questionnaire and diet quality was assessed through the Australian Recommended Food Score. The median dietary intakes of participants met national recommendations for percent energy (% E) from carbohydrate, protein and total fat, but not carbohydrate intake when evaluated as g/day as proposed in SDA guidelines. Median intakes of fibre and micronutrients including calcium and iron also met national recommendations. Overall diet quality was classified as 'good' with a median diet quality score of 34 (out of a possible 73); however, there was a lack of variety within key food groups including carbohydrates and proteins. Non-core food consumption exceeded recommended levels at 38% of the daily total energy intake, with substantial contributions from takeaway foods and sweetened beverages. A PAL coefficient of 1.2-1.4 was found to best balance the energy intakes of these players in their pre-season. Adolescent rugby players met the percent energy recommendations for macronutrients and attained an overall 'good' diet quality score. However, it was identified that when compared to specific recommendations for athletes, carbohydrate intakes were below recommendations and these players in their pre-season reported high consumption of non-core foods, particularly sugar

  9. The Diet Quality of Competitive Adolescent Male Rugby Union Players with Energy Balance Estimated Using Different Physical Activity Coefficients

    Science.gov (United States)

    Burrows, Tracy; Harries, Simon K.; Williams, Rebecca L.; Lum, Cheryl; Callister, Robin

    2016-01-01

    Objectives: The aims of the current study were to comprehensively assess the dietary intakes and diet quality of a sample of Australian competitive adolescent rugby union players and compare these intakes with National and Sports Dietitians Association (SDA) Recommendations for adolescent athletes. A secondary aim investigated applying different physical activity level (PAL) coefficients to determine total energy expenditure (TEE) in order to more effectively evaluate the adequacy of energy intakes. Design: Cross-sectional. Methods: Anthropometrics and dietary intakes were assessed in 25 competitive adolescent male rugby union players (14 to 18 years old). Diet was assessed using the validated Australian Eating Survey (AES) food frequency questionnaire and diet quality was assessed through the Australian Recommended Food Score. Results: The median dietary intakes of participants met national recommendations for percent energy (% E) from carbohydrate, protein and total fat, but not carbohydrate intake when evaluated as g/day as proposed in SDA guidelines. Median intakes of fibre and micronutrients including calcium and iron also met national recommendations. Overall diet quality was classified as ‘good’ with a median diet quality score of 34 (out of a possible 73); however, there was a lack of variety within key food groups including carbohydrates and proteins. Non-core food consumption exceeded recommended levels at 38% of the daily total energy intake, with substantial contributions from takeaway foods and sweetened beverages. A PAL coefficient of 1.2–1.4 was found to best balance the energy intakes of these players in their pre-season. Conclusions: Adolescent rugby players met the percent energy recommendations for macronutrients and attained an overall ‘good’ diet quality score. However, it was identified that when compared to specific recommendations for athletes, carbohydrate intakes were below recommendations and these players in their pre

  10. The Diet Quality of Competitive Adolescent Male Rugby Union Players with Energy Balance Estimated Using Different Physical Activity Coefficients

    Directory of Open Access Journals (Sweden)

    Tracy Burrows

    2016-09-01

    Full Text Available Objectives: The aims of the current study were to comprehensively assess the dietary intakes and diet quality of a sample of Australian competitive adolescent rugby union players and compare these intakes with National and Sports Dietitians Association (SDA Recommendations for adolescent athletes. A secondary aim investigated applying different physical activity level (PAL coefficients to determine total energy expenditure (TEE in order to more effectively evaluate the adequacy of energy intakes. Design: Cross-sectional. Methods: Anthropometrics and dietary intakes were assessed in 25 competitive adolescent male rugby union players (14 to 18 years old. Diet was assessed using the validated Australian Eating Survey (AES food frequency questionnaire and diet quality was assessed through the Australian Recommended Food Score. Results: The median dietary intakes of participants met national recommendations for percent energy (% E from carbohydrate, protein and total fat, but not carbohydrate intake when evaluated as g/day as proposed in SDA guidelines. Median intakes of fibre and micronutrients including calcium and iron also met national recommendations. Overall diet quality was classified as ‘good’ with a median diet quality score of 34 (out of a possible 73; however, there was a lack of variety within key food groups including carbohydrates and proteins. Non-core food consumption exceeded recommended levels at 38% of the daily total energy intake, with substantial contributions from takeaway foods and sweetened beverages. A PAL coefficient of 1.2–1.4 was found to best balance the energy intakes of these players in their pre-season. Conclusions: Adolescent rugby players met the percent energy recommendations for macronutrients and attained an overall ‘good’ diet quality score. However, it was identified that when compared to specific recommendations for athletes, carbohydrate intakes were below recommendations and these players in their

  11. Diode-like single-ion track membrane prepared by electro-stopping

    International Nuclear Information System (INIS)

    Apel, P.Yu.; Korchev, Yu.E.; Siwy, Z.; Spohr, R.; Yoshida, M.

    2001-01-01

    The preparation of an asymmetric membrane in poly(ethylene terephthalate) (PET) is described, using a combination of chemical and electro-stopping. For this purpose, a single-ion-irradiated PET film is inserted into an electrolytic cell and etched from one side in 9 M sodium hydroxide while bathing the other side in a mixture of 2 M KCl and 2 M HCOOH (1:1 by volume), electrically retracting the OH - ions from the tip of the etch pit during pore break-through. When a preset current has been reached, the etch process is interrupted by replacing the etching solution with acidic 1 M potassium chloride solution. After etching, the current-voltage (I-V) characteristic is determined under symmetric bathing conditions, immersing both sides of the membrane in KCl solutions of identical concentration (0.01-1 M) and pH (3-8). The I-V characteristic is strongly non-linear, comparable to that of an electrical diode. If the polarity during etching is reversed, pushing the OH - ions into the tip of the etch pit, the resulting pores are larger and the degree of asymmetry smaller. The importance of electro-stopping is compared with chemical stopping

  12. Development of the IFJ single ion hit facility for cells irradiation

    International Nuclear Information System (INIS)

    Veselov, O.; Polak, W.; Ugenskiene, R.; Hajduk, R.; Lebed, K.; Lekki, J.; Horwacik, T.; Dutkiewicz, E.M.; Maranda, S.; Pieprzyca, T.; Sarnecki, C.; Stachura, Z.; Szklarz, Z.; Styczen, J.

    2005-12-01

    In recent years a single ion hit facility (SIHF) has been constructed at the IFJ ion microprobe. The setup is used for the precise irradiations of living cells by a controlled number of ions. The facility allows investigations in various aspects of biomedical research, such as adaptive response, bystander effect, inverse dose-rate effect, low-dose hypersensitivity, etc. Those investigations have two very important requirements: (i) cells must be examined in their natural state and environment, i.e. without previously being killed, and preferentially, neither fixed nor stained, and (ii) a possibility of automatic irradiation of large number of cells with a computer recognition of their positions must be provided. This work presents some of the crucial features of the off-line and on-line optical systems, including self-developed software responsible for the automatic cell recognition. We also show several tests carried out to determine the efficiency of the whole setup and some segments. In conclusion, the results of our first irradiation measurements performed with living cells are demonstrated. (author)

  13. Luminescent single-ion magnets from Lanthanoid(III) complexes with monodentate ketone ligands

    Energy Technology Data Exchange (ETDEWEB)

    Kanetomo, Takuya; Ishida, Takayuki, E-mail: takayuki.ishida@uec.ac.jp [Department of Engineering Science, The University of Electro-Communications, Tokyo (Japan)

    2016-02-01

    We synthesized [Ln{sup III}(hfac){sub 3}(H{sub 2}O)(L)] (abbreviated as Ln-L; Ln = Gd, Tb, Eu; L = DTBK (di-t-butyl ketone), BP (benzophenone)), in which the carbonyl oxygen atom was coordinated to the Ln ion center, despite of such bulky substituents. Their crystal structures were determined by means of X-ray diffraction study. Gd-DTBK is completely isomorphous to the di-t-butyl nitroxide derivative and accordingly can be regarded as a model with the ligand spin masked. The ac magnetic susceptibility measurements on Tb-DTBK and -BP showed frequency dependence, characteristic of single-ion magnets. They also displayed photoluminescence in the solid state at room temperature. The quantum yields of the luminescence of Tb-DTBK and -BP (λ{sub ex} = 360 nm) were improved to 57 and 35%, respectively, from that of the starting material [TbI{sup III}(hfac){sub 3}(H{sub 2}O){sub 2}] (28% at λ{sub ex} = 370 nm). Similarly, the quantum yields for Eu-DTBK and -BP were 8 and 15%, respectively, with λ{sub ex} = 400 nm, while that of the starting material [EuI{sup III}(hfac){sub 3}(H{sub 2}O){sub 2}] was 4% at λ{sub ex}=400 nm.

  14. Luminescent single-ion magnets from Lanthanoid(III) complexes with monodentate ketone ligands

    Science.gov (United States)

    Kanetomo, Takuya; Ishida, Takayuki

    2016-02-01

    We synthesized [LnIII(hfac)3(H2O)(L)] (abbreviated as Ln-L; Ln = Gd, Tb, Eu; L = DTBK (di-t-butyl ketone), BP (benzophenone)), in which the carbonyl oxygen atom was coordinated to the Ln ion center, despite of such bulky substituents. Their crystal structures were determined by means of X-ray diffraction study. Gd-DTBK is completely isomorphous to the di-t-butyl nitroxide derivative and accordingly can be regarded as a model with the ligand spin masked. The ac magnetic susceptibility measurements on Tb-DTBK and -BP showed frequency dependence, characteristic of single-ion magnets. They also displayed photoluminescence in the solid state at room temperature. The quantum yields of the luminescence of Tb-DTBK and -BP (λex = 360 nm) were improved to 57 and 35%, respectively, from that of the starting material [TbIIII(hfac)3(H2O)2] (28% at λex = 370 nm). Similarly, the quantum yields for Eu-DTBK and -BP were 8 and 15%, respectively, with λex = 400 nm, while that of the starting material [EuIIII(hfac)3(H2O)2] was 4% at λex=400 nm.

  15. Osmotic and activity coefficients of aqueous NaTcO4 and NaReO4 solutions at 250C

    International Nuclear Information System (INIS)

    Boyd, G.E.

    1978-01-01

    Isopiestic vapor-pressure comparison experiments were performed with aqueous binary sodium perchlorate, pertechnetate, and perrhenate solutions to concentrations of approximately 8.5 m. Osmotic coefficients for these solutions and mean molal ionic activity coefficients for NaTcO 4 and NaReO 4 were derived from the isotonic molalities. Pitzer's treatment was applied to describe the concentration dependence of the osmotic coefficients of NaClO 4 , NaTcO 4 , and NaReO 4 , and the implications of the parameters derived from a least-squares fit are discussed in terms of solvent structure and interionic forces. 4 tables, 1 figure

  16. Vapour pressures, osmotic and activity coefficients for binary mixtures containing (1-ethylpyridinium ethylsulfate + several alcohols) at T = 323.15 K

    International Nuclear Information System (INIS)

    Calvar, Noelia; Gomez, Elena; Dominguez, Angeles; Macedo, Eugenia A.

    2010-01-01

    Osmotic coefficients of binary mixtures containing several primary and secondary alcohols (1-propanol, 2-propanol, 1-butanol, 2-butanol, and 1-pentanol) and the pyridinium-based ionic liquid 1-ethylpyridinium ethylsulfate were determined at T = 323.15 K using the vapour pressure osmometry technique. From the experimental results, vapour pressure and activity coefficients can be determined. For the correlation of osmotic coefficients, the extended Pitzer model modified by Archer, and the modified NRTL (MNRTL) model were used, obtaining deviations lower than 0.017 and 0.047, respectively. The mean molal activity coefficients and the excess Gibbs free energy for the binary mixtures studied were determined from the parameters obtained with the extended Pitzer model modified by Archer.

  17. Effects of methodological variation on assessment of riboflavin status using the erythrocyte glutathione reductase activation coefficient assay.

    Science.gov (United States)

    Hill, Marilyn H E; Bradley, Angela; Mushtaq, Sohail; Williams, Elizabeth A; Powers, Hilary J

    2009-07-01

    Riboflavin status is usually measured as the in vitro stimulation with flavin adenine dinucleotide of the erythrocyte enzyme glutathione reductase, and expressed as an erythrocyte glutathione reductase activation coefficient (EGRAC). This method is used for the National Diet and Nutrition Surveys (NDNS) of the UK. In the period between the 1990 and 2003 surveys of UK adults, the estimated prevalence of riboflavin deficiency, expressed as an EGRAC value > or = 1.30, increased from 2 to 46 % in males and from 1 to 34 % in females. We hypothesised that subtle but important differences in the detail of the methodology between the two NDNS accounted for this difference. We carried out an evaluation of the performance of the methods used in the two NDNS and compared against an 'in-house' method, using blood samples collected from a riboflavin intervention study. Results indicated that the method used for the 1990 NDNS gave a significantly lower mean EGRAC value than both the 2003 NDNS method and the 'in-house' method (P FAD used in the assay and the duration of the period of incubation of FAD with enzyme. The details of the EGRAC method should be standardised for use in different laboratories and over time. Additionally, it is proposed that consideration be given to re-evaluating the basis of the EGRAC threshold for riboflavin deficiency.

  18. Limiting activity coefficients of aqueous flavour systems at 298 K by the group contribution solvation (GCS) model

    Science.gov (United States)

    Nanu, Diana E.; de Loos, Theodoor W.

    In this work a new approach for using the GCS model is applied to predict the infinite dilution activity coefficients, γ∞, for aroma compounds in water. It involves the use of a better expression for the combinatorial contribution to γ∞, and a different treatment of the values of the α-scaling factors used in the cavity size definition in the quantum chemical solvation calculations. The α values for each functional group in the solvation calculations in water are optimized based on few experimental data of γ∞. The present approach is applied for describing aqueous systems of n-alkanols and methyl-ketones. The results discussed here show that the predicted γ∞ values are within the experimental accuracy for most of the compounds, and are more accurate than predictions using the classical UNIFAC-type group contribution models. Furthermore, a simple group contribution approach was developed based on quantum-computed quantities, which makes it possible to extend the applicability of the model without expensive quantum calculations. It is shown that such an approach is able to describe γ∞ well, even for larger systems.

  19. Activity coefficients at infinite dilution of organic solutes in diethylene glycol and triethylene glycol from gas–liquid chromatography

    International Nuclear Information System (INIS)

    Williams-Wynn, Mark D.; Letcher, Trevor M.; Naidoo, Paramespri; Ramjugernath, Deresh

    2013-01-01

    Highlights: • γ 13 ∞ values reported for 25 organic solutes in the solvents DEG and TEG. • Measurements undertaken using the glc technique at T = (333.2, 348.2, and 363.2) K. • Measurements at elevated temperature possible by pre-saturation of carrier gas. • Comparison of DEG and TEG performance with a number of solvents. -- Abstract: The infinite dilution activity coefficients for 25 hydrocarbon solutes in diethylene glycol (DEG) and triethylene glycol (TEG) were measured using the gas–liquid chromatography technique with pre-saturation of the carrier gas. The hydrocarbon solutes included n-alkanes, alk-1-enes, alk-1-ynes, cycloalkanes, alkylbenzenes and alkanols. At the temperatures at which measurements were conducted, the solvents were volatile, and pre-saturation was considered necessary. The measurements were made at T = (333.2, 348.2 and 363.2) K. Values of the selectivity and capacity relating to DEG and TEG, for two sets of mixtures, which are usually difficult to separate by distillation or solvent extraction, were calculated from the experimental results. The two sets of mixtures were: cyclohexane and benzene; and benzene and methanol. The results obtained in this work were then compared to values for other solvents, at similar temperatures, which were obtained or calculated from literature data

  20. Comb-shaped single ion conductors based on polyacrylate ethers and lithium alkyl sulfonate

    International Nuclear Information System (INIS)

    Sun Xiaoguang; Hou Jun; Kerr, John B.

    2005-01-01

    Comb-shaped single ion conductors have been synthesized by (1) sulfonation of small molecule chloroethyleneglycols, which, after ion exchange to the Li + salt were then converted to the acrylate by reaction with acryloyl chloride and copolymerized with polyethylene glycol monomethyl ether acrylate (Mn = 454, n = 8) (PAE 8 -co-E 3 SO 3 Li); (2) sulfonation of chloride end groups grafted on to prepolymers of polyacrylate ethers (PAE 8 -g-E n SO 3 Li, n = 2, 3). The highest conductivity at 25 deg. C of 2.0 x 10 -7 S cm -1 was obtained for the PAE 8 -co-E 3 SO 3 Li with a salt concentration of EO/Li = 40. The conductivity of PAE 8 -g-E 3 SO 3 Li is lower than that of PAE 8 -co-E 3 SO 3 Li at similar salt concentrations, which is related to the incomplete sulfonation of the grafted polymer that leads to a lower concentration of Li + . The addition of 50 wt.% of plasticizer, PC/EMC (1/1, v/v), to PAE 8 -g-E 2 SO 3 Li increases the ambient conductivity by three orders of magnitude, which is due to the increased ion mobility in a micro-liquid environment and an increase concentration of free ions as a result of the higher dielectric constant of the solvent. A symmetrical Li/Li cell with an electrolyte membrane consisting of 75 wt.% PC/EMC (1/1, v/v) was cycled at a current density of 100 μA cm -2 at 85 deg. C. The cycling profile showed no concentration polarization after a break-in period during the first few cycles, which was apparently due to reaction of the solvent at the lithium metal surface that reacted with lithium metal to form a stable SEI layer

  1. Activity coefficients at infinite dilution and enthalpies of solution of methanol, 1-butanol, and 1-hexanol in 1-hexyl-3-methyl-imidazolium bis(trifluoromethyl-sulfonyl) imide

    International Nuclear Information System (INIS)

    Heintz, Andreas; Verevkin, Sergey P.; Lehmann, Jochen K.; Vasiltsova, Tatiana V.; Ondo, Daniel

    2007-01-01

    Activity coefficients at infinite dilution γ i ∼ of methanol, 1-butanol, and 1-hexanol in the ionic liquid 1-hexyl-3-methyl-imidazolium bis(trifluoromethyl-sulfonyl) imide ([HMIM][NTf 2 ]) have been determined by gas chromatography using the ionic liquids as stationary phase. The measurements were carried out at different temperatures between 298K and 396K. From the temperature dependence of the limiting activity coefficients partial molar excess enthalpies at infinite dilution H i E,∼ of the alcohol in the ionic liquid have been derived. Additionally, enthalpies of solution of the same alcohols in the [HMIM][NTf 2 ] have been measured at T=298.15K in the range of low concentrations using titration calorimetry. Results at infinite dilution, H i E,∼ , are compared with those indirectly obtained from activity coefficients in infinite dilution γ i ∼ . Within the experimental error of both methods thermodynamic consistency has been confirmed

  2. Accurate measurements of infinite dilution activity coefficients using gas chromatography with static-wall-coated open-tubular columns.

    Science.gov (United States)

    Xu, Qianqian; Su, Baogen; Luo, Xinyi; Xing, Huabin; Bao, Zongbi; Yang, Qiwei; Yang, Yiwen; Ren, Qilong

    2012-11-06

    Wall-coated open-tubular (WCOT) columns provide higher column efficiency and lower solute interfacial adsorption effect than packed columns. However, previous efforts used to measure the infinite dilution activity coefficient (γ(∞)) via a chromatographic technique have used packed columns, because the low carrier gas flow rate (U) and the small stationary phase amount (n(2)) in WCOT columns raise large errors. By rationally revising the γ(∞)-calculation equation for static-wall-coated open-tubular column, we observed that U and n(2) are not necessarily needed and the resulting error could be reduced, and WCOT column gas chromatography subsequently became a superior method for the accurate γ(∞) determination. In this study, we validate our revised γ(∞)-calculation equation by measuring γ(∞) in an ionic liquid 1-butyl-3-methylimidazolium hexafluorophosphate system, in which 55 organic compounds covering a wide range of functional groups were used as probe solutes and their γ(∞) values in the ionic liquid were determined at 40.0, 50.0, and 60.0 °C. Experimental error analysis shows that our revised equation remarkably reduces the error compared to the common γ(∞)-calculation equation. Our data is consistent with previously reported values obtained via other techniques, which further proves the credibility of our revised equation. The accurately determined γ(∞) values can be directly used to calculate the partial molar excess enthalpy, selectivity, and capacity, which will benefit for the rapid screening of solvents (especially ionic liquids) in separation approaches.

  3. Linear solvation energy relationship of the limiting partition coefficient of organic solutes between water and activated carbon

    Science.gov (United States)

    Luehrs, Dean C.; Hickey, James P.; Nilsen, Peter E.; Godbole, K.A.; Rogers, Tony N.

    1995-01-01

    A linear solvation energy relationship has been found for 353 values of the limiting adsorption coefficients of diverse chemicals:  log K = −0.37 + 0.0341Vi − 1.07β + D + 0.65P with R = 0.951, s = 0.51, n = 353, and F = 818.0, where Vi is the intrinsic molar volume; β is a measure of the hydrogen bond acceptor strength of the solute; D is an index parameter for the research group which includes the effects of the different types of carbon used, the temperature, and the length of time allowed for the adsorption equilibrium to be established; and P is an index parameter for the flatness of the molecule. P is defined to be unity if there is an aromatic system in the molecule or if there is a double bond or series of conjugated double bonds with no more that one non-hydrogen atom beyond the double bond and zero otherwise. A slightly better fit is obtained if the two-thirds power of Vi is used as a measure of the surface area in place of the volume term:  log K = −1.75 + 0.227V2/3 − 1.10β + D + 0.60P with R = 0.954, s = 0.49, n = 353, and F = 895.39. This is the first quantitative measure of the effect of the shape of the molecule on its tendency to be adsorbed on activated carbon.

  4. Traceable mean activity coefficients and osmotic coefficients in aqueous magnesium chloride solutions at T = 298.15 K up to a molality of 3.0 mol · kg−1

    International Nuclear Information System (INIS)

    Partanen, Jaakko I.

    2013-01-01

    Highlights: • This work reports new equations for thermodynamic activity quantities in aqueous MgCl 2 solutions. • The new equations are functionally the same as those obtained previously solutions of CaCl 2 and uni-univalent electrolytes. • The new activity and osmotic coefficients are fully traceable and transparent. • These new values were tested thoroughly with existing literature data. -- Abstract: The Hückel equation used in this study for the thermodynamic activity quantities in dilute MgCl 2 solutions up to an ionic strength (=I m ) of 1.5 mol · kg −1 contains two parameters being dependent on the electrolyte, i.e., those of B and b 1 . The former is linearly related to the ion-size parameter in the Debye–Hückel equation and the latter is the coefficient of the linear correction term with respect to the molality. For more concentrated solutions up to I m of 9.0 mol · kg −1 , an extended Hückel equation was used. For it, the Hückel equation was extended with a quadratic term in molality, and the coefficient of this term is the third parameter b 2 . Parameters B and b 1 for dilute MgCl 2 solutions were obtained from the isopiestic data of Robinson and Stokes for solutions of this salt and KCl [Trans. Faraday Soc. 36 (1940) 733] by using the previous Hückel parameters for dilute KCl solutions [J. Chem. Eng. Data 54 (2009) 208]. The resulting parameters for MgCl 2 solutions were successfully tested with all isopiestic data available in the literature for dilute solutions of this salt. For less dilute solutions, new values for parameters b 1 and b 2 were determined for the extended version of the Hückel equation of MgCl 2 solutions from the isopiestic data of Rard and Miller [J. Chem. Eng. Data 26 (1981) 38] for NaCl and MgCl 2 solutions but the dilute-solution value for parameter B was used. The previous extended Hückel equation for concentrated NaCl solutions was used in this estimation (see the KCl citation above). In the tests of the

  5. Activity coefficients, interfacial tensions and retention in reversed-phase liquid chormatography on LiChrosorb RP-18 with methanol-water mixtures

    NARCIS (Netherlands)

    Hammers, W.E.; Meurs, G.J.; Ligny, C.L. de

    1982-01-01

    Literature data on activity coefficients of various solutes in water, of some tetraalkyl compounds in methanol-water mixture and of water in organic solvents have been correlated with the product of the molecular surface area of the solute and the solute-solvent interfacial tension at ambient

  6. Vapor pressures and activity coefficients of binary mixtures of 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide with acetonitrile and tetrahydrofuran

    International Nuclear Information System (INIS)

    Safarov, Javid; Geppert-Rybczyńska, Monika; Hassel, Egon; Heintz, Andreas

    2012-01-01

    Highlights: ► A new apparatus for the determination of VLE is presented. ► The first vapor pressures for binary mixtures containing aprotic solvents in IL are reported. ► Calculated activity coefficients and osmotic coefficients reveal a strong non-ideal behavior. ► A more detailed study of the highly diluted IL concentration range is necessary to test the Debye–Hückel law. - Abstract: A new apparatus for the determination of VLE has been constructed which works for absolute pressure measurements as well as for measuring differential pressures. The first results obtained are (vapor + liquid) equilibria (VLE) of binary mixtures containing acetonitrile or tetrahydrofuran and the ionic liquid (IL) 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide [EMIm][NTf2] by using the absolute pressures method. VLE measurements were carried out over the whole concentration range at four different temperatures between 293.15 K and 313.15 K. Activity coefficients (γ 1 ) of the solvents in [EMIm][NTf2] and their osmotic coefficients (φ 1 ) have been determined from the VLE data.

  7. Measurements of activity coefficients at infinite dilution for organic solutes and water in the ionic liquid 1-hexyl-3-methylimidazolium tetracyanoborate

    International Nuclear Information System (INIS)

    Domańska, Urszula; Lukoshko, Elena Vadimovna; Wlazło, Michał

    2012-01-01

    Highlights: ► Measurements of activity coefficients at infinite dilution using GLC. ► Fifty-nine organic solvents and water in the ionic liquid 1-hexyl-3-methylimidazolium tetracyanoborate, [HMIM][TCB]. ► Possible entrainer for different separation processes. ► The excess thermodynamic functions and the gas–liquid partition coefficients were calculated. - Abstract: The activity coefficients at infinite dilution, γ 13 ∞ , for 59 solutes, including alkanes, cycloalkanes, alkenes, alkynes, aromatic hydrocarbons, alcohols, water, acetic acid, thiophene, ethers, ketones, esters, butanal 4, and acetonitrile in the ionic liquid 1-hexyl-3-methylimidazolium tetracyanoborate, [HMIM][TCB], were determined by gas–liquid chromatography at six temperatures over the range (318.15 to 368.15) K. The partial molar excess Gibbs free energies ΔG 1 E,∞ , enthalpies ΔH 1 E,∞ , and entropies ΔS 1 E,∞ at infinite dilution were calculated from the experimental γ 13 ∞ values obtained over the temperature range. The gas–liquid partition coefficients, K L were calculated for all solutes. The selectivities for different separation problems were calculated from γ 13 ∞ and compared to literature values for N-methyl-2-pyrrolidinone (NMP), sulfolane, and other tetracyanoborate-based ionic liquids. The densities of [HMIM][TCB] within the temperature range from 318.15 K to 368.15 K were measured.

  8. Gas-particle partitioning of semi-volatile organics on organic aerosols using a predictive activity coefficient model: analysis of the effects of parameter choices on model performance

    Science.gov (United States)

    Chandramouli, Bharadwaj; Jang, Myoseon; Kamens, Richard M.

    The partitioning of a diverse set of semivolatile organic compounds (SOCs) on a variety of organic aerosols was studied using smog chamber experimental data. Existing data on the partitioning of SOCs on aerosols from wood combustion, diesel combustion, and the α-pinene-O 3 reaction was augmented by carrying out smog chamber partitioning experiments on aerosols from meat cooking, and catalyzed and uncatalyzed gasoline engine exhaust. Model compositions for aerosols from meat cooking and gasoline combustion emissions were used to calculate activity coefficients for the SOCs in the organic aerosols and the Pankow absorptive gas/particle partitioning model was used to calculate the partitioning coefficient Kp and quantitate the predictive improvements of using the activity coefficient. The slope of the log K p vs. log p L0 correlation for partitioning on aerosols from meat cooking improved from -0.81 to -0.94 after incorporation of activity coefficients iγ om. A stepwise regression analysis of the partitioning model revealed that for the data set used in this study, partitioning predictions on α-pinene-O 3 secondary aerosol and wood combustion aerosol showed statistically significant improvement after incorporation of iγ om, which can be attributed to their overall polarity. The partitioning model was sensitive to changes in aerosol composition when updated compositions for α-pinene-O 3 aerosol and wood combustion aerosol were used. The octanol-air partitioning coefficient's ( KOA) effectiveness as a partitioning correlator over a variety of aerosol types was evaluated. The slope of the log K p- log K OA correlation was not constant over the aerosol types and SOCs used in the study and the use of KOA for partitioning correlations can potentially lead to significant deviations, especially for polar aerosols.

  9. Towards single Ce ion detection in a bulk crystal for the development of a single-ion qubit readout scheme

    OpenAIRE

    Yan, Ying

    2013-01-01

    The work presented in this thesis was concerned with investigating the relevant spectroscopic properties of Ce ions randomly doped in an Y2SiO5 crystal at low temperatures (around 4 K), in order to develop a technique and an experimental set-up to detect the fluorescence photons emitted by a single Ce ion. The aim of the work was to determine whether a single Ce ion (referred to as the readout ion) can be used as a local probe to sense the quantum state of a neighbouring single-ion qubit via ...

  10. Phase diagrams of the ternary alloy with a single-ion anisotropy in the mean-field approximation

    International Nuclear Information System (INIS)

    Dely, J.; Bobak, A.

    2006-01-01

    The phase diagram of the AB p C 1-p ternary alloy consisting of Ising spins S A =32, S B =2, and S C =52 is investigated by the use of a mean-field theory based on the Bogoliubov inequality for the Gibbs free energy. The effect of the single-ion anisotropy on the phase diagrams is discussed by changing values of the parameters in the model Hamiltonian and comparison is made with the recently reported finite-temperature phase diagrams for the ternary alloy having spin S B =1

  11. The influence of elastic subsystem on phase transitions in ferromagnets with competitive exchange and single-ion anisotropies

    International Nuclear Information System (INIS)

    Freedman, Yu.A.; Klevets, F.N.; Matunin, D.A.

    2006-01-01

    The influence of planar and bulk elastic interactions on the phase states of an ultrathin ferromagnetic film with anisotropic exchange interaction is investigated for different relationships among the material constants. It is shown that when the elastic interactions, with competing exchange and single-ion anisotropies, and the magnetic dipole interaction are taken into account, a cascade of phase transitions appears. Furthermore, taking the 'planar' elastic interaction into account leads to realization of an additional phase, with an easy axis in the film plane. This state is absent in the case of a bulk elastic subsystem

  12. Determination of self-absorption coefficient in measurement of solid sample activity using 4π ionization chamber

    International Nuclear Information System (INIS)

    Dryak, P.

    1982-01-01

    Computation based on the Monte Carlo method was tested for a 4π cylindrical ionization chamber with a detection volume of 7 litres, filled with argon. The sources are placed in the geometrical centre. The correction coefficient for self-absorption was determined as being the ratio of ionization currents induced by a source of finite size and by a massless point source. A flowchart of the program is given. The computations were experimentally tested for cylindrical sources of aqueous 137 Cs and 57 Co solutions. (M.D.)

  13. Network type sp3 boron-based single-ion conducting polymer electrolytes for lithium ion batteries

    Science.gov (United States)

    Deng, Kuirong; Wang, Shuanjin; Ren, Shan; Han, Dongmei; Xiao, Min; Meng, Yuezhong

    2017-08-01

    Electrolytes play a vital role in modulating lithium ion battery performance. An outstanding electrolyte should possess both high ionic conductivity and unity lithium ion transference number. Here, we present a facile method to fabricate a network type sp3 boron-based single-ion conducting polymer electrolyte (SIPE) with high ionic conductivity and lithium ion transference number approaching unity. The SIPE was synthesized by coupling of lithium bis(allylmalonato)borate (LiBAMB) and pentaerythritol tetrakis(2-mercaptoacetate) (PETMP) via one-step photoinitiated in situ thiol-ene click reaction in plasticizers. Influence of kinds and content of plasticizers was investigated and the optimized electrolytes show both outstanding ionic conductivity (1.47 × 10-3 S cm-1 at 25 °C) and high lithium transference number of 0.89. This ionic conductivity is among the highest ionic conductivity exhibited by SIPEs reported to date. Its electrochemical stability window is up to 5.2 V. More importantly, Li/LiFePO4 cells with the prepared single-ion conducting electrolytes as the electrolyte as well as the separator display highly reversible capacity and excellent rate capacity under room temperature. It also demonstrates excellent long-term stability and reliability as it maintains capacity of 124 mA h g-1 at 1 C rate even after 500 cycles without obvious decay.

  14. Single-ion triblock copolymer electrolytes based on poly(ethylene oxide) and methacrylic sulfonamide blocks for lithium metal batteries

    Science.gov (United States)

    Porcarelli, Luca; Aboudzadeh, M. Ali; Rubatat, Laurent; Nair, Jijeesh R.; Shaplov, Alexander S.; Gerbaldi, Claudio; Mecerreyes, David

    2017-10-01

    Single-ion conducting polymer electrolytes represent the ideal solution to reduce concentration polarization in lithium metal batteries (LMBs). This paper reports on the synthesis and characterization of single-ion ABA triblock copolymer electrolytes comprising PEO and poly(lithium 1-[3-(methacryloyloxy)propylsulfonyl]-1-(trifluoromethylsulfonyl)imide) blocks, poly(LiMTFSI). Block copolymers are prepared by reversible addition-fragmentation chain transfer polymerization, showing low glass transition temperature (-55 to 7 °C) and degree of crystallinity (51-0%). Comparatively high values of ionic conductivity are obtained (up to ≈ 10-4 S cm-1 at 70 °C), combined with a lithium-ion transference number close to unity (tLi+ ≈ 0.91) and a 4 V electrochemical stability window. In addition to these promising features, solid polymer electrolytes are successfully tested in lithium metal cells at 70 °C providing long lifetime up to 300 cycles, and stable charge/discharge cycling at C/2 (≈100 mAh g-1).

  15. A Nanophase-Separated, Quasi-Solid-State Polymeric Single-Ion Conductor: Polysulfide Exclusion for Lithium–Sulfur Batteries

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Jinhong; Song, Jongchan; Lee, Hongkyung; Noh, Hyungjun; Kim, Yun-Jung; Kwon, Sung Hyun; Lee, Seung Geol; Kim, Hee-Tak

    2017-04-19

    Formation of soluble polysulfide (PS), which is a key feature of lithium sulfur (Li–S) batteries, provides a fast redox kinetic based on a liquid–solid mechanism; however, it imposes the critical problem of PS shuttle. Here, we address the dilemma by exploiting a solvent-swollen polymeric single-ion conductor (SPSIC) as the electrolyte medium of the Li–S battery. The SPSIC consisting of a polymeric single-ion conductor and lithium salt-free organic solvents provides Li ion hopping by forming a nanoscale conducting channel and suppresses PS shuttle according to the Donnan exclusion principle when being employed for Li–S batteries. The organic solvents at the interface of the sulfur/carbon composite and SPSIC eliminate the poor interfacial contact and function as a soluble PS reservoir for maintaining the liquid–solid mechanism. Furthermore, the quasi-solid-state SPSIC allows the fabrication of a bipolar-type stack, which promises the realization of a high-voltage and energy-dense Li–S battery.

  16. Efficacy Coefficients Determined Using Nail Permeability and Antifungal Activity in Keratin-Containing Media Are Useful for Predicting Clinical Efficacies of Topical Drugs for Onychomycosis.

    Directory of Open Access Journals (Sweden)

    Yoshiki Matsuda

    Full Text Available Onychomycosis is difficult to treat topically due to the deep location of the infection under the densely keratinized nail plate. In order to obtain an in vitro index that is relevant to the clinical efficacy of topical anti-onychomycosis drugs, we profiled five topical drugs: amorolfine, ciclopirox, efinaconazole, luliconazole, and terbinafine, for their nail permeabilities, keratin affinities, and anti-dermatophytic activities in the presence of keratin. Efinaconazole and ciclopirox permeated full-thickness human nails more deeply than luliconazole. Amorolfine and terbinafine did not show any detectable permeation. The free-drug concentration of efinaconazole in a 5% human nail keratin suspension was 24.9%, which was significantly higher than those of the other drugs (1.1-3.9%. Additionally, efinaconazole was released from human nail keratin at a greater proportion than the other drugs. The MICs of the five drugs for Trichophyton rubrum were determined at various concentrations of keratin (0-20% in RPMI 1640 medium. The MICs of ciclopirox were not affected by keratin, whereas those of efinaconazole were slightly increased and those of luliconazole and terbinafine were markedly increased in the presence of 20% keratin. Efficacy coefficients were calculated using the nail permeation flux and MIC in media without or with keratin. Efinaconazole showed the highest efficacy coefficient, which was determined using MIC in media with keratin. The order of efficacy coefficients determined using MIC in keratin-containing media rather than keratin-free media was consistent with that of complete cure rates in previously reported clinical trials. The present study revealed that efficacy coefficients determined using MIC in keratin-containing media are useful for predicting the clinical efficacies of topical drugs. In order to be more effective, topical drugs have to possess higher efficacy coefficients.

  17. The Atmospherically Important Reaction of Hydroxyl Radicals with Methyl Nitrate: A Theoretical Study Involving the Calculation of Reaction Mechanisms, Enthalpies, Activation Energies, and Rate Coefficients.

    Science.gov (United States)

    Ng, Maggie; Mok, Daniel K W; Lee, Edmond P F; Dyke, John M

    2017-09-07

    A theoretical study, involving the calculation of reaction enthalpies, activation energies, mechanisms, and rate coefficients, was made of the reaction of hydroxyl radicals with methyl nitrate, an important process for methyl nitrate removal in the earth's atmosphere. Four reaction channels were considered: formation of H 2 O + CH 2 ONO 2 , CH 3 OOH + NO 2 , CH 3 OH + NO 3 , and CH 3 O + HNO 3 . For all channels, geometry optimization and frequency calculations were performed at the M06-2X/6-31+G** level, while relative energies were improved at the UCCSD(T*)-F12/CBS level. The major channel is found to be the H abstraction channel, to give the products H 2 O + CH 2 ONO 2 . The reaction enthalpy (ΔH 298 K RX ) of this channel is computed as -17.90 kcal mol -1 . Although the other reaction channels are also exothermic, their reaction barriers are high (>24 kcal mol -1 ), and therefore these reactions do not contribute to the overall rate coefficient in the temperature range considered (200-400 K). Pathways via three transition states were identified for the H abstraction channel. Rate coefficients were calculated for these pathways at various levels of variational transition state theory including tunneling. The results obtained are used to distinguish between two sets of experimental rate coefficients, measured in the temperature range of 200-400 K, one of which is approximately an order of magnitude greater than the other. This comparison, as well as the temperature dependence of the computed rate coefficients, shows that the lower experimental values are favored. The implications of the results to atmospheric chemistry are discussed.

  18. Isopiestic determination of the osmotic and activity coefficients of the {yKCl + (1 - y)K2HPO4}(aq) system at T = 298.15 K

    International Nuclear Information System (INIS)

    Popovic, Daniela Z.; Miladinovic, Jelena; Todorovic, Milica D.; Zrilic, Milorad M.; Rard, Joseph A.

    2011-01-01

    Highlights: → Isopiestic measurements were made for {yKCl + (1 - y)K 2 HPO 4 }(aq) at T = 298.15 K. → The resulting osmotic coefficients were represented by three thermodynamic models. → Activity coefficients from Pitzer model with Scatchard mixing terms are recommended. - Abstract: The osmotic coefficients of aqueous mixtures of KCl and K 2 HPO 4 have been measured at T = (298.15 ± 0.01) K by the isopiestic vapor pressure method over the range of ionic strengths from (2.3700 to 11.250) mol . kg -1 using CaCl 2 (aq) as the reference solution. Our new experimental results were modeled with an extended form of Pitzer's ion-interaction model equations, both with the usual mixing terms and with Scatchard's neutral-electrolyte mixing terms, and with the Clegg-Pitzer-Brimblecombe equations based on the mole-fraction-composition scale. There is a dearth of previously published isopiestic data for mixtures containing salts of HPO 4 2- (aq) and, consequently, no previous measurements are available for comparison with the present results. The present study yields Cl - HPO 4 2- mixing parameters for these three models that are needed for modeling the thermodynamic activities of solute components of natural waters and other complex aqueous electrolyte mixtures.

  19. Activity coefficients at infinite dilution and physicochemical properties for organic solutes and water in the ionic liquid 4-(2-methoxyethyl)-4-methylmorpholinium bis(trifluoromethylsulfonyl)-amide

    International Nuclear Information System (INIS)

    Marciniak, Andrzej; Wlazło, Michał

    2012-01-01

    The activity coefficients at infinite dilution, γ 13 ∞ and gas–liquid partition coefficients, K L for 62 solutes: alkanes, alkenes, alkynes, cycloalkanes, aromatic hydrocarbons, alcohols, thiophene, ethers, ketones, esters, 1-nitropropane, butanal, acetonitrile, acetic acid and water in the ionic liquid 4-(2-methoxyethyl)-4-methylmorpholinium bis(trifluoromethylsulfonyl)-amide were determined by gas–liquid chromatography at the temperatures from (318.15 to 368.15) K. The partial molar excess Gibbs free energies ΔG 1 E,∞ , enthalpies ΔH 1 E,∞ and entropies ΔS 1 E,∞ at infinite dilution were calculated from the experimental γ 13 ∞ values obtained over the temperature range. The selectivities for selected compounds which form azeotropic mixtures were calculated from the γ 13 ∞ and compared to the literature values for other ionic liquids based on bis(trifluoromethylsulfonyl)-amide anion.

  20. Thermodynamics and activity coefficients at infinite dilution measurements for organic solutes and water in the ionic liquid 1-butyl-1-methylpyrrolidinium tetracyanoborate

    Energy Technology Data Exchange (ETDEWEB)

    Domanska, Urszula, E-mail: ula@ch.pw.edu.pl [Department of Physical Chemistry, Faculty of Chemistry, Warsaw University of Technology, Noakowskiego 3, 00-664 Warsaw (Poland); Thermodynamic Research Unit, School of Chemical Engineering, University of KwaZulu-Natal, Howard College Campus, King George V Avenue, Durban 4001 (South Africa); Krolikowski, Marek [Department of Physical Chemistry, Faculty of Chemistry, Warsaw University of Technology, Noakowskiego 3, 00-664 Warsaw (Poland); Acree, William E. [Department of Chemistry, 1155 Union Circle Drive 305070, University of North Texas, Denton, TX 76203-5017 (United States)

    2011-12-15

    Highlights: > Measurements of activity coefficients at infinite dilution using GLC. > Forty-five solvents in the IL 1-butyl-1-methylpyrrolidinium tetracyanoborate, [BMPYR][TCB]. > Possible entrainer for different separation processes. > The gas-liquid partition coefficients, K{sub L} were calculated. > The Abraham solvation parameter model was discussed. - Abstract: The activity coefficients at infinite dilution, {gamma}{sub 13}{sup {infinity}}, for 45 solutes, including alkanes, cycloalkanes, alkenes, alkynes, aromatic hydrocarbons, alcohols, thiophene, tetrahydrofuran, ethers, acetone, and water, in the ionic liquid 1-butyl-1-methylpyrrolidinium tetracyanoborate, [BMPYR][TCB], were determined by gas-liquid chromatography at temperatures from 318.15 K to 368.15 K. The values of the partial molar excess Gibbs free energy {Delta}G{sub 1}{sup E,{infinity}}, enthalpy {Delta}H{sub 1}{sup E,{infinity}}, and entropy {Delta}S{sub 1}{sup E,{infinity}} at infinite dilution were calculated from the experimental {gamma}{sub 13}{sup {infinity}} values obtained over the temperature range. The gas-liquid partition coefficients, K{sub L} were calculated for all solutes and the Abraham solvation parameter model was discussed. The values of the selectivity for different separation problems were calculated from {gamma}{sub 13}{sup {infinity}} and compared to literature values for N-methyl-2-pyrrolidinone (NMP), sulfolane, 1-ethyl-3-methylimidazolium tetracyanoborate, [EMIM][TCB], 1-decyl-3-methylimidazolium tetracyanoborate, [DMIM][TCB], and similar ionic liquids. The densities of [BMPYR][TCB] in temperatures range from 318.15 K to 368.15 K, the temperature of fusion and the enthalpy of fusion were measured.

  1. Measurement of gas/water uptake coefficients for trace gases active in the marine environment. [Annual report

    Energy Technology Data Exchange (ETDEWEB)

    Davidovits, P. [Boston Coll., Chestnut Hill, MA (United States). Dept. of Chemistry; Worsnop, D.W.; Zahniser, M.S.; Kolb, C.E. [Aerodyne Research, Inc., Billerica, MA (United States). Center for Chemical and Environmental Physics

    1992-02-01

    Ocean produced reduced sulfur compounds including dimethylsulfide (DMS), hydrogen sulfide (H{sub 2}S), carbon disulfide (CS{sub 2}), methyl mercaptan (CH{sub 3}CH) and carbonyl sulfide (OCS) deliver a sulfur burden to the atmosphere which is roughly equal to sulfur oxides produced by fossil fuel combustion. These species and their oxidation products dimethyl sulfoxide (DMSO), dimethyl sulfone (DMSO{sub 2}) and methane sulfonic acid (MSA) dominate aerosol and CCN production in clean marine air. Furthermore, oxidation of reduced sulfur species will be strongly influenced by NO{sub x}/O{sub 3} chemistry in marine atmospheres. The multiphase chemical processes for these species must be understood in order to study the evolving role of combustion produced sulfur oxides over the oceans. We have measured the chemical and physical parameters affecting the uptake of reduced sulfur compounds, their oxidation products, ozone, and nitrogen oxides by the ocean`s surface, and marine clouds, fogs, and aerosols. These parameters include: gas/surface mass accommodation coefficients; physical and chemically modified (effective) Henry`s law constants; and surface and liquid phase reaction constants. These parameters are critical to understanding both the interaction of gaseous trace species with cloud and fog droplets and the deposition of trace gaseous species to dew covered, fresh water and marine surfaces.

  2. Feasibility of Influencing the Dynamic Fluid Film Coefficients of a Multirecess Journal Bearing by means of Active Hybrid Lubrication

    DEFF Research Database (Denmark)

    Santos, Ilmar; Watanabe, F. Y.

    2003-01-01

    The main objective of this research project is the investigation of multirecess hydrostatic journal bearings with active hybrid (hydrostatic and hydrodynamic) lubrication. This paper gives a theoretical contribution to the modeling of this kind of bearing, combining computational fluid dynamics...

  3. Hyperfine-Interaction-Driven Suppression of Quantum Tunneling at Zero Field in a Holmium(III) Single-Ion Magnet.

    Science.gov (United States)

    Chen, Yan-Cong; Liu, Jun-Liang; Wernsdorfer, Wolfgang; Liu, Dan; Chibotaru, Liviu F; Chen, Xiao-Ming; Tong, Ming-Liang

    2017-04-24

    An extremely rare non-Kramers holmium(III) single-ion magnet (SIM) is reported to be stabilized in the pentagonal-bipyramidal geometry by a phosphine oxide with a high energy barrier of 237(4) cm -1 . The suppression of the quantum tunneling of magnetization (QTM) at zero field and the hyperfine structures originating from field-induced QTMs can be observed even from the field-dependent alternating-current magnetic susceptibility in addition to single-crystal hysteresis loops. These dramatic dynamics were attributed to the combination of the favorable crystal-field environment and the hyperfine interactions arising from 165 Ho (I=7/2) with a natural abundance of 100 %. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. Hyperfine-interaction-driven suppression of quantum tunneling at zero field in a holmium(III) single-ion magnet

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Yan-Cong; Liu, Jun-Liang; Chen, Xiao-Ming; Tong, Ming-Liang [Key Lab. of Bioinorganic and Synthetic Chemistry of Ministry of Education, School of Chemistry, Sun Yat-Sen Univ., Guangzhou (China); Wernsdorfer, Wolfgang [Institut Neel, CNRS and Universite Joseph Fournier, Grenoble (France); Institute of Nanotechnology, Karlsruhe Institute of Technology (Germany); Physikalisches Institut, Karlsruhe Institute of Technology (Germany); Liu, Dan; Chibotaru, Liviu F. [Theory of Nanomaterials Group and INPAC-Institute of Nanoscale Physics and Chemistry, Katholieke Universiteit Leuven (Belgium)

    2017-04-24

    An extremely rare non-Kramers holmium(III) single-ion magnet (SIM) is reported to be stabilized in the pentagonal-bipyramidal geometry by a phosphine oxide with a high energy barrier of 237(4) cm{sup -1}. The suppression of the quantum tunneling of magnetization (QTM) at zero field and the hyperfine structures originating from field-induced QTMs can be observed even from the field-dependent alternating-current magnetic susceptibility in addition to single-crystal hysteresis loops. These dramatic dynamics were attributed to the combination of the favorable crystal-field environment and the hyperfine interactions arising from {sup 165}Ho (I=7/2) with a natural abundance of 100 %. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

  5. The activity of γ-emitters as measured by ionisation chambers the determination of the specific emission coefficient γ for some radio-elements (1961)

    International Nuclear Information System (INIS)

    Engelmann, J.

    1962-06-01

    The object of this work is to study techniques of measurement using the gamma ionisation chamber, making it possible either to measure the activities of radioactive sources, or to determine the specific emission coefficient γ (or the coefficient K) of a given radioelement. The ionisation chambers studied belong to two categories: graphites cavity-chambers, and 4 π γ chambers. For the cavity-chamber measurements, the different correction factors of which account must be taken have been calculated, in particular the geometric and hygrometric corrections. The absorption and auto-absorption corrections have led to the introduction of the notion of the 'effective energy γ' of a radioelement. In the case of 4 π γ chambers, it has been shown that appropriately shaped electrodes make it possible to improve their performances. One of the chambers described permits the measurement of β emitters using the associated Bremsstrahlung. In order to measure the K coefficient of some radioelements, it has been found useful a 4 π γ chamber with graphite walls, the measurement being carried out by comparison with a radium standard. The validity of the method was checked with radioelements for whom the K coefficient values are well-known ( 24 Na, 60 Co, 131 I, 198 Au). For other radioelements, the following values were obtained (expressed in r cm 3 mc -1 h -1 ): 51 Cr: 0,18; 56 Mn: 8,8; 65 Zn: 3,05; 124 Sb: 9,9; 134 Cs: 9,3; 137 Cs: 3,35; 141 Ce: 0,46; 170 Tm: 0,023; 192 Ir: 24,9; 203 Hg: 1,18; These values have been corrected for the contribution to the dose of the fluorescent radiation which may be emitted by the source, except in the case of Tm 170 . In the last part of this work, the performances of the different electro-metric devices used were compared. (author) [fr

  6. Activity coefficients at infinite dilution and physicochemical properties for organic solutes and water in the ionic liquid 1-(2-hydroxyethyl)-3-methylimidazolium trifluorotris(perfluoroethyl)phosphate

    International Nuclear Information System (INIS)

    Marciniak, Andrzej; Wlazło, Michał

    2013-01-01

    Highlights: • γ ∞ and K L for 65 solutes in the IL [C 2 OHmim][FAP] were determined by IGC. • Partial molar thermodynamics functions ΔG 1 E,∞ , ΔH 1 E,∞ and ΔS 1 E,∞ were calculated. • Selectivities and capacities for alkanes/thiophene separation problems were calculated. • LFER system constants as a function of T for [C 2 OHmim][FAP] were calculated. • Results were compared to other ILs based on the same cation and anion. -- Abstract: This work presents new data of activity coefficients at infinite dilution, γ ∞ of different organic solutes and water in the 1-(2-hydroxyethyl)-3-methylimidazolium trifluorotris(perfluoroethyl)phosphate, [C 2 OHmim][FAP] ionic liquid. Values of γ ∞ were determined for 65 organic solutes, including alkanes, alkenes, alkynes, cycloalkanes, aromatic hydrocarbons, alcohols, thiophene, ethers, ketones, esters, 1-nitropropane, aldehydes, acetonitrile and water by inverse gas chromatography within the temperature range from (318.15 to 368.15) K. The basic thermodynamic functions, such as partial molar excess Gibbs energies, ΔG 1 E,∞ , enthalpies, ΔH 1 E,∞ and entropies, ΔS 1 E,∞ at infinite dilution were calculated from the experimental γ ∞ values obtained over the temperature range. Additionally the gas–liquid partition coefficients, K L were determined. Experimental values of gas–liquid partition coefficients were used to determine the coefficients in the Abraham solvation parameter model (LFER). Results are compared to previously investigated ionic liquids with the same [C 2 OHmim] + cation and [FAP] − anion. The selectivity and capacity at infinite dilution for alkanes/thiophene extraction problems were calculated from experimental γ ∞ values to verify the possibility of investigated ionic liquid as an entrainer in liquid–liquid extraction

  7. Effect of particle size on dc conductivity, activation energy and diffusion coefficient of lithium iron phosphate in Li-ion cells

    Directory of Open Access Journals (Sweden)

    T.V.S.L. Satyavani

    2016-03-01

    Full Text Available Cathode materials in nano size improve the performance of batteries due to the increased reaction rate and short diffusion lengths. Lithium Iron Phosphate (LiFePO4 is a promising cathode material for Li-ion batteries. However, it has its own limitations such as low conductivity and low diffusion coefficient which lead to high impedance due to which its application is restricted in batteries. In the present work, increase of conductivity with decreasing particle size of LiFePO4/C is studied. Also, the dependence of conductivity and activation energy for hopping of small polaron in LiFePO4/C on variation of particle size is investigated. The micro sized cathode material is ball milled for different durations to reduce the particle size to nano level. The material is characterized for its structure and particle size. The resistivities/dc conductivities of the pellets are measured using four probe technique at different temperatures, up to 150 °C. The activation energies corresponding to different particle sizes are calculated using Arrhenius equation. CR2032 cells are fabricated and electrochemical characteristics, namely, ac impedance and diffusion coefficients, are studied.

  8. Thermodynamics and activity coefficients at infinite dilution for organic solutes, water and diols in the ionic liquid choline bis(trifluoromethylsulfonyl)imide

    International Nuclear Information System (INIS)

    Domańska, Urszula; Papis, Paulina; Szydłowski, Jerzy

    2014-01-01

    Graphical abstract: - Highlights: • Measurements of activity coefficients at infinite dilution using GLC. • 63 Solvents including water and 6 diols in the ionic liquid choline bis(trifluoromethylsulfonyl)imide. • High selectivity for thiophene/heptane and pyridine/heptane separation. • The excess thermodynamic functions and the (gas + liquid) partition coefficients were calculated. - Abstract: The activity coefficients at infinite dilution, γ 13 ∞ , for 63 solutes, including alkanes, cycloalkanes, alkenes, alkynes, aromatic hydrocarbons, alcohols, water, thiophene, ethers, ketones, esters, aldehyde, acetonitrile, pyridine and 1-nitropropane and 6 diols in the ionic liquid (IL) choline bis(trifluoromethylsulfonyl)imide, [N 1112OH ][NTf 2 ] were determined by (gas + liquid) chromatography at six temperatures in range of (318.15 to 368.15) K and at three temperatures for diols in the range of (388.15 to 418.15) K. The thermodynamic functions at infinite dilution as partial molar excess Gibbs free energy, ΔG 1 E,∞ , enthalpy ΔH 1 E,∞ , and entropy term T ref ΔS 1 E,∞ were calculated from the experimental γ 13 ∞ values obtained over the temperature range. The density of [N 1112OH ][NTf 2 ] was measured within temperature range (313.15 to 353.15) K. The (gas + liquid) partition coefficient K L was calculated for all solutes. The values of selectivity and capacity for a few separation problems as hexane/benzene, cyclohexane/benzene, heptane/thiophene at T = 328.15 K were calculated from γ 13 ∞ and compared to literature values for similar ionic liquids, N-methyl-2-pyrrolidinone (NMP), and sulfolane. In comparison with the former measured ammonium-based ILs and the morpholinium-based ILs, the [N 1112OH ][NTf 2 ] shows average selectivity for the separation of aromatic hydrocarbons, or sulfur compound from aliphatic hydrocarbons, and very high selectivity for pyridine/heptane separation. New data show that [N 1112OH ][NTf 2 ] IL may be proposed as

  9. Enzymatically mediated bioprecipitation of heavy metals from industrial wastes and single ion solutions by mammalian alkaline phosphatase.

    Science.gov (United States)

    Chaudhuri, Gouri; Shah, Gaurav A; Dey, Pritam; S, Ganesh; Venu-Babu, P; Thilagaraj, W Richard

    2013-01-01

    The study was aimed at investigating the potential use of calf intestinal alkaline phosphatase (CIAP) enzyme in the removal of heavy metals (Cd(2+), Ni(2+), Co(2+) and Cr(3+/6+)) from single ion solutions as well as tannery and electroplating effluents. CIAP mediated bioremediation (white biotechnology) is a novel technique that is eco-friendly and cost effective unlike the conventional chemical technologies. Typical reactions containing the enzyme (CIAP) and p-nitrophenyl phosphate (pNPP) as substrate in Tris-HCl buffer (pH 8 and 11) and either single ion metal solutions (250 ppm and 1000 ppm) or effluents from tannery or electroplating industry were incubated at 37°C for 30 min, 60 min and 120 min. The inorganic phosphate (P(i)) generated due to catalytic breakdown of pNPP complexes free metal ions as metal-phosphate and the amount of metal precipitated was derived by estimating the reduction in the free metal ion present in the supernatant of reactions employing atomic absorption spectrophotometer (AAS). Better precipitation of metal was obtained at pH 11 than at pH 8 and between the two concentrations of different metals tested, an initial metal concentration of 250 ppm in the reaction gave more precipitation than with 1000 ppm. Experimental data showed that at pH 11, the percentage of removal of metal ions (for an initial concentration of 250 ppm) was in the following order: Cd(2+) (80.99%) > Ni(2+) (64.78%) > Cr(3+) > (46.15%) > Co(2+) (36.47%) > Cr(6+) (32.33%). The overall removal of Cr(3+) and Cr(6+) from tannery effluent was 32.77% and 37.39% respectively in 120 min at pH 11. Likewise, the overall removal of Cd(2+), Co(2+) and Ni(2+) from electroplating effluent was 50.42%, 13.93% and 38.64% respectively in 120 min at pH 11. The study demonstrates that bioprecipitation by CIAP may be a viable and environmental friendly method for clean-up of heavy metals from tannery and electroplating effluents.

  10. Designing Single-Ion Magnets and Phosphorescent Materials with 1-Methylimidazole-5-carboxylate and Transition-Metal Ions.

    Science.gov (United States)

    García-Valdivia, Antonio A; Seco, Jose M; Cepeda, Javier; Rodríguez-Diéguez, Antonio

    2017-11-20

    Detailed structural, magnetic, and photoluminescence (PL) characterization of four new compounds based on 1-methylimidazole-5-carboxylate (mimc) ligand and transition metal ions, namely [Ni(mimc) 2 (H 2 O) 4 ] (1), [Co(μ-mimc) 2 ] n (2), {[Cu 2 (μ-mimc) 4 (H 2 O)]·2H 2 O} n (3), and [Cd(μ-mimc) 2 (H 2 O)] n (4) is reported. The structural diversity found in the family of compounds derives from the coordination versatility of the ligand, which coordinates as a terminal ligand to give a supramolecular network of monomeric entities in 1 or acts as a bridging linker to build isoreticular 2D coordination polymers (CPs) in 2-4. Magnetic direct-current (dc) susceptibility data have been measured for compounds 1-3 to analyze the exchange interactions among paramagnetic centers, which have been indeed supported by calculations based on broken symmetry (BS) and density functional theory (DFT) methodology. The temperature dependence of susceptibility and magnetization data of 2 are indicative of easy-plane anisotropy (D = +12.9 cm -1 , E = +0.5 cm -1 ) that involves a bistable M s = ±1/2 ground state. Alternating-current (ac) susceptibility curves exhibit field-induced single-ion magnet (SIM) behavior that occurs below 14 K, which is characterized by two spin relaxation processes of distinct nature: fast relaxation of single ions proceeding through multiple mechanisms (U eff = 26 K) and a slow relaxation attributed to interactions along the polymeric crystal building. Exhaustive PL analysis of compound 4 in the solid state confirms low-temperature phosphorescent green emission consisting of radiative lifetimes in the range of 0.25-0.43 s, which explains the afterglow observed during about 1 s after the removal of the UV source. Time-dependent DFT and computational calculations to estimate phosphorescent vertical transitions have been also employed to provide an accurate description of the PL performance of this long-lasting phosphor.

  11. Activity coefficients at infinite dilution and physicochemical properties for organic solutes and water in the ionic liquid 1-(2-methoxyethyl)-1-methylpiperidinium bis(trifluoromethylsulfonyl)-amide

    International Nuclear Information System (INIS)

    Marciniak, Andrzej; Wlazło, Michał

    2012-01-01

    Highlights: The and KL for 61 solutes in the ionic liquid [COC2mPIP][NTf2] were determined by IGC at different temperatures. ► The partial molar excess Gibbs energies, enthalpies and entropies at infinite dilution were calculated. ► The selectivities for selected compounds which form azeotropic mixtures were calculated and compared to other ILs. ► LFER system constants as a function of temperature for [COC2mPIP][NTf2] were calculated. - Abstract: The activity coefficients at infinite dilution, γ ∞ and gas–liquid partition coefficients, K L for 61 solutes: alkanes, alkenes, alkynes, cycloalkanes, aromatic hydrocarbons, alcohols, thiophene, ethers, ketones, esters, 1-nitropropane, butanal, acetonitrile, and water in the ionic liquid 1-(2-methoxyethyl)-1-methylpiperidinium bis(trifluoromethylsulfonyl)-amide were determined by inverse gas chromatography at the temperatures from (318.15 to 368.15) K. The partial molar excess Gibbs free energies ΔG 1 E,∞ , enthalpies ΔH 1 E,∞ and entropies ΔS 1 E,∞ at infinite dilution were calculated from the experimental γ ∞ values obtained over the temperature range. The selectivities for selected compounds, which form azeotropic mixtures, were calculated from the γ ∞ and compared to the literature values for other ionic liquids based on bis(trifluoromethylsulfonyl)-amide anion.

  12. MeV single-ion beam irradiation of mammalian cells using the Surrey vertical nanobeam, compared with broad proton beam and X-ray irradiations

    Science.gov (United States)

    Prakrajang, K.; Jeynes, J. C. G.; Merchant, M. J.; Kirkby, K.; Kirkby, N.; Thopan, P.; Yu, L. D.

    2013-07-01

    As a part of a systematic study on mechanisms involved in physical cancer therapies, this work investigated response of mammalian cells to ultra-low-dose ion beam irradiation. The ion beam irradiation was performed using the recently completed nanobeam facility at the Surrey Ion Beam Centre. A scanning focused vertical ion nano-beam was applied to irradiate Chinese hamster V79 cells. The V79 cells were irradiated in two different beam modes, namely, focused single ion beam and defocused scanning broad ion beam of 3.8-MeV protons. The single ion beam was capable of irradiating a single cell with a precisely controlled number of the ions to extremely low doses. After irradiation and cell incubation, the number of surviving colonies as a function of the number of the irradiating ions was measured for the cell survival fraction curve. A lower survival for the single ion beam irradiation than that of the broad beam case implied the hypersensitivity and bystander effect. The ion-beam-induced cell survival curves were compared with that from 300-kV X-ray irradiation. Theoretical studies indicated that the cell death in single ion irradiation mainly occurred in the cell cycle phases of cell division and intervals between the cell division and the DNA replication. The success in the experiment demonstrated the Surrey vertical nanobeam successfully completed.

  13. Erratum : Critical Properties of Spin-1 Antiferromagnetic Heisenberg Chains with Bond Alternation and Uniaxial Single-Ion-Type Anisotropy (vol 69, pg 237, 2000)

    OpenAIRE

    Chen, Wei; 飛田, 和男; Sanctuary, Bryan C.

    2008-01-01

    Original Paper :Critical Properties of Spin-1 Antiferromagnetic Heisenberg Chains with Bond Alternation and Uniaxial Single-Ion-Type AnisotropyWei Chen, Kazuo Hida and Bryan Clifford Sanctuary Journal of the Physical Society of Japan 69 (2000) pp.237-241

  14. Modulational instability and localized modes in Heisenberg ferromagnetic chains with single-ion easy-axis anisotropy

    Energy Technology Data Exchange (ETDEWEB)

    Tang, Bing, E-mail: bingtangphy@jsu.edu.cn; Li, Guang-Ling; Fu, Mei

    2017-03-15

    A semiclassical theoretical study on the property of the modulational instability of corresponding linear spin-waves and the presence of nonlinear localized excitations in a discrete quantum ferromagnetic spin chain with single-ion easy-axis anisotropy is reported. We consider the Glauber coherent-state representation combined with the Dyson-Maleev transformation for local spin operators as the basic representation of the system, and derive the equation of motion by means of the Ehrenfest theorem. Using a modulational instability analysis of plane waves, we predict the existence regions of bright envelope solitons and intrinsic localized spin-wave modes. Besides, with the help of a semidiscrete multi-scale method, we obtain analytical solutions for the bright envelope soliton and intrinsic localized spin-wave mode. Moreover, we analyze their existence conditions, which agree with the results of modulational instability analysis. - Highlights: • The anisotropy plays significant role in both the property of the modulational instability and the existence conditions for localized modes in ferromagnetic chains. • The analytical solutions of localized modes are obtained. • The appearance conditions for such localized modes agree with the modulational instability analysis.

  15. Charge transport and glassy dynamics of poly(ethylene oxide)-based single-ion conductors under geometrical confinement

    Science.gov (United States)

    Runt, James; Iacob, Ciprian

    2015-03-01

    Segmental and local dynamics as well as charge transport are investigated in a series of poly(ethylene oxide)-based single-ion conductors (ionomers) with varying counterions (Li +, Na +) confined in uni-directional nanoporous silica membranes. The dynamics are explored over a wide frequency and temperature range by broadband dielectric relaxation spectroscopy. Slowing of segmental dynamics and a decrease in dc conductivity (strongly coupled with segmental relaxation) of the confined ionomers are associated with surface effects - resulting from interfacial hydrogen bonding between the host nanoporous silica membrane and the guest ionomers. These effects are significantly reduced or eliminated upon pore surface modification through silanization. The primary transport properties for the confined ionomers decrease by about one decade compared to the bulk ionomer. A model assuming reduced mobility of an adsorbed layer at the pore wall/ionomer interface is shown to provide a quantitative explanation for the decrease in effective transport quantities in non-silanized porous silica membranes. Additionally, the effect of confinement on ion aggregation in ionomers by using X-ray scattering will also be discussed. Supported by the National Science Foundation, Polymers Program.

  16. Secondary electron emission from boron-doped diamond under ion impact: Applications in single-ion detection

    International Nuclear Information System (INIS)

    Kamiya, T.; Cholewa, M.; Saint, A.; Prawer, S.; Legge, G.J.; Butler, J.E.; Vestyck, D.J. , Jr.

    1997-01-01

    The secondary electron emission from a 2 μm thick boron-doped diamond film under ion (4.6 endash 7.7 MeV He + )impact is reported. The yield under ions impact is found to be remarkably high, stable over a period of many months, and independent of which side of the film (i.e., growth or substrate side) is exposed to the ion flux. By taking advantage of the high secondary-electron yield, the passage of each ion through the film could be detected with an efficiency of close to 100%, which to the best of our knowledge is the highest efficiency recorded to date for any thin-film window. This finding has an immediate application in single-ion irradiation systems where a thin vacuum window is required to allow extraction of an ion beam from the vacuum into air and at the same time offer 100% efficiency for the detection of the passage of the ion through the window. copyright 1997 American Institute of Physics

  17. Fine-tuning the local symmetry to attain record blocking temperature and magnetic remanence in a single-ion magnet.

    Science.gov (United States)

    Ungur, Liviu; Le Roy, Jennifer J; Korobkov, Ilia; Murugesu, Muralee; Chibotaru, Liviu F

    2014-04-22

    Remanence and coercivity are the basic characteristics of permanent magnets. They are also tightly correlated with the existence of long relaxation times of magnetization in a number of molecular complexes, called accordingly single-molecule magnets (SMMs). Up to now, hysteresis loops with large coercive fields have only been observed in polynuclear metal complexes and metal-radical SMMs. On the contrary, mononuclear complexes, called single-ion magnets (SIM), have shown hysteresis loops of butterfly/phonon bottleneck type, with negligible coercivity, and therefore with much shorter relaxation times of magnetization. A mononuclear Er(III) complex is presented with hysteresis loops having large coercive fields, achieving 7000 Oe at T=1.8 K and field variation as slow as 1 h for the entire cycle. The coercivity persists up to about 5 K, while the hysteresis loops persist to 12 K. Our finding shows that SIMs can be as efficient as polynuclear SMMs, thus opening new perspectives for their applications. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. MeV single-ion beam irradiation of mammalian cells using the Surrey vertical nanobeam, compared with broad proton beam and X-ray irradiations

    Energy Technology Data Exchange (ETDEWEB)

    Prakrajang, K. [Plasma and Beam Physics Research Facility, Department of Physics and Materials Science, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand); Faculty of Science, Maejo University, Chiang Mai 50290 (Thailand); Jeynes, J.C.G.; Merchant, M.J.; Kirkby, K.; Kirkby, N. [Surrey Ion Beam Center, Faculty of Engineering and Physical Science, University of Surrey, Guildford Surrey, GU2 7XH (United Kingdom); Thopan, P. [Plasma and Beam Physics Research Facility, Department of Physics and Materials Science, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand); Yu, L.D., E-mail: yuld@fnrf.science.cmu.ac.th [Plasma and Beam Physics Research Facility, Department of Physics and Materials Science, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand); Thailand Center of Excellence in Physics, Commission on Higher Education, 328 Si Ayutthaya Road, Bangkok 10400 (Thailand)

    2013-07-15

    Highlights: •Recently completed nanobeam at the Surrey Ion Beam Centre was used. •3.8-MeV single and broad proton beams irradiated Chinese hamster cells. •Cell survival curves were measured and compared with 300-kV X-ray irradiation. •Single ion irradiation had a lower survival part at ultra-low dose. •It implies hypersensitivity, bystander effect and cell cycle phase of cell death. -- Abstract: As a part of a systematic study on mechanisms involved in physical cancer therapies, this work investigated response of mammalian cells to ultra-low-dose ion beam irradiation. The ion beam irradiation was performed using the recently completed nanobeam facility at the Surrey Ion Beam Centre. A scanning focused vertical ion nano-beam was applied to irradiate Chinese hamster V79 cells. The V79 cells were irradiated in two different beam modes, namely, focused single ion beam and defocused scanning broad ion beam of 3.8-MeV protons. The single ion beam was capable of irradiating a single cell with a precisely controlled number of the ions to extremely low doses. After irradiation and cell incubation, the number of surviving colonies as a function of the number of the irradiating ions was measured for the cell survival fraction curve. A lower survival for the single ion beam irradiation than that of the broad beam case implied the hypersensitivity and bystander effect. The ion-beam-induced cell survival curves were compared with that from 300-kV X-ray irradiation. Theoretical studies indicated that the cell death in single ion irradiation mainly occurred in the cell cycle phases of cell division and intervals between the cell division and the DNA replication. The success in the experiment demonstrated the Surrey vertical nanobeam successfully completed.

  19. Effect of Silicon on Activity Coefficients of Siderophile Elements (P, Au, Pd, As, Ge, Sb, and In) in Liquid Fe, with Application to Core Formation

    Science.gov (United States)

    Righter, K.; Pando, K.; Danielson, L. R.; Humayun, M.; Righter, M.; Lapen, T.; Boujibar, A.

    2016-01-01

    Earth's core contains approximately 10 percent light elements that are likely a combination of S, C, Si, and O, with Si possibly being the most abundant. Si dissolved into Fe liquids can have a large effect on the magnitude of the activity coefficient of siderophile elements (SE) in Fe liquids, and thus the partitioning behavior of those elements between core and mantle. The effect of Si can be small such as for Ni and Co, or large such as for Mo, Ge, Sb, As. The effect of Si on many siderophile elements is unknown yet could be an important, and as yet unquantified, influence on the core-mantle partitioning of SE. Here we report new experiments designed to quantify the effect of Si on the partitioning of P, Au, Pd, and many other SE between metal and silicate melt. The results will be applied to Earth, for which we have excellent constraints on the mantle siderophile element concentrations.

  20. Activity coefficients at infinite dilution for solutes in the trioctylmethylammonium bis(trifluoromethylsulfonyl)imide ionic liquid using gas-liquid chromatography

    International Nuclear Information System (INIS)

    Gwala, Nobuhle V.; Deenadayalu, Nirmala; Tumba, Kaniki; Ramjugernath, Deresh

    2010-01-01

    The activity coefficient at infinite dilution (γ 13 ∞ ) for 30 solutes: alkanes, alkenes, cycloalkanes, alkynes, ketones, alcohols, and aromatic compounds was determined from gas-liquid chromatography (glc) measurements at three temperatures (303.15, 313.15, and 323.15) K. The ionic liquid: trioctylmethylammonium bis(trifluoromethylsulfonyl)imide, was used as the stationary phase. For each temperature, γ 13 ∞ values were determined using two columns with different mass percent packing of the ionic liquid. The selectivity (S 12 ∞ ) value was calculated from the γ 13 ∞ to determine the suitability of the solvent as a potential entrainer for extractive distillation in the separation of an hexane/benzene mixture, indicative of a typical industrial separation problem for benchmarking purposes.

  1. Measurements of activity coefficients at infinite dilution of aromatic and aliphatic hydrocarbons, alcohols, and water in the new ionic liquid [EMIM][SCN] using GLC

    International Nuclear Information System (INIS)

    Domanska, Urszula; Marciniak, Andrzej

    2008-01-01

    A new ionic liquid was chosen for the separation of aromatic hydrocarbons from aliphatic hydrocarbons. The activity coefficients at infinite dilution, γ 13 ∞ for 29 solutes: alkanes, alkenes, alkynes, cycloalkanes, aromatic hydrocarbons, alcohols, and water in the ionic liquid 1-ethyl-3-methyl-imidazolium thiocyanate [EMIM][SCN] were determined by gas-liquid chromatography at the temperatures from 298.15 K to 368.15 K. The values of the partial molar excess enthalpies at infinite dilution ΔH 1 E,∞ were calculated from the experimental γ 13 ∞ values obtained over the temperature range. The selectivities for the hexane/benzene and cyclohexane/benzene separation problems were calculated from the γ 13 ∞ and compared to the other ionic liquids, NMP and sulfolane, taken from the recent literature. This work demonstrates that with chosen ionic liquid it is possible to separate different organic compounds with the highest selectivity ever published

  2. Measurements of activity coefficients at infinite dilution of aliphatic and aromatic hydrocarbons, alcohols, thiophene, tetrahydrofuran, MTBE, and water in ionic liquid [BMIM][SCN] using GLC

    International Nuclear Information System (INIS)

    Domanska, Urszula; Laskowska, Marta

    2009-01-01

    The activity coefficients at infinite dilution, γ 13 ∞ for 32 solutes: alkanes, alken-1-es, alkyn-1-es, cycloalkanes, aromatic hydrocarbons, alcohols, thiophene, tetrahydrofuran, tert-butyl methyl ether, and water in the ionic liquid 1-butyl-3-methylimidazolium thiocyanate [BMIM][SCN] were determined by gas-liquid chromatography at the temperatures from 298.15 K to 368.15 K. The values of the partial molar excess enthalpies at infinite dilution ΔH 1 E,∞ were calculated from the experimental γ 13 ∞ values obtained over the temperature range. The selectivities for the hexane/benzene, cyclohexane/benzene, hexane/thiophene, and other separation problems were calculated from the γ 13 ∞ and compared to the other ionic liquids, N-methyl-2-pyrrolidinone, and sulfolane, taken from the recent literature. This work demonstrates that with chosen ionic liquid it is possible to separate different organic compounds with the highest selectivity, ever published

  3. Activity coefficients at infinite dilution and physicochemical properties for organic solutes and water in the ionic liquid 1-(2-methoxyethyl)-1-methylpiperidinium trifluorotris(perfluoroethyl)phosphate

    International Nuclear Information System (INIS)

    Marciniak, Andrzej; Wlazło, Michał

    2013-01-01

    Highlights: ► IGC was used to determine γ ∞ and K L for 62 solutes in the ionic liquid [COC 2 mPIP][FAP]. ► Partial molar excess Gibbs free energies ΔG 1 E∞ , enthalpies ΔH 1 E∞ , and entropies ΔS 1 E∞ were calculated. ► Selectivities and capacities for selected separation problems were calculated. ► LFER system constants as a function of T for [COC 2 mPIP][FAP] were calculated. - Abstract: This work is continuation of our systematic study of activity coefficients at infinite dilution, γ ∞ of different organic solutes and water in the ionic liquids. New data of γ ∞ were determined for 62 solutes, including alkanes, alkenes, alkynes, cycloalkanes, aromatic hydrocarbons, alcohols, thiophene, ethers, ketones, esters, 1-nitropropane, butanal, acetonitrile, and water in the ionic liquid 1-(2-methoxyethyl)-1-methylpiperidinium trifluorotris(perfluoroethyl)phosphate by inverse gas chromatography at the temperature range from (318.15 to 368.15) K. The basic thermodynamic functions, namely partial molar excess Gibbs free energies, ΔG 1 E,∞ , enthalpies, ΔH 1 E,∞ and entropies, ΔS 1 E,∞ at infinite dilution were calculated from the experimental γ ∞ values obtained over the temperature range. Additionally the gas–liquid partition coefficients, K L were determined. Results are compared to previously investigated ionic liquids with the same cations or anions. Values of the selectivity and capacity at infinite dilution for heptane/benzene, heptane/thiophene, and heptane/methanol extraction problems were calculated from experimental γ ∞ values to verify the possibility of investigated ionic liquid as an entrainer in liquid–liquid extraction.

  4. Osmotic and activity coefficients in the binary solutions of 1-butyl-3-methylimidazolium chloride and bromide in methanol or ethanol at T = 298.15 K from isopiestic measurements

    International Nuclear Information System (INIS)

    Sardroodi, Jaber Jahanbin; Azamat, Jafar; Atabay, Maryam

    2011-01-01

    Highlights: → The osmotic coefficients of the solutions of 1-butyl-3-methylimidazolium chloride and bromide in ethanol and methanol have been measured. → Measured osmotic coefficients were correlated using NRTL and Pitzer models. → Vapor pressures were evaluated from the correlated osmotic coefficients. → Model parameters have been interpreted in terms of ion-ion and ion-solvent interactions. - Abstract: Osmotic coefficients of the binary solutions of two room-temperature ionic liquids (1-butyl-3-methylimidazolium chloride and bromide) in methanol and ethanol have been measured at T = 298.15 K by the isopiestic method. The experimental osmotic coefficient data have been correlated using a forth-order polynomial in terms of (molality) 0.5 , with both, ion interaction model of Pitzer and electrolyte non-random two liquid (e-NRTL) model of Chen. The values of vapor pressures of above-mentioned solutions have been calculated from the osmotic coefficients. The model parameters fitted to the experimental osmotic coefficients have been used for prediction of the mean ionic activity coefficients of those ionic liquids in methanol and ethanol.

  5. Reentrant behaviors in the phase diagram of spin-1 planar ferromagnets with easy-axis single-ion anisotropy via the Devlin two-time Green function framework

    Science.gov (United States)

    Mercaldo, M. T.; Rabuffo, I.; De Cesare, L.; Caramico D'Auria, A.

    2017-10-01

    The Devlin two-time Green function framework is used to investigate the role played by the easy-axis single-ion anisotropy on the phase diagram of (d > 2) -dimensional spin-1 planar ferromagnets which exhibit a magnetic-field-induced quantum phase transition (QPT). In this scheme, the exchange anisotropy terms in the equations of motion are treated at the Tyablikov decoupling level while the crystal field anisotropy contribution is handled exactly. The emerging key result is a reentrant structure of the phase diagram close to the quantum critical point for a well defined window of values of the single-ion anisotropy parameter. This experimentally interesting feature was recently recovered by employing the Anderson-Callen decoupling (ACD) which is considered to provide meaningful results only for small values of the single-ion anisotropy parameter. In this context, our findings suggest that the simplest ACD treatment offers the possibility to have, at least qualitatively, a correct physical scenario of quantum criticality close to a field-induced QPT avoiding the limiting mathematical difficulties involved in the Devlin scheme.

  6. Activity coefficients of LiCl in (PEG 4000 + water) at T = (288.15, 298.15, and 308.15) K

    Energy Technology Data Exchange (ETDEWEB)

    Morales, Jaime W.; Galleguillos, Hector R.; Graber, Teofilo A. [Centro de Investigacion Cientifico y Tecnologico para la Mineria, Departamento de Ingenieria Quimica, Universidad de Antofagasta (Chile); Hernandez-Luis, Felipe, E-mail: ffhelu@ull.e [Departamento de Quimica Fisica, Universidad de La Laguna, Tenerife (Spain)

    2010-10-15

    The electromotive force of the cell containing two ion-selective electrodes (ISE), Na-ISE|LiCl(m),PEG4000(w),H{sub 2}O(1-w)|Cl-ISE has been measured at temperatures of (288.15, 298.15, and 308.15) K as a function of the mass fraction of PEG 4000 (w) in the mixture. w was varied between 0 and 0.25 in 0.05-unit steps and the molality of the electrolyte (m) was between c.a. (0.03 and 5.8) mol . kg{sup -1}. The values of the standard electromotive force, E{sup 0}, were determined using routine methods of extrapolation, together with extended Debye-Hueckel and Pitzer equations. The results obtained produced good internal consistency for all the temperatures studied. Once E{sup 0} was determined, the mean ionic activity coefficients for LiCl, the Gibbs free energy of transfer from the water to (PEG 4000 + water), and the primary LiCl hydration number were calculated.

  7. A new threshold of apparent diffusion coefficient values in white matter after successful tissue plasminogen activator treatment for acute brain ischemia.

    Science.gov (United States)

    Sato, Atsushi; Shimizu, Yusaku; Koyama, Junichi; Hongo, Kazuhiro

    2017-06-01

    Tissue plasminogen activator (tPA) is effective for the treatment of acute brain ischemia, but may trigger fatal brain edema or hemorrhage if the brain ischemia results in a large infarct. Herein, we attempted to predict the extent of infarcts by determining the optimal threshold of ADC values on DWI that predictively distinguishes between infarct and reversible areas, and by reconstructing color-coded images based on this threshold. The study subjects consisted of 36 patients with acute brain ischemia in whom MRA had confirmed reopening of the occluded arteries in a short time (mean: 99min) after tPA treatment. We measured the apparetnt diffusion coefficient (ADC) values in several small regions of interest over the white matter within high-intensity areas on the initial diffusion weighted image (DWI); then, by comparing the findings to the follow-up images, we obtained the optimal threshold of ADC values using receiver-operating characteristic analysis. The threshold obtained (583×10 -6 m 2 /s) was lower than those previously reported; this threshold could distinguish between infarct and reversible areas with considerable accuracy (sensitivity: 0.87, specificity: 0.94). The threshold obtained and the reconstructed images were predictive of the final radiological result of tPA treatment, and this threshold may be helpful in determining the appropriate management of patients with acute brain ischemia. Copyright © 2017 Elsevier Masson SAS. All rights reserved.

  8. Characterizing differences in the phosphorus activation coefficient of three typical cropland soils and the influencing factors under long-term fertilization

    Science.gov (United States)

    Wu, Qihua; Zhang, Shuxiang; Zhu, Ping; Huang, Shaomin; Wang, Boren; Zhao, LinPing; Xu, Minggang

    2017-01-01

    The phosphorus activation coefficient (PAC, the ratio of available P to total P) is an important indicator of soil P availability and the transformation of P fractions. Understanding the details of the PAC is useful to estimate soil available P status and to provide P management guidance. In this research, soils from five long-term (23 years) fertilization treatments in three croplands were selected to examine the relationships between the PAC and P fractions and to analyse the influencing factors. PAC was affected by both soil types and fertilization treatments. Compared to the unfertilized control (CK) treatment, long-term P application significantly increased the PAC, all of the inorganic P (Pi) fractions and most of the organic P (Po) fractions in all the three soils, particularly in chemical fertilizer combined with manure treatment (NPKM). The PAC was significantly correlated to all of the Pi fractions proportions (Psoil factors (29.53%) than by P input (0.19%) and climate (0.25%) factors. Our findings demonstrate that P application increased the PAC by changing the Co content and the proportion of P fractions. Moreover, soil factors were the most important drivers of P transformations, and NPKM was optimal for improving soil fertility in Chinese croplands. PMID:28467425

  9. Field-Induced Co(II) Single-Ion Magnets with mer-Directing Ligands but Ambiguous Coordination Geometry.

    Science.gov (United States)

    Peng, Yan; Mereacre, Valeriu; Anson, Christopher E; Zhang, Yiquan; Bodenstein, Tilmann; Fink, Karin; Powell, Annie K

    2017-06-05

    Three air-stable Co(II) mononuclear complexes with different aromatic substituents have been prepared and structurally characterized by single-crystal X-ray diffraction. The mononuclear complexes [Co(H 2 L1) 2 ]·2THF (1), [Co(HL2) 2 ] (2), and [Co(H 2 L3) 2 ]·CH 2 Cl 2 (3) (where H 3 L1, H 2 L2, and H 3 L3 represent 3-hydroxy-naphthalene-2-carboxylic acid (6-hydroxymethyl-pyridin-2-ylmethylene) hydrazide, nicotinic acid (6-hydroxymethyl-pyridin-2-ylmethylene) hydrazide, and 2-hydroxy-benzoic acid (6-hydroxymethyl-pyridin-2-ylmethylene) hydrazide, respectively) feature a distorted mer octahedral coordination geometry. Detailed magnetic studies of 1-3 have been conducted using direct and alternating current magnetic susceptibility data. Field-induced slow magnetic relaxation was observed for these three complexes. There are few examples of such behavior in (distorted) octahedral coordination geometry (OC) Co(II) mononuclear complexes with uniaxial anisotropy. Analysis of the six-coordinate Co(II) mononuclear single-ion magnets (SIMs) in the literature using the SHAPE program revealed that they all show what is best described as distorted trigonal prismatic (TRP) coordination geometry, and in general, these show negative D zero-field splitting (ZFS) values. On the other hand, all the Co(II) mononuclear complexes displaying what is best approximated as distorted octahedral (OC) coordination geometry show positive D values. In the new Co(II) mononuclear complexes we describe here, there is an ambiguity, since the rigid tridentate ligands confer what is best described for an octahedral complex as a mer coordination geometry, but the actual shape of the first coordination sphere is between octahedral and trigonal prismatic. The negative D values observed experimentally and supported by high-level electronic structure calculations are thus in line with a trigonal prismatic geometry. However, a consideration of the rhombicity as indicated by the E value of the ZFS in

  10. Transport Coefficients of Fluids

    CERN Document Server

    Eu, Byung Chan

    2006-01-01

    Until recently the formal statistical mechanical approach offered no practicable method for computing the transport coefficients of liquids, and so most practitioners had to resort to empirical fitting formulas. This has now changed, as demonstrated in this innovative monograph. The author presents and applies new methods based on statistical mechanics for calculating the transport coefficients of simple and complex liquids over wide ranges of density and temperature. These molecular theories enable the transport coefficients to be calculated in terms of equilibrium thermodynamic properties, and the results are shown to account satisfactorily for experimental observations, including even the non-Newtonian behavior of fluids far from equilibrium.

  11. Synthesis and Characterization of Network Single Ion Conductors(NSIC) Based On Comb-Branched Polyepoxide Ethers and LithiumBis(allylmalonato)borate

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Xiao-Guang; Kerr, John B.

    2004-07-11

    Network single ion conductors (NSICs) based on comb-branch polyepoxide ethers and lithium bis(allylmalonato) borate have been synthesized and thoroughly characterized by means of ionic conductivity measurements, electrochemical impedance and by dynamic mechanical analysis (DMA). The materials have been tested as battery electrolytes by cycling in symmetrical Li/Li half cells and in Li/V{sub 6}O{sub 13} full cells in which the NSIC was used as both binder and electrolyte in the cathode electrode and as the electrolyte separator membrane,. The substitution of the trimethylene oxide (TMO) unit into the side chains in place of ethylene oxide (EO) units increased the polymerion mobility (lower glass transition temperature). However, the ionic conductivity was nearly one and half orders of magnitude lower than the corresponding pure EO based single ion conductor at the same salt concentration. This effect may be ascribed to the lower dielectric constant of the TMO side chains that result in a lower concentration of free conducting lithium cations. For a highly cross-linked system (EO/Li=20), only 47 wt% plasticizing solvent (ethylene carbonate (EC)/ethyl methyl carbonate (EMC), 1/1 by wt) could be taken up and the ionic conductivity was only increased by one order of magnitude over the dry polyelectrolyte while for a less densely crosslinked system (EO/Li=80), up to 75 wt% plasticizer could be taken up and the ionic conductivity was increased by nearly two orders of magnitude. A Li/Li symmetric cell that was cycled at 85 C at a current density of 25{micro}Acm{sup -2} showed no concentration polarization or diffusional relaxation, consistent with a lithium ion transference number of one. However, both the bulk and interfacial impedances increased after 20 cycles, apparently due to continued cross-linking reactions within the membrane and on the surface of the lithium electrodes. A Li/V{sub 6}O{sub 13} full cell constructed using a single ion conductor gel (propylene

  12. Calculation of the standard partial molal thermodynamic properties of KCl 0 and activity coefficients of aqueous KCl at temperatures and pressures to 1000°C and 5 kbar

    Science.gov (United States)

    Pokrovskii, Vitalii A.; Helgeson, Harold C.

    1997-06-01

    Regression of experimental activity coefficient and dissociation constant data reported in the literature with the Hückel (1925) and Setchénow (1892) equations (Helgeson et al., 1981) and the revised HKF equations of state (Tanger and Helgeson, 1988; Shock et al., 1989, 1992) generated parameters and thermodynamic properties of dissociated KCI and KCl 0 at 25°C and 1 bar that can be used to calculate the standard partial molal thermodynamic properties of KCl 0 and the activity coefficients of KCl at temperatures and pressures to 1000°C and 5 kbar.

  13. The CPA Equation of State and an Activity Coefficient Model for Accurate Molar Enthalpy Calculations of Mixtures with Carbon Dioxide and Water/Brine

    Energy Technology Data Exchange (ETDEWEB)

    Myint, P. C. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Hao, Y. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Firoozabadi, A. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2015-03-27

    Thermodynamic property calculations of mixtures containing carbon dioxide (CO2) and water, including brines, are essential in theoretical models of many natural and industrial processes. The properties of greatest practical interest are density, solubility, and enthalpy. Many models for density and solubility calculations have been presented in the literature, but there exists only one study, by Spycher and Pruess, that has compared theoretical molar enthalpy predictions with experimental data [1]. In this report, we recommend two different models for enthalpy calculations: the CPA equation of state by Li and Firoozabadi [2], and the CO2 activity coefficient model by Duan and Sun [3]. We show that the CPA equation of state, which has been demonstrated to provide good agreement with density and solubility data, also accurately calculates molar enthalpies of pure CO2, pure water, and both CO2-rich and aqueous (H2O-rich) mixtures of the two species. It is applicable to a wider range of conditions than the Spycher and Pruess model. In aqueous sodium chloride (NaCl) mixtures, we show that Duan and Sun’s model yields accurate results for the partial molar enthalpy of CO2. It can be combined with another model for the brine enthalpy to calculate the molar enthalpy of H2O-CO2-NaCl mixtures. We conclude by explaining how the CPA equation of state may be modified to further improve agreement with experiments. This generalized CPA is the basis of our future work on this topic.

  14. The performance of PI-RADSv2 and quantitative apparent diffusion coefficient for predicting confirmatory prostate biopsy findings in patients considered for active surveillance of prostate cancer.

    Science.gov (United States)

    Nougaret, Stephanie; Robertson, Nicola; Golia Pernicka, Jennifer; Molinari, Nicolas; Hötker, Andreas M; Ehdaie, Behfar; Sala, Evis; Hricak, Hedvig; Vargas, Hebert Alberto

    2017-07-01

    To assess the performance of the updated Prostate Imaging Reporting and Data System (PI-RADSv2) and the apparent diffusion coefficient (ADC) for predicting confirmatory biopsy results in patients considered for active surveillance of prostate cancer (PCA). IRB-approved, retrospective study of 371 consecutive men with clinically low-risk PCA (initial biopsy Gleason score ≤6, prostate-specific antigen PI-RADSv2 scores and measured the corresponding ADC values in each patient. A composite score was generated to assess the performance of combining PI-RADSv2 + ADC. PCA was upgraded on confirmatory biopsy in 107/371 (29%) patients. Inter-reader agreement was substantial (PI-RADSv2: k = 0.73; 95% CI [0.66-0.80]; ADC: r = 0.74; 95% CI [0.69-0.79]). Accuracies, sensitivities, specificities, positive predicted value and negative predicted value of PI-RADSv2 were 85, 89, 83, 68, 95 and 78, 82, 76, 58, 91% for ADC. PI-RADSv2 accuracy was significantly higher than that of ADC for predicting biopsy upgrade (p = 0.014). The combined PI-RADSv2 + ADC composite score did not perform better than PI-RADSv2 alone. Obviating biopsy in patients with PI-RADSv2 score ≤3 would have missed Gleason Score upgrade in 12/232 (5%) of patients. PI-RADSv2 was superior to ADC measurements for predicting PCA upgrading on confirmatory biopsy.

  15. Phase transitions and multicritical points in the mixed spin-32 and spin-2 Ising system with a single-ion anisotropy

    International Nuclear Information System (INIS)

    Bobak, A.; Dely, J.

    2007-01-01

    The effect of a single-ion anisotropy on the phase diagram of the mixed spin-32 and spin-2 Ising system is investigated by the use of a mean-field theory based on the Bogoliubov inequality for the free energy. Topologically different kinds of phase diagrams are achieved by changing values of the parameter in the model Hamiltonian. Besides second-order transitions, lines of first-order transitions terminating either at a tricritical point or an isolated critical point, are found

  16. Prestarlike functions with negative coefficients

    Directory of Open Access Journals (Sweden)

    H. Silverman

    1979-01-01

    Full Text Available The extreme points for prestarlike functions having negative coefficients are determined. Coefficient, distortion and radii of univalence, starlikeness, and convexity theorems are also obtained.

  17. Application of a General Computer Algorithm Based on the Group-Additivity Method for the Calculation of Two Molecular Descriptors at Both Ends of Dilution: Liquid Viscosity and Activity Coefficient in Water at Infinite Dilution.

    Science.gov (United States)

    Naef, Rudolf; Acree, William E

    2017-12-21

    The application of a commonly used computer algorithm based on the group-additivity method for the calculation of the liquid viscosity coefficient at 293.15 K and the activity coefficient at infinite dilution in water at 298.15 K of organic molecules is presented. The method is based on the complete breakdown of the molecules into their constituting atoms, further subdividing them by their immediate neighborhood. A fast Gauss-Seidel fitting method using experimental data from literature is applied for the calculation of the atom groups' contributions. Plausibility tests have been carried out on each of the calculations using a ten-fold cross-validation procedure which confirms the excellent predictive quality of the method. The goodness of fit (Q²) and the standard deviation (σ) of the cross-validation calculations for the viscosity coefficient, expressed as log(η), was 0.9728 and 0.11, respectively, for 413 test molecules, and for the activity coefficient log(γ) ∞ the corresponding values were 0.9736 and 0.31, respectively, for 621 test compounds. The present approach has proven its versatility in that it enabled the simultaneous evaluation of the liquid viscosity of normal organic compounds as well as of ionic liquids.

  18. Solute retention in column liquid chromatography. X. Determination of solute infinite-dilution activity coefficients in methanol, water, and their mixtures, by combined gas-liquid and liquid-liquid chromatography

    Energy Technology Data Exchange (ETDEWEB)

    Djerki, R.A.; Laub, R.J.

    1988-01-01

    The Raoult's-law activity coefficients of 3- to 7-carbon aliphatic aldehyde, ketone, ester, and alcohol solutes at infinite dilution in methanol, water, and mixtures of the two and in polydimethysiloxane, all at 293-308 K, have been determined for the first time by appropriate combination of GLC and LLC retention data. The latter data are reported in terms of mole factions, while the former are given in concentration units of molality. However, interpretation of the data is difficult because of the multiplicity of the retention mechanisms. Nevertheless, the combined GLC/LLC technique, which had been applied previously only to pure solvents, is said to offer a number of advantages over static techniques for the determination of solute infinite-dilution activity coefficients with volatile solvents, especially with mixtures of solvents.

  19. Determination of activity coefficient of lanthanum chloride in molten LiCl-KCl eutectic salt as a function of cesium chloride and lanthanum chloride concentrations using electromotive force measurements

    Science.gov (United States)

    Bagri, Prashant; Simpson, Michael F.

    2016-12-01

    The thermodynamic behavior of lanthanides in molten salt systems is of significant scientific interest for the spent fuel reprocessing of Generation IV reactors. In this study, the apparent standard reduction potential (apparent potential) and activity coefficient of LaCl3 were determined in a molten salt solution of eutectic LiCl-KCl as a function of concentration of LaCl3. The effect of adding up to 1.40 mol % CsCl was also investigated. These properties were determined by measuring the open circuit potential of the La-La(III) redox couple in a high temperature molten salt electrochemical cell. Both the apparent potential and activity coefficient exhibited a strong dependence on concentration. A low concentration (0.69 mol %) of CsCl had no significant effect on the measured properties, while a higher concentration (1.40 mol %) of CsCl caused an increase (become more positive) in the apparent potential and activity coefficient at the higher range of LaCl3 concentrations.

  20. Determination of activity coefficient of lanthanum chloride in molten LiCl-KCl eutectic salt as a function of cesium chloride and lanthanum chloride concentrations using electromotive force measurements

    Energy Technology Data Exchange (ETDEWEB)

    Bagri, Prashant, E-mail: prashant.bagri@utah.edu; Simpson, Michael F.

    2016-12-15

    The thermodynamic behavior of lanthanides in molten salt systems is of significant scientific interest for the spent fuel reprocessing of Generation IV reactors. In this study, the apparent standard reduction potential (apparent potential) and activity coefficient of LaCl{sub 3} were determined in a molten salt solution of eutectic LiCl-KCl as a function of concentration of LaCl{sub 3}. The effect of adding up to 1.40 mol % CsCl was also investigated. These properties were determined by measuring the open circuit potential of the La—La(III) redox couple in a high temperature molten salt electrochemical cell. Both the apparent potential and activity coefficient exhibited a strong dependence on concentration. A low concentration (0.69 mol %) of CsCl had no significant effect on the measured properties, while a higher concentration (1.40 mol %) of CsCl caused an increase (become more positive) in the apparent potential and activity coefficient at the higher range of LaCl{sub 3} concentrations.

  1. Activity coefficients at infinite dilution of organic solutes in the ionic liquid trihexyl(tetradecyl)phosphonium tetrafluoroborate using gas-liquid chromatography at T = (313.15, 333.15, 353.15, and 373.15) K

    International Nuclear Information System (INIS)

    Tumba, Kaniki; Reddy, Prashant; Naidoo, Paramespri; Ramjugernath, Deresh

    2011-01-01

    Research highlights: → Activity coefficients at infinite dilution in the ionic liquid [3C 6 C 14 P][BF 4 ]. → Twenty-seven solutes investigated at T = (313.15, 333.15, 353.15, and 373.15) K. → [3C 6 C 14 P][BF 4 ] shows promise for the separation of aromatic and alcohol mixtures. - Abstract: Activity coefficients at infinite dilution have been measured by gas-liquid chromatography for 27 organic solutes (n-alkanes, 1-alkenes, 1-alkynes, cycloalkanes, aromatics, alcohols, and ketones) in the ionic liquid trihexyl(tetradecyl)phosphonium tetrafluoroborate [3C 6 C 14 P][BF 4 ]. The measurements were carried out at four different temperatures viz.T = (313.15, 333.15, 353.15, and 373.15) K. From the experimental data, partial molar excess enthalpy values at infinite dilution were calculated for the experimental temperature range. The selectivity values for the separation of n-hexane/benzene, cyclohexane/benzene, and methanol/benzene mixtures were determined from the experimental infinite dilution activity coefficient values. These values were compared to those available in the literature for other ionic liquids and commercial solvents, so as to assess the feasibility of employing [3C 6 C 14 P][BF 4 ] in solvent-enhanced industrial separations.

  2. Field-Induced Single-Ion Magnet Behaviour in Two New Cobalt(II Coordination Polymers with 2,4,6-Tris(4-pyridyl-1,3,5-triazine

    Directory of Open Access Journals (Sweden)

    Dong Shao

    2017-12-01

    Full Text Available We herein reported the syntheses, crystal structures, and magnetic properties of a two-dimensional coordination polymer {[CoII(TPT2/3(H2O4][CH3COO]2·(H2O4}n (1 and a chain compound {[CoII(TPT2(CHOO2(H2O2]}n (2 based on the 2,4,6-Tris(4-pyridyl-1,3,5-triazine (TPT ligand. Structure analyses showed that complex 1 had a cationic hexagonal framework structure, while 2 was a neutral zig-zag chain structure with different distorted octahedral coordination environments. Magnetic measurements revealed that both complexes exhibit large easy-plane magnetic anisotropy with the zero-field splitting parameter D = 47.7 and 62.1 cm−1 for 1 and 2, respectively. This magnetic anisotropy leads to the field-induced slow magnetic relaxation behaviour. However, their magnetic dynamics are quite different; while complex 1 experienced a dominating thermally activated Orbach relaxation at the whole measured temperature region, 2 exhibited multiple relaxation pathways involving direct, Raman, and quantum tunneling (QTM processes at low temperatures and Orbach relaxation at high temperatures. The present complexes enlarge the family of framework-based single-ion magnets (SIMs and highlight the significance of the structural dimensionality to the final magnetic properties.

  3. Temperature-Dependent Interplay of Dzyaloshinskii-Moriya Interaction and Single-Ion Anisotropy in Multiferroic BiFeO3

    Science.gov (United States)

    Jeong, Jaehong; Le, Manh Duc; Bourges, P.; Petit, S.; Furukawa, S.; Kim, Shin-Ae; Lee, Seongsu; Cheong, S.-W.; Park, Je-Geun

    2014-09-01

    Low-energy magnon excitations in multiferroic BiFeO3 were measured in detail as a function of temperature around several Brillouin zone centers by inelastic neutron scattering experiments on single crystals. Unique features around 1 meV are directly associated with the interplay of the Dzyaloshinskii-Moriya interaction and a small single-ion anisotropy. The temperature dependence of these and the exchange interactions were determined by fitting the measured magnon dispersion with spin-wave calculations. The spectra best fit an easy-axis type magnetic anisotropy and the deduced exchange and anisotropy parameters enable us to determine the anharmonicity of the magnetic cycloid. We then draw a direct connection between the changes in the parameters of spin Hamiltonian with temperature and the physical properties and structural deformations of BiFeO3.

  4. Coefficient estimates of negative powers and inverse coefficients for ...

    Indian Academy of Sciences (India)

    λ. Using this we shall determine the ... Univalent; starlike; meromorphic functions; subordination; coefficient bounds; inverse ...... [6] FitzGerald C H, Quadratic inequalities and coefficient estimates for Schlicht functions, Arch. Ration. Mech. Anal.

  5. Prediction of activity coefficients in liquid aerosol particles containing organic compounds, dissolved inorganic salts, and water—Part 3: Organic compounds, water, and ionic constituents by consideration of short-, mid-, and long-range effects using X-UNIFAC.3

    Science.gov (United States)

    Erdakos, Garnet B.; Chang, Elsa I.; Pankow, James F.; Seinfeld, John H.

    X-UNIFAC.3, a group contribution method for estimating activity coefficients of neutral and ionic components in liquid mixtures of organic compounds, inorganic salts, and water, is presented here. It is an extended UNIFAC method, in that traditional UNIFAC terms for short-range energetic interaction effects are extended to include ions as mixture components, and are combined with a Debye-Hückel long-range effect term and a second virial coefficient-type mid-range effect term. The method is formulated for application in modeling the formation of liquid aerosol particles consisting of general organic+inorganic salt+water solutions in which phase separation is likely to occur. Existing extended UNIFAC activity coefficient estimation methods can be problematic in modeling phase separation, since they require independent reference state corrections that may introduce significant errors. In X-UNIFAC.3, this problem is avoided by selecting appropriate reference states for all solution components, and imposing additional constraints on method parameters, when necessary, by inclusion of reference state correction terms within the activity coefficient expressions. Interaction parameters in the X-UNIFAC.3 equations are optimized for 12 different chemical groups (CH 3-, -CH 2-, -C|H-, -C||-, -OH, -COOH, H 2O, NH 4+, Na +, Cl -, NO3-, and SO42-) using available data for systems containing multi-functional oxygenated organic compounds and/or inorganic salts that are relevant to atmospheric aerosol applications. Estimations of water activities and mean ionic activity coefficients using X-UNIFAC.3 are compared with those of other extended UNIFAC methods. To demonstrate the use of X-UNIFAC.3 in predicting phase separation, the method is also applied to the butanoic acid+NaCl+water system, for which experimental liquid-liquid equilibrium data is available. The method performs well for aqueous salt solutions with salt concentrations within 30 mol kg -1 and for organic+inorganic salt

  6. The UNIFAC-NRF activity coefficient model based on group contribution for partitioning of proteins in aqueous two phase (polymer + salt) systems

    Energy Technology Data Exchange (ETDEWEB)

    Haghtalab, Ali [Department of Chemical Engineering, Tarbiat Modarres University, P.O. Box: 14115-175, Tehran (Iran, Islamic Republic of)]. E-mail: haghtala@modares.ac.ir; Mokhtarani, Babak [Department of Chemical Engineering, Tarbiat Modarres University, P.O. Box: 14115-175, Tehran (Iran, Islamic Republic of)

    2005-03-01

    The group contribution model, UNIFAC-NRF, was applied for correlation of partition coefficient of proteins. This model was already developed for aqueous two phase of (polymer + salt) systems. The protein molecules were divided into some patches assumed to have interaction with the other species in aqueous (polymer + salt) systems. The binary interaction parameters were used for prediction of protein partitioning in aqueous two phase systems. These parameters were obtained by correlating the binary electrolyte solution and ternary aqueous two phase systems. The results of UNIFAC-NRF model are in a very good agreement with the experimental data for partitioning of lysozyme in both (PEG + K{sub 2}HPO{sub 4} + water) and (PEG + Na{sub 2}SO{sub 4} + water) systems at different pHs. The comparison of the results, which were obtained by both UNIFAC-NRF and the VERS models, shows that the present group contribution model can correlate the partitioning of protein in ATPS better than the VERS model.

  7. A Stable Pentagonal Bipyramidal Dy(III) Single-Ion Magnet with a Record Magnetization Reversal Barrier over 1000 K.

    Science.gov (United States)

    Liu, Jiang; Chen, Yan-Cong; Liu, Jun-Liang; Vieru, Veacheslav; Ungur, Liviu; Jia, Jian-Hua; Chibotaru, Liviu F; Lan, Yanhua; Wernsdorfer, Wolfgang; Gao, Song; Chen, Xiao-Ming; Tong, Ming-Liang

    2016-04-27

    Single-molecule magnets (SMMs) with a large spin reversal barrier have been recognized to exhibit slow magnetic relaxation that can lead to a magnetic hysteresis loop. Synthesis of highly stable SMMs with both large energy barriers and significantly slow relaxation times is challenging. Here, we report two highly stable and neutral Dy(III) classical coordination compounds with pentagonal bipyramidal local geometry that exhibit SMM behavior. Weak intermolecular interactions in the undiluted single crystals are first observed for mononuclear lanthanide SMMs by micro-SQUID measurements. The investigation of magnetic relaxation reveals the thermally activated quantum tunneling of magnetization through the third excited Kramers doublet, owing to the increased axial magnetic anisotropy and weaker transverse magnetic anisotropy. As a result, pronounced magnetic hysteresis loops up to 14 K are observed, and the effective energy barrier (Ueff = 1025 K) for relaxation of magnetization reached a breakthrough among the SMMs.

  8. Quadrature formulas for Fourier coefficients

    KAUST Repository

    Bojanov, Borislav

    2009-09-01

    We consider quadrature formulas of high degree of precision for the computation of the Fourier coefficients in expansions of functions with respect to a system of orthogonal polynomials. In particular, we show the uniqueness of a multiple node formula for the Fourier-Tchebycheff coefficients given by Micchelli and Sharma and construct new Gaussian formulas for the Fourier coefficients of a function, based on the values of the function and its derivatives. © 2009 Elsevier B.V. All rights reserved.

  9. Measuring of heat transfer coefficient

    DEFF Research Database (Denmark)

    Henningsen, Poul; Lindegren, Maria

    Subtask 3.4 Measuring of heat transfer coefficient Subtask 3.4.1 Design and setting up of tests to measure heat transfer coefficient Objective: Complementary testing methods together with the relevant experimental equipment are to be designed by the two partners involved in order to measure...... the heat transfer coefficient for a wide range of interface conditions in hot and warm forging processes. Subtask 3.4.2 Measurement of heat transfer coefficient The objective of subtask 3.4.2 is to determine heat transfer values for different interface conditions reflecting those typically operating in hot...

  10. Combining microscopic and macroscopic probes to untangle the single-ion anisotropy and exchange energies in an S =1 quantum antiferromagnet

    Science.gov (United States)

    Brambleby, Jamie; Manson, Jamie L.; Goddard, Paul A.; Stone, Matthew B.; Johnson, Roger D.; Manuel, Pascal; Villa, Jacqueline A.; Brown, Craig M.; Lu, Helen; Chikara, Shalinee; Zapf, Vivien; Lapidus, Saul H.; Scatena, Rebecca; Macchi, Piero; Chen, Yu-sheng; Wu, Lai-Chin; Singleton, John

    2017-04-01

    The magnetic ground state of the quasi-one-dimensional spin-1 antiferromagnetic chain is sensitive to the relative sizes of the single-ion anisotropy (D ) and the intrachain (J ) and interchain (J') exchange interactions. The ratios D /J and J'/J dictate the material's placement in one of three competing phases: a Haldane gapped phase, a quantum paramagnet, and an X Y -ordered state, with a quantum critical point at their junction. We have identified [Ni (HF2) (pyz) 2] SbF6 , where pyz = pyrazine, as a rare candidate in which this behavior can be explored in detail. Combining neutron scattering (elastic and inelastic) in applied magnetic fields of up to 10 tesla and magnetization measurements in fields of up to 60 tesla with numerical modeling of experimental observables, we are able to obtain accurate values of all of the parameters of the Hamiltonian [D =13.3 (1 ) K, J =10.4 (3 ) K, and J'=1.4 (2 ) K], despite the polycrystalline nature of the sample. Density-functional theory calculations result in similar couplings (J =9.2 K, J'=1.8 K) and predict that the majority of the total spin population resides on the Ni(II) ion, while the remaining spin density is delocalized over both ligand types. The general procedures outlined in this paper permit phase boundaries and quantum-critical points to be explored in anisotropic systems for which single crystals are as yet unavailable.

  11. Multiple Quantum Coherences (MQ) NMR and Entanglement Dynamics in the Mixed-Three-Spin XXX Heisenberg Model with Single-Ion Anisotropy

    Science.gov (United States)

    Hamid, Arian Zad

    2016-12-01

    We analytically investigate Multiple Quantum (MQ) NMR dynamics in a mixed-three-spin (1/2,1,1/2) system with XXX Heisenberg model at the front of an external homogeneous magnetic field B. A single-ion anisotropy property ζ is considered for the spin-1. The intensities dependence of MQ NMR coherences on their orders (zeroth and second orders) for two pairs of spins (1,1/2) and (1/2,1/2) of the favorite tripartite system are obtained. It is also investigated dynamics of the pairwise quantum entanglement for the bipartite (sub)systems (1,1/2) and (1/2,1/2) permanently coupled by, respectively, coupling constants J}1 and J}2, by means of concurrence and fidelity. Then, some straightforward comparisons are done between these quantities and the intensities of MQ NMR coherences and ultimately some interesting results are reported. We also show that the time evolution of MQ coherences based on the reduced density matrix of the pair spins (1,1/2) is closely connected with the dynamics of the pairwise entanglement. Finally, we prove that one can introduce MQ coherence of the zeroth order corresponds to the pair spins (1,1/2) as an entanglement witness at some special time intervals.

  12. Measurements of mass-fraction activity coefficient at infinite dilution of aliphatic and aromatic hydrocarbons, thiophene, alcohols, water, ethers, and ketones in hyperbranched polymer, Boltorn H2004, using inverse gas chromatography

    International Nuclear Information System (INIS)

    Domanska, Urszula; Zolek-Tryznowska, Zuzanna

    2010-01-01

    Thermodynamic properties of the hyperbranched polymer, Boltorn H2004 (B-H2004), were investigated by inverse gas chromatography with 42 different solvents: n-alkanes (C 5 -C 10 ), cycloalkanes (C 5 -C 8 ), alkenes (C 5 -C 8 ), alkynes (C 5 -C 8 ), aromatic hydrocarbons (benzene, toluene, ethylbenzene, o-, m-, p-xylene, thiophene), alcohols (C 1 -C 5 ), water, ethers (tetrahydrofuran (THF), methyl-tert-butylether (MTBE), diethyl-, di-n-propyl-, di-n-butyl ether), and ketones (acetone, 2-pentanone, 3-pentanone, 2-hexanone, 3-hexanone, cyclopentanone) at the temperatures from (308.15 to 348.15) K using the inverse gas chromatography (IGC). The density and thermophysical properties of polymer were described. The specific retention volume (V g ), the mass-fraction activity coefficient at infinite dilution (Ω 13 ∞ ), the Flory-Huggins interaction parameter (χ 13 ∞ ), the molar enthalpy of sorption in the polymer (Δ s H), the partial molar excess enthalpy at infinite dilution (ΔH 1 E,∞ ), the molar enthalpy of vaporization to the ideal-gas state for the pure solutes (Δ vap H 0 ), the partial molar Gibbs excess energy at infinite dilution (ΔG 1 E,∞ ), and the solubility parameter of the polymer (δ 3 ), were calculated. The UNIFAC-FV model was used to predict the mass-fraction activity coefficient at infinite dilution for different solutes in the B-H2004 polymer.

  13. Determination of activity coefficients at infinite dilution of water and organic solutes (polar and non-polar) in the Ammoeng 100 ionic liquid at T = (308.15, 313.5, 323.15, and 333.15) K

    International Nuclear Information System (INIS)

    Reddy, Prashant; Chiyen, Kaleng J.; Deenadayalu, Nirmala; Ramjugernath, Deresh

    2011-01-01

    Highlights: → Activity coefficients at infinite dilution in the ionic liquid Ammoeng 100. → Twenty-seven solutes investigated at T = (308.15, 313.15, 323.15, and 333.15) K. → Ammoeng 100 not suited to aromatic/aliphatic and alkane/alcohol separations. - Abstract: Activity coefficients at infinite dilution (γ 13 ∞ ) have been determined for 27 solutes, viz. water and organic compounds (n-alkanes, cycloalkanes, 1-alkenes, 1-alkynes, aromatics, alcohols, and ketones) in the ionic liquid Ammoeng 100, by gas-liquid chromatography at four different temperatures, T = (308.15, 313.15, 323.15, and 333.15) K. Columns with different phase loadings (20 to 24)% of the ionic liquid in the stationary phase were employed to obtain γ 13 ∞ values at each temperature investigated. Partial molar excess enthalpies at infinite dilution (ΔH 1 E,∞ ) were calculated for the solutes from the temperature dependency relationship of the ln(γ 13 ∞ ) values for the temperature range in this study. The uncertainties in the determinations of the γ 13 ∞ and ΔH 1 E,∞ values are 6% and 10%, respectively. Selectivity values at infinite dilution (S ij ∞ ), have been computed from the γ 13 ∞ values to assess the potential candidacy of the Ammoeng 100 ionic liquid for the separation of alkane/alcohol mixtures. The results from this study have been compared to those available for several ionic liquids from previous investigations.

  14. Activity concentration of 210Po and 210Pb, its contribution to the radiation dose and distribution coefficient in aquatic ecosystem of major rivers of coastal Karnataka

    International Nuclear Information System (INIS)

    Rajashekara, K.M.; Prakash, V.; Narayana, Y.

    2013-01-01

    Rivers are the major pathways for the transport of weathered materials from the land to the oceans. The geochemical studies on river waters provide an insight into the weathering process that control the distribution of elements in dissolved and particulate phases and their fluxes to the estuaries. Concentrations of natural series radionuclide in fresh water bodies are liable to be much more variable than those in the marine environment since they are heavily influenced by the local geochemistry of the watershed. The concentrations of radioactive materials vary from region to region and this variation is found to be significantly high in some areas. Some of the regions are rich with the flow of major rivers and estuaries of these rivers, and investigations of these riverine and estuarine aquatic environments would throw light on the transportation, distribution and enrichment mechanism of radionuclides. In this context, the activity of 210 Po and 210 Pb were measured in different matrices of aquatic ecosystem of the major rivers namely, Kali, Sharavathi and Netravathi river of Coastal Karnataka

  15. Sabine absorption coefficients to random incidence absorption coefficients

    DEFF Research Database (Denmark)

    Jeong, Cheol-Ho

    2014-01-01

    into random incidence absorption coefficients for porous absorbers are investigated. Two optimization-based conversion methods are suggested: the surface impedance estimation for locally reacting absorbers and the flow resistivity estimation for extendedly reacting absorbers. The suggested conversion methods...

  16. New and extended parameterization of the thermodynamic model AIOMFAC: calculation of activity coefficients for organic-inorganic mixtures containing carboxyl, hydroxyl, carbonyl, ether, ester, alkenyl, alkyl, and aromatic functional groups

    Science.gov (United States)

    Zuend, A.; Marcolli, C.; Booth, A. M.; Lienhard, D. M.; Soonsin, V.; Krieger, U. K.; Topping, D. O.; McFiggans, G.; Peter, T.; Seinfeld, J. H.

    2011-09-01

    We present a new and considerably extended parameterization of the thermodynamic activity coefficient model AIOMFAC (Aerosol Inorganic-Organic Mixtures Functional groups Activity Coefficients) at room temperature. AIOMFAC combines a Pitzer-like electrolyte solution model with a UNIFAC-based group-contribution approach and explicitly accounts for interactions between organic functional groups and inorganic ions. Such interactions constitute the salt-effect, may cause liquid-liquid phase separation, and affect the gas-particle partitioning of aerosols. The previous AIOMFAC version was parameterized for alkyl and hydroxyl functional groups of alcohols and polyols. With the goal to describe a wide variety of organic compounds found in atmospheric aerosols, we extend here the parameterization of AIOMFAC to include the functional groups carboxyl, hydroxyl, ketone, aldehyde, ether, ester, alkenyl, alkyl, aromatic carbon-alcohol, and aromatic hydrocarbon. Thermodynamic equilibrium data of organic-inorganic systems from the literature are critically assessed and complemented with new measurements to establish a comprehensive database. The database is used to determine simultaneously the AIOMFAC parameters describing interactions of organic functional groups with the ions H+, Li+, Na+, K+, NH4+, Mg2+, Ca2+, Cl-, Br-, NO3-, HSO4-, and SO42-. Detailed descriptions of different types of thermodynamic data, such as vapor-liquid, solid-liquid, and liquid-liquid equilibria, and their use for the model parameterization are provided. Issues regarding deficiencies of the database, types and uncertainties of experimental data, and limitations of the model, are discussed. The challenging parameter optimization problem is solved with a novel combination of powerful global minimization algorithms. A number of exemplary calculations for systems containing atmospherically relevant aerosol components are shown. Amongst others, we discuss aqueous mixtures of ammonium sulfate with

  17. New and extended parameterization of the thermodynamic model AIOMFAC: calculation of activity coefficients for organic-inorganic mixtures containing carboxyl, hydroxyl, carbonyl, ether, ester, alkenyl, alkyl, and aromatic functional groups

    Directory of Open Access Journals (Sweden)

    A. Zuend

    2011-09-01

    Full Text Available We present a new and considerably extended parameterization of the thermodynamic activity coefficient model AIOMFAC (Aerosol Inorganic-Organic Mixtures Functional groups Activity Coefficients at room temperature. AIOMFAC combines a Pitzer-like electrolyte solution model with a UNIFAC-based group-contribution approach and explicitly accounts for interactions between organic functional groups and inorganic ions. Such interactions constitute the salt-effect, may cause liquid-liquid phase separation, and affect the gas-particle partitioning of aerosols. The previous AIOMFAC version was parameterized for alkyl and hydroxyl functional groups of alcohols and polyols. With the goal to describe a wide variety of organic compounds found in atmospheric aerosols, we extend here the parameterization of AIOMFAC to include the functional groups carboxyl, hydroxyl, ketone, aldehyde, ether, ester, alkenyl, alkyl, aromatic carbon-alcohol, and aromatic hydrocarbon. Thermodynamic equilibrium data of organic-inorganic systems from the literature are critically assessed and complemented with new measurements to establish a comprehensive database. The database is used to determine simultaneously the AIOMFAC parameters describing interactions of organic functional groups with the ions H+, Li+, Na+, K+, NH4+, Mg2+, Ca2+, Cl, Br, NO3, HSO4, and SO42−. Detailed descriptions of different types of thermodynamic data, such as vapor-liquid, solid-liquid, and liquid-liquid equilibria, and their use for the model parameterization are provided. Issues regarding deficiencies of the database, types and uncertainties of experimental data, and limitations of the model, are discussed. The challenging parameter optimization problem is solved with a novel combination of powerful global minimization

  18. Cluster-continuum quasichemical theory calculation of the lithium ion solvation in water, acetonitrile and dimethyl sulfoxide: an absolute single-ion solvation free energy scale.

    Science.gov (United States)

    Carvalho, Nathalia F; Pliego, Josefredo R

    2015-10-28

    Absolute single-ion solvation free energy is a very useful property for understanding solution phase chemistry. The real solvation free energy of an ion depends on its interaction with the solvent molecules and on the net potential inside the solute cavity. The tetraphenyl arsonium-tetraphenyl borate (TATB) assumption as well as the cluster-continuum quasichemical theory (CC-QCT) approach for Li(+) solvation allows access to a solvation scale excluding the net potential. We have determined this free energy scale investigating the solvation of the lithium ion in water (H2O), acetonitrile (CH3CN) and dimethyl sulfoxide (DMSO) solvents via the CC-QCT approach. Our calculations at the MP2 and MP4 levels with basis sets up to the QZVPP+diff quality, and including solvation of the clusters and solvent molecules by the dielectric continuum SMD method, predict the solvation free energy of Li(+) as -116.1, -120.6 and -123.6 kcal mol(-1) in H2O, CH3CN and DMSO solvents, respectively (1 mol L(-1) standard state). These values are compatible with the solvation free energy of the proton of -253.4, -253.2 and -261.1 kcal mol(-1) in H2O, CH3CN and DMSO solvents, respectively. Deviations from the experimental TATB scale are only 1.3 kcal mol(-1) in H2O and 1.8 kcal mol(-1) in DMSO solvents. However, in the case of CH3CN, the deviation reaches a value of 9.2 kcal mol(-1). The present study suggests that the experimental TATB scale is inconsistent for CH3CN. A total of 125 values of the solvation free energy of ions in these three solvents were obtained. These new data should be useful for the development of theoretical solvation models.

  19. Assessments of conversion coefficients between equivalent dose and accumulated activity using pre-dose scanning images of patients subjected to radioiodine treatment and the Fax/Egs4 computational model

    International Nuclear Information System (INIS)

    Lopes Filho, Ferdinand de J.; Vieira, Jose W.; Andrade Lima, Fernando R. de

    2008-01-01

    The radioiodine is a technique for treatment of thyroid cancer. In this technique, the patients are submitted to the incorporation of the radioactive substance sodium iodide (Na 131 I), which reacts with physiologically metastasis, thyroid tissue remains of and other organs and tissues of the human body. The locations of these reactions are known as areas of highest concentration, hipercaptured areas, hiperconcentrator areas, 'hot areas' or organ-sources and are viewed through images of nuclear medicine scan known as pre-dose (front and rear). To obtain these images, the patient receives, orally, a quantity of 131 I with low activity (± 74 MBq) and is positioned in the chamber of flicker. According to the attendance of hot areas shown in the images, the doctor determines the nuclear activity to be administered in treatment. This analysis is purely qualitative. In this study, the scanning images of pre-dose were adjusted to the dimensions of FAX voxel phantom, and the hot areas correspond to internal sources of the proposed model. Algorithms were developed to generate particles (photons and electrons) in these regions of the FAX. To estimate the coefficients of conversions between equivalent dose and accumulated activity in major radiosensitive organs, FAX and algorithms source were coupled to the Monte Carlo EGS4 code (Electron Gamma Shower, version 4). With these factors is possible to estimate the equivalent doses in the radiosensitive organs and tissues of patients as long as is know the activity administered and the half-life of organic sources. (author)

  20. Prediction of activity coefficients in liquid aerosol particles containing organic compounds, dissolved inorganic salts, and water—Part 2: Consideration of phase separation effects by an X-UNIFAC model

    Science.gov (United States)

    Chang, Elsa I.; Pankow, James F.

    A thermodynamic model is presented for predicting the formation of particulate matter (PM) within an aerosol that contains organic compounds, inorganic salts, and water. Neutral components are allowed to partition from the gas phase to the PM, with the latter potentially composed of both a primarily aqueous ( α) liquid phase and a primarily organic ( β) liquid phase. Partitioning is allowed to occur without any artificial restraints: when both α and β PM phases are present, ionic constituents are allowed to partition to both. X-UNIFAC.2, an extended UNIFAC method based on Yan et al. (1999. Prediction of vapor-liquid equilibria in mixed-solvent electrolyte systems using the group contribution concept. Fluid Phase Equilibria 162, 97-113), was developed for activity coefficient estimation. X-UNIFAC.2 utilizes the standard UNIFAC terms, a Debye-Hückel term, and a virial equation term that represents the middle-range (MR) contribution to activity coefficient effects. A large number (234) of MR parameters are already available from Yan et al. (1999). Six additional MR parameters were optimized here to enable X-UNIFAC.2 to account for interactions between the carboxylic acid group and Na +, Cl -, and Ca 2+. Predictions of PM formation were made for a hypothetical sabinene/O 3 system with varying amounts of NaCl in the PM. Predictions were also made for the chamber experiments with α-pinene/O 3 (and CaCl 2 seed) carried out by Cocker et al. (2001. The effect of water on gas-particle partitioning of secondary organic aerosol. Part I. α-pinene/ozone system. Atmospheric Environment 35, 6049-6072); good agreement between the predicted and chamber-measured PM mass concentrations was achieved.

  1. Measurements of mass-fraction activity coefficient at infinite dilution of aliphatic and aromatic hydrocarbons, thiophene, alcohols, water, ethers, and ketones in hyperbranched polymer, Boltorn H2004, using inverse gas chromatography

    Energy Technology Data Exchange (ETDEWEB)

    Domanska, Urszula, E-mail: ula@ch.pw.edu.p [Department of Physical Chemistry, Faculty of Chemistry, Warsaw University of Technology, Noakowskiego 3, 00-664 Warsaw (Poland); Zolek-Tryznowska, Zuzanna [Department of Physical Chemistry, Faculty of Chemistry, Warsaw University of Technology, Noakowskiego 3, 00-664 Warsaw (Poland)

    2010-03-15

    Thermodynamic properties of the hyperbranched polymer, Boltorn H2004 (B-H2004), were investigated by inverse gas chromatography with 42 different solvents: n-alkanes (C{sub 5}-C{sub 10}), cycloalkanes (C{sub 5}-C{sub 8}), alkenes (C{sub 5}-C{sub 8}), alkynes (C{sub 5}-C{sub 8}), aromatic hydrocarbons (benzene, toluene, ethylbenzene, o-, m-, p-xylene, thiophene), alcohols (C{sub 1}-C{sub 5}), water, ethers (tetrahydrofuran (THF), methyl-tert-butylether (MTBE), diethyl-, di-n-propyl-, di-n-butyl ether), and ketones (acetone, 2-pentanone, 3-pentanone, 2-hexanone, 3-hexanone, cyclopentanone) at the temperatures from (308.15 to 348.15) K using the inverse gas chromatography (IGC). The density and thermophysical properties of polymer were described. The specific retention volume (V{sub g}), the mass-fraction activity coefficient at infinite dilution (OMEGA{sub 13}{sup i}nfinity), the Flory-Huggins interaction parameter (chi{sub 13}{sup i}nfinity), the molar enthalpy of sorption in the polymer (DELTA{sub s}H), the partial molar excess enthalpy at infinite dilution (DELTAH{sub 1}{sup E,i}nfinity), the molar enthalpy of vaporization to the ideal-gas state for the pure solutes (DELTA{sub vap}H{sup 0}), the partial molar Gibbs excess energy at infinite dilution (DELTAG{sub 1}{sup E,i}nfinity), and the solubility parameter of the polymer (delta{sub 3}), were calculated. The UNIFAC-FV model was used to predict the mass-fraction activity coefficient at infinite dilution for different solutes in the B-H2004 polymer.

  2. Kuznetsov equation with variable coefficients

    Indian Academy of Sciences (India)

    like solutions of the PDE in (2+1) dimension with variable coefficients. ... Shivamoggi [12] gives only four polynomial conservation laws of the ZK equation ..... [3] P J Olver, Application of Lie group to differential equation (Springer, New York,.

  3. Formulas for activity coefficients of individual ions

    NARCIS (Netherlands)

    Ritsema, C.J.; Bloemer, F.

    1986-01-01

    For chemical calculations with gaseous equilibria and for non-ionic reactions in solution one can calculate in terms of concentrations to a fairly good approximation. However, in dealing with ionic reactions, with certain aspects of kinetics in solution, and with elcetromotive force studies,

  4. Fuel Temperature Coefficient of Reactivity

    Energy Technology Data Exchange (ETDEWEB)

    Loewe, W.E.

    2001-07-31

    A method for measuring the fuel temperature coefficient of reactivity in a heterogeneous nuclear reactor is presented. The method, which is used during normal operation, requires that calibrated control rods be oscillated in a special way at a high reactor power level. The value of the fuel temperature coefficient of reactivity is found from the measured flux responses to these oscillations. Application of the method in a Savannah River reactor charged with natural uranium is discussed.

  5. Clustering Coefficients for Correlation Networks

    Directory of Open Access Journals (Sweden)

    Naoki Masuda

    2018-03-01

    Full Text Available Graph theory is a useful tool for deciphering structural and functional networks of the brain on various spatial and temporal scales. The clustering coefficient quantifies the abundance of connected triangles in a network and is a major descriptive statistics of networks. For example, it finds an application in the assessment of small-worldness of brain networks, which is affected by attentional and cognitive conditions, age, psychiatric disorders and so forth. However, it remains unclear how the clustering coefficient should be measured in a correlation-based network, which is among major representations of brain networks. In the present article, we propose clustering coefficients tailored to correlation matrices. The key idea is to use three-way partial correlation or partial mutual information to measure the strength of the association between the two neighboring nodes of a focal node relative to the amount of pseudo-correlation expected from indirect paths between the nodes. Our method avoids the difficulties of previous applications of clustering coefficient (and other measures in defining correlational networks, i.e., thresholding on the correlation value, discarding of negative correlation values, the pseudo-correlation problem and full partial correlation matrices whose estimation is computationally difficult. For proof of concept, we apply the proposed clustering coefficient measures to functional magnetic resonance imaging data obtained from healthy participants of various ages and compare them with conventional clustering coefficients. We show that the clustering coefficients decline with the age. The proposed clustering coefficients are more strongly correlated with age than the conventional ones are. We also show that the local variants of the proposed clustering coefficients (i.e., abundance of triangles around a focal node are useful in characterizing individual nodes. In contrast, the conventional local clustering coefficients

  6. Non-constant retardation coefficient

    International Nuclear Information System (INIS)

    Wang Zhiming; Gu Zhijie; Yang Yue'e; Li Shushen

    2004-12-01

    Retardation coefficient is one of the important parameters used in transport models describing radionuclide migration in geological media and usually regarded as a constant in the models. The objectives of the work are to understand: (1) Whether the retardation coefficient, R d , is a constant? (2) How much effect is R d on calculated consequence if R d is not constant? (3) Is the retardation coefficient derived from distribution coefficient, k d , according to conventional equation suitable for safety assessment? The objectives are achieved through test and analysis of the test results on radionuclide migration in unsaturated loess. It can be seen from the results that retardation coefficient, R d , of 85 Sr is not constant and increases with water content, θ, under unsaturated condition. R d , of 85 Sr derived from k d according to conventional equation can not be used for safety assessment. R d , used for safety assessment should be directly measured, rather than derived from k d . It is shown from calculation that the effect of R d on calculated consequence is very considerable. (authors)

  7. Rate coefficient for the reaction N + NO

    Science.gov (United States)

    Fox, J. L.

    1994-01-01

    Evidence has been advanced that the rate coefficient for the reaction N + NO right arrow N2 + O has a small positive temperature dependence at the high temperatures (900 to 1500 K) that prevail in the terrestrial middle and upper thermosphere by Siskind and Rusch (1992), and at the low temperatures (100 to 200 K) of the Martian lower thermosphere by Fox (1993). Assuming that the rate coefficient recommended by the Jet Propulsion Laboratory evaluation (DeMore et al., 1992) is accurate at 300 K, we derive here the low temperature value of the activation energy for this reaction and thus the rate coefficient that best fits the Viking 1 measured NO densities. We find that the fit is acceptable for a rate coefficient of about 1.3 x 10(exp -10)(T/300)(exp 0.5)exp(-400/T) and better for a value of about 2.5 x 10(exp -10)(T/300)(exp 0.5)exp(-600/T)cu cm/s.

  8. Coefficient estimates of negative powers and inverse coefficients for ...

    Indian Academy of Sciences (India)

    1 an(−λ, f )zn for z ∈ D. (1.4). One of the well-known extremal problems in the theory of univalent functions is to esti- mate the modulus of the Taylor coefficients an(−λ, f ) given by (1.4). This problem has been extensively studied in the literature ...

  9. Harmonic functions with varying coefficients

    Directory of Open Access Journals (Sweden)

    Jacek Dziok

    2016-05-01

    Full Text Available Abstract Complex-valued harmonic functions that are univalent and sense preserving in the open unit disk can be written in the form f = h + g ‾ $f=h+\\overline{g}$ , where h and g are analytic. In this paper we investigate some classes of univalent harmonic functions with varying coefficients related to Janowski functions. By using the extreme points theory we obtain necessary and sufficient convolution conditions, coefficients estimates, distortion theorems, and integral mean inequalities for these classes of functions. The radii of starlikeness and convexity for these classes are also determined.

  10. Integer Solutions of Binomial Coefficients

    Science.gov (United States)

    Gilbertson, Nicholas J.

    2016-01-01

    A good formula is like a good story, rich in description, powerful in communication, and eye-opening to readers. The formula presented in this article for determining the coefficients of the binomial expansion of (x + y)n is one such "good read." The beauty of this formula is in its simplicity--both describing a quantitative situation…

  11. Effective Viscosity Coefficient of Nanosuspensions

    Science.gov (United States)

    Rudyak, V. Ya.; Belkin, A. A.; Egorov, V. V.

    2008-12-01

    Systematic calculations of the effective viscosity coefficient of nanosuspensions have been performed using the molecular dynamics method. It is established that the viscosity of a nanosuspension depends not only on the volume concentration of the nanoparticles but also on their mass and diameter. Differences from Einstein's relation are found even for nanosuspensions with a low particle concentration.

  12. Irrational "Coefficients" in Renaissance Algebra.

    Science.gov (United States)

    Oaks, Jeffrey A

    2017-06-01

    Argument From the time of al-Khwārizmī in the ninth century to the beginning of the sixteenth century algebraists did not allow irrational numbers to serve as coefficients. To multiply by x, for instance, the result was expressed as the rhetorical equivalent of . The reason for this practice has to do with the premodern concept of a monomial. The coefficient, or "number," of a term was thought of as how many of that term are present, and not as the scalar multiple that we work with today. Then, in sixteenth-century Europe, a few algebraists began to allow for irrational coefficients in their notation. Christoff Rudolff (1525) was the first to admit them in special cases, and subsequently they appear more liberally in Cardano (1539), Scheubel (1550), Bombelli (1572), and others, though most algebraists continued to ban them. We survey this development by examining the texts that show irrational coefficients and those that argue against them. We show that the debate took place entirely in the conceptual context of premodern, "cossic" algebra, and persisted in the sixteenth century independent of the development of the new algebra of Viète, Decartes, and Fermat. This was a formal innovation violating prevailing concepts that we propose could only be introduced because of the growing autonomy of notation from rhetorical text.

  13. Verifying reciprocal relations for experimental diffusion coefficients in multicomponent mixtures

    DEFF Research Database (Denmark)

    Medvedev, Oleg; Shapiro, Alexander

    2003-01-01

    into Onsager coefficients and a subsequent symmetry check make it possible to evaluate different thermodynamic models with regard to their possibility of being used for prediction of the transport properties. We performed several checks of this kind for ternary mixtures of hydrocarbons and alcohols, where......The goal of the present study is to verify the agreement of the available data on diffusion in ternary mixtures with the theoretical requirement of linear non-equilibrium thermodynamics consisting in symmetry of the matrix of the phenomenological coefficients. A common set of measured diffusion...... diffusion coefficients into Onsager coefficients for a non-ideal mixture involves derivatives of the chemical potentials and, thus, should be based on a certain thermodynamic model (cubic equation of state (EoS), an activity coefficient model, etc.). Transformation of the Fickian diffusion coefficients...

  14. Activity coefficients of NiO and CoO in CaO-Al2O3-SiO2 slag and their application to the recycling of Ni-Co-Fe-based end-of-life superalloys via remelting

    Science.gov (United States)

    Lu, Xin; Miki, Takahiro; Nagasaka, Tetsuya

    2017-01-01

    To design optimal pyrometallurgical processes for nickel and cobalt recycling, and more particularly for the end-of-life process of Ni-Co-Fe-based end-of-life (EoL) superalloys, knowledge of their activity coefficients in slags is essential. In this study, the activity coefficients of NiO and CoO in CaO-Al2O3-SiO2 slag, a candidate slag used for the EoL superalloy remelting process, were measured using gas/slag/metal equilibrium experiments. These activity coefficients were then used to consider the recycling efficiency of nickel and cobalt by remelting EoL superalloys using CaO-Al2O3-SiO2 slag. The activity coefficients of NiO and CoO in CaO-Al2O3-SiO2 slag both show a positive deviation from Raoult's law, with values that vary from 1 to 5 depending on the change in basicity. The activity coefficients of NiO and CoO peak in the slag with a composition near B = (%CaO)/(%SiO2) = 1, where B is the basicity. We observed that controlling the slag composition at approximately B = 1 effectively reduces the cobalt and nickel oxidation losses and promotes the oxidation removal of iron during the remelting process of EoL superalloys.

  15. Calculation of NaCl, KCl and LiCl Salts Activity Coefficients in Polyethylene Glycol (PEG4000)-Water System Using Modified PHSC Equation of State, Extended Debye-Hückel Model and Pitzer Model

    Science.gov (United States)

    Marjani, Azam

    2016-07-01

    For biomolecules and cell particles purification and separation in biological engineering, besides the chromatography as mostly applied process, aqueous two-phase systems (ATPS) are of the most favorable separation processes that are worth to be investigated in thermodynamic theoretically. In recent years, thermodynamic calculation of ATPS properties has attracted much attention due to their great applications in chemical industries such as separation processes. These phase calculations of ATPS have inherent complexity due to the presence of ions and polymers in aqueous solution. In this work, for target ternary systems of polyethylene glycol (PEG4000)-salt-water, thermodynamic investigation for constituent systems with three salts (NaCl, KCl and LiCl) has been carried out as PEG is the most favorable polymer in ATPS. The modified perturbed hard sphere chain (PHSC) equation of state (EOS), extended Debye-Hückel and Pitzer models were employed for calculation of activity coefficients for the considered systems. Four additional statistical parameters were considered to ensure the consistency of correlations and introduced as objective functions in the particle swarm optimization algorithm. The results showed desirable agreement to the available experimental data, and the order of recommendation of studied models is PHSC EOS > extended Debye-Hückel > Pitzer. The concluding remark is that the all the employed models are reliable in such calculations and can be used for thermodynamic correlation/predictions; however, by using an ion-based parameter calculation method, the PHSC EOS reveals both reliability and universality of applications.

  16. Extinction Coefficient of Gold Nanostars

    OpenAIRE

    de Puig, Helena; Tam, Justina O.; Yen, Chun-Wan; Gehrke, Lee; Hamad-Schifferli, Kimberly

    2015-01-01

    Gold nanostars (NStars) are highly attractive for biological applications due to their surface chemistry, facile synthesis and optical properties. Here, we synthesize NStars in HEPES buffer at different HEPES/Au ratios, producing NStars of different sizes and shapes, and therefore varying optical properties. We measure the extinction coefficient of the synthesized NStars at their maximum surface plasmon resonances (SPR), which range from 5.7 × 108 to 26.8 × 108 M−1cm−1. Measured values correl...

  17. Study of transport coefficients of nanodiamond nanofluids

    Science.gov (United States)

    Pryazhnikov, M. I.; Minakov, A. V.; Guzei, D. V.

    2017-09-01

    Experimental data on the thermal conductivity coefficient and viscosity coefficient of nanodiamond nanofluids are presented. Distilled water and ethylene glycol were used as the base fluid. Dependences of transport coefficients on concentration are obtained. It was shown that the thermal conductivity coefficient increases with increasing nanodiamonds concentration. It was shown that base fluids properties and nanodiamonds concentration affect on the rheology of nanofluids.

  18. Measurements of thermal accommodation coefficients.

    Energy Technology Data Exchange (ETDEWEB)

    Rader, Daniel John; Castaneda, Jaime N.; Torczynski, John Robert; Grasser, Thomas W.; Trott, Wayne Merle

    2005-10-01

    A previously-developed experimental facility has been used to determine gas-surface thermal accommodation coefficients from the pressure dependence of the heat flux between parallel plates of similar material but different surface finish. Heat flux between the plates is inferred from measurements of temperature drop between the plate surface and an adjacent temperature-controlled water bath. Thermal accommodation measurements were determined from the pressure dependence of the heat flux for a fixed plate separation. Measurements of argon and nitrogen in contact with standard machined (lathed) or polished 304 stainless steel plates are indistinguishable within experimental uncertainty. Thus, the accommodation coefficient of 304 stainless steel with nitrogen and argon is estimated to be 0.80 {+-} 0.02 and 0.87 {+-} 0.02, respectively, independent of the surface roughness within the range likely to be encountered in engineering practice. Measurements of the accommodation of helium showed a slight variation with 304 stainless steel surface roughness: 0.36 {+-} 0.02 for a standard machine finish and 0.40 {+-} 0.02 for a polished finish. Planned tests with carbon-nanotube-coated plates will be performed when 304 stainless-steel blanks have been successfully coated.

  19. Extinction Coefficient of Gold Nanostars.

    Science.gov (United States)

    de Puig, Helena; Tam, Justina O; Yen, Chun-Wan; Gehrke, Lee; Hamad-Schifferli, Kimberly

    2015-07-30

    Gold nanostars (NStars) are highly attractive for biological applications due to their surface chemistry, facile synthesis and optical properties. Here, we synthesize NStars in HEPES buffer at different HEPES/Au ratios, producing NStars of different sizes and shapes, and therefore varying optical properties. We measure the extinction coefficient of the synthesized NStars at their maximum surface plasmon resonances (SPR), which range from 5.7 × 10 8 to 26.8 × 10 8 M -1 cm -1 . Measured values correlate with those obtained from theoretical models of the NStars using the discrete dipole approximation (DDA), which we use to simulate the extinction spectra of the nanostars. Finally, because NStars are typically used in biological applications, we conjugate DNA and antibodies to the NStars and calculate the footprint of the bound biomolecules.

  20. Kerr scattering coefficients via isomonodromy

    Energy Technology Data Exchange (ETDEWEB)

    Cunha, Bruno Carneiro da [Departamento de Física, Universidade Federal de Pernambuco,50670-901, Recife, Pernambuco (Brazil); Novaes, Fábio [International Institute of Physics, Federal University of Rio Grande do Norte,Av. Odilon Gomes de Lima 1722, Capim Macio, Natal-RN 59078-400 (Brazil)

    2015-11-23

    We study the scattering of a massless scalar field in a generic Kerr background. Using a particular gauge choice based on the current conservation of the radial equation, we give a generic formula for the scattering coefficient in terms of the composite monodromy parameter σ between the inner and the outer horizons. Using the isomonodromy flow, we calculate σ exactly in terms of the Painlevé V τ-function. We also show that the eigenvalue problem for the angular equation (spheroidal harmonics) can be calculated using the same techniques. We use recent developments relating the Painlevé V τ-function to Liouville irregular conformal blocks to claim that this scattering problem is solved in the combinatorial sense, with known expressions for the τ-function near the critical points.

  1. Factorization of Transport Coefficients in Macroporous Media

    DEFF Research Database (Denmark)

    Shapiro, Alexander; Stenby, Erling Halfdan

    2000-01-01

    We prove the fundamental theorem about factorization of the phenomenological coefficients for transport in macroporous media. By factorization we mean the representation of the transport coefficients as products of geometric parameters of the porous medium and the parameters characteristic...

  2. Symmetry chains and adaptation coefficients

    International Nuclear Information System (INIS)

    Fritzer, H.P.; Gruber, B.

    1985-01-01

    Given a symmetry chain of physical significance it becomes necessary to obtain states which transform properly with respect to the symmetries of the chain. In this article we describe a method which permits us to calculate symmetry-adapted quantum states with relative ease. The coefficients for the symmetry-adapted linear combinations are obtained, in numerical form, in terms of the original states of the system and can thus be represented in the form of numerical tables. In addition, one also obtains automatically the matrix elements for the operators of the symmetry groups which are involved, and thus for any physical operator which can be expressed either as an element of the algebra or of the enveloping algebra. The method is well suited for computers once the physically relevant symmetry chain, or chains, have been defined. While the method to be described is generally applicable to any physical system for which semisimple Lie algebras play a role we choose here a familiar example in order to illustrate the method and to illuminate its simplicity. We choose the nuclear shell model for the case of two nucleons with orbital angular momentum l = 1. While the states of the entire shell transform like the smallest spin representation of SO(25) we restrict our attention to its subgroup SU(6) x SU(2)/sub T/. We determine the symmetry chains which lead to total angular momentum SU(2)/sub J/ and obtain the symmetry-adapted states for these chains

  3. Computation of methodology-independent single-ion solvation properties from molecular simulations. IV. Optimized Lennard-Jones interaction parameter sets for the alkali and halide ions in water

    Science.gov (United States)

    Reif, Maria M.; Hünenberger, Philippe H.

    2011-04-01

    The raw single-ion solvation free energies computed from atomistic (explicit-solvent) simulations are extremely sensitive to the boundary conditions and treatment of electrostatic interactions used during these simulations. However, as shown recently [M. A. Kastenholz and P. H. Hünenberger, J. Chem. Phys. 124, 224501 (2006), 10.1529/biophysj.106.083667; M. M. Reif and P. H. Hünenberger, J. Chem. Phys. 134, 144103 (2010)], the application of appropriate correction terms permits to obtain methodology-independent results. The corrected values are then exclusively characteristic of the underlying molecular model including in particular the ion-solvent van der Waals interaction parameters, determining the effective ion size and the magnitude of its dispersion interactions. In the present study, the comparison of calculated (corrected) hydration free energies with experimental data (along with the consideration of ionic polarizabilities) is used to calibrate new sets of ion-solvent van der Waals (Lennard-Jones) interaction parameters for the alkali (Li+, Na+, K+, Rb+, Cs+) and halide (F-, Cl-, Br-, I-) ions along with either the SPC or the SPC/E water models. The experimental dataset is defined by conventional single-ion hydration free energies [Tissandier et al., J. Phys. Chem. A 102, 7787 (1998), 10.1021/jp982638r; Fawcett, J. Phys. Chem. B 103, 11181] along with three plausible choices for the (experimentally elusive) value of the absolute (intrinsic) hydration free energy of the proton, namely, Δ G_hyd^{ominus }[H+] = -1100, -1075 or -1050 kJ mol-1, resulting in three sets L, M, and H for the SPC water model and three sets LE, ME, and HE for the SPC/E water model (alternative sets can easily be interpolated to intermediate Δ G_hyd^{ominus }[H+] values). The residual sensitivity of the calculated (corrected) hydration free energies on the volume-pressure boundary conditions and on the effective ionic radius entering into the calculation of the correction terms is

  4. Modelling the change in the oxidation coefficient during the aerobic ...

    African Journals Online (AJOL)

    In this work the aerobic degradation of phenol by acclimated activated sludge was studied. Results demonstrate that while the phenol removal rate by acclimated activated sludge follows the Monod model, the oxygen uptake rate obeys a Haldane-type equation. The phenol oxidation coefficient obtained at different intial ...

  5. Standards for Standardized Logistic Regression Coefficients

    Science.gov (United States)

    Menard, Scott

    2011-01-01

    Standardized coefficients in logistic regression analysis have the same utility as standardized coefficients in linear regression analysis. Although there has been no consensus on the best way to construct standardized logistic regression coefficients, there is now sufficient evidence to suggest a single best approach to the construction of a…

  6. Anomalous Seebeck coefficient in boron carbides

    International Nuclear Information System (INIS)

    Aselage, T.L.; Emin, D.; Wood, C.; Mackinnon, I.D.R.; Howard, I.A.

    1987-01-01

    Boron carbides exhibit an anomalously large Seebeck coefficient with a temperature coefficient that is characteristic of polaronic hopping between inequivalent sites. The inequivalence in the sites is associated with disorder in the solid. The temperature dependence of the Seebeck coefficient for materials prepared by different techniques provides insight into the nature of the disorder

  7. Coefficient rings of formal group laws

    International Nuclear Information System (INIS)

    Buchstaber, V M; Ustinov, A V

    2015-01-01

    We describe the coefficient rings of universal formal group laws which arise in algebraic geometry, algebraic topology and their application to mathematical physics. We also describe the homomorphisms of these coefficient rings coming from reductions of one formal group law to another. The proofs are based on the number-theoretic properties of binomial coefficients. Bibliography: 37 titles

  8. Soccer Ball Lift Coefficients via Trajectory Analysis

    Science.gov (United States)

    Goff, John Eric; Carre, Matt J.

    2010-01-01

    We performed experiments in which a soccer ball was launched from a machine while two high-speed cameras recorded portions of the trajectory. Using the trajectory data and published drag coefficients, we extracted lift coefficients for a soccer ball. We determined lift coefficients for a wide range of spin parameters, including several spin…

  9. Diffusion coefficient in photon diffusion theory

    NARCIS (Netherlands)

    Graaff, R; Ten Bosch, JJ

    2000-01-01

    The choice of the diffusion coefficient to be used in photon diffusion theory has been a subject of discussion in recent publications on tissue optics. We compared several diffusion coefficients with the apparent diffusion coefficient from the more fundamental transport theory, D-app. Application to

  10. Limits of the memory coefficient in measuring correlated bursts

    Science.gov (United States)

    Jo, Hang-Hyun; Hiraoka, Takayuki

    2018-03-01

    Temporal inhomogeneities in event sequences of natural and social phenomena have been characterized in terms of interevent times and correlations between interevent times. The inhomogeneities of interevent times have been extensively studied, while the correlations between interevent times, often called correlated bursts, are far from being fully understood. For measuring the correlated bursts, two relevant approaches were suggested, i.e., memory coefficient and burst size distribution. Here a burst size denotes the number of events in a bursty train detected for a given time window. Empirical analyses have revealed that the larger memory coefficient tends to be associated with the heavier tail of the burst size distribution. In particular, empirical findings in human activities appear inconsistent, such that the memory coefficient is close to 0, while burst size distributions follow a power law. In order to comprehend these observations, by assuming the conditional independence between consecutive interevent times, we derive the analytical form of the memory coefficient as a function of parameters describing interevent time and burst size distributions. Our analytical result can explain the general tendency of the larger memory coefficient being associated with the heavier tail of burst size distribution. We also find that the apparently inconsistent observations in human activities are compatible with each other, indicating that the memory coefficient has limits to measure the correlated bursts.

  11. Energy coefficients for a propeller series

    DEFF Research Database (Denmark)

    Olsen, Anders Smærup

    2004-01-01

    The efficiency for a propeller is calculated by energy coefficients. These coefficients are related to four types of losses, i.e. the axial, the rotational, the frictional, and the finite blade number loss, and one gain, i.e. the axial gain. The energy coefficients are derived by use...... of the potential theory with the propeller modelled as an actuator disk. The efficiency based on the energy coefficients is calculated for a propeller series. The results show a good agreement between the efficiency based on the energy coefficients and the efficiency obtained by a vortex-lattice method....

  12. Prediction of activity coefficients in liquid aerosol particles containing organic compounds, dissolved inorganic salts, and water—Part 1: Organic compounds and water by consideration of short- and long-range effects using X-UNIFAC.1

    Science.gov (United States)

    Erdakos, Garnet B.; Asher, William E.; Seinfeld, John H.; Pankow, James F.

    The semi-empirical group contribution method (GCM) of Kikic et al. [Chem. Eng. Sci. 46 (1991) 2775-2780] for estimating activity coefficient ( ζ) values of neutral organic compounds and water in solutions composed of organic compounds, dissolved inorganic salts, and water is adapted for application to atmospheric particulate matter (PM). It is assumed that ζ values are determined by a combination of short- and long-range interactions. The ζ expression involves conventional UNIFAC terms and a Debye-Hückel term, with the former computed using group-group interaction parameters. Organic-organic interaction parameters are assigned the values from the UNIFAC-LLE model of Magnussen et al. [Ind. Eng. Chem. Process Design Develop. 20 (1981) 331-339]. Forty interaction parameters (ion-solvent group and anion-cation) were obtained from Kikic et al. [Chem. Eng. Sci. 46 (1991) 2775-2780], Achard et al. [Fluid Phase Equilibria 98 (1994) 71-89], and Ming and Russell [Am. Inst. Chem. Eng. J. 48 (2002) 1331-1348]. Twenty additional interaction parameters (ion-solvent group) are estimated based on 879 UNIQUAC-fitted ζ values for organic compounds and water. The fitted ζ values are based on liquid-liquid equilibrium (LLE) data for a range of ternary and quaternary organic/inorganic salt/water mixtures at 293-308 K. The UNIQUAC fits are analogous to those described by Fredenslund et al. [Vapor-Liquid Equilibria Using UNIFAC: A Group-Contribution Method, Elsevier Scientific Publishing, New York, 1977]. The LLE mixture compositions range from primarily organic solutions to primarily aqueous solutions with maximum ionic strengths of ˜5 mol kg -1. The groups characteristic of organic compounds found in atmospheric PM considered here include: CH 3-, -CH 2-, -CH|-, -C||-, -OH, -CH 2CO-, and -COOH. These are: single bonded carbon with three, two, one, and zero hydrogens, respectively, hydroxyl, -CH 2-carbonyl, and carboxyl, respectively. The inorganic salts represented in the mixture

  13. Index-free heat kernel coefficients

    Science.gov (United States)

    van de Ven, Anton E. M.

    1998-08-01

    Using index-free notation, we present the diagonal values 0264-9381/15/8/014/img1 of the first five heat kernel coefficients 0264-9381/15/8/014/img2 associated with a general Laplace-type operator on a compact Riemannian space without boundary. The fifth coefficient 0264-9381/15/8/014/img3 appears here for the first time. For the special case of a flat space, but with a gauge connection, the sixth coefficient is given too. Also provided are the leading terms for any coefficient, both in ascending and descending powers of the Yang-Mills and Riemann curvatures, to the same order as required for the fourth coefficient. These results are obtained by directly solving the relevant recursion relations, working in the Fock-Schwinger gauge and Riemann normal coordinates. Our procedure is thus non-covariant, but we show that for any coefficient the `gauged', respectively `curved', version is found from the corresponding `non-gauged', respectively `flat', coefficient by making some simple covariant substitutions. These substitutions being understood, the coefficients retain their `flat' form and size. In this sense the fifth and sixth coefficient have only 26 and 75 terms, respectively, allowing us to write them down. Using index-free notation also clarifies the general structure of the heat kernel coefficients. In particular, in flat space we find that from the fifth coefficient onward, certain scalars are absent. This may be relevant for the anomalies of quantum field theories in ten or more dimensions.

  14. Calculation of self-diffusion coefficients in iron

    Directory of Open Access Journals (Sweden)

    Baohua Zhang

    2014-01-01

    Full Text Available On the basis of available P-V-T equation of state of iron, the temperature and pressure dependence of self-diffusion coefficients in iron polymorphs (α, δ, γ and ɛ phases have been successfully reproduced in terms of the bulk elastic and expansivity data by means of a thermodynamical model that interconnects point defects parameters with bulk properties. The calculated diffusion parameters, such as self-diffusion coefficient, activation energy and activation volume over a broad temperature range (500-2500 K and pressure range (0-100 GPa, compare favorably well with experimental or theoretical ones when the uncertainties are considered.

  15. Reproducibility of The Random Incidence Absorption Coefficient Converted From the Sabine Absorption Coefficient

    DEFF Research Database (Denmark)

    Jeong, Cheol-Ho; Chang, Ji-ho

    2015-01-01

    Absorption coefficients measured in reverberation chambers, Sabine absorption coefficients, suffer from two major problems. Firstly, they sometimes exceed unity. Secondly, the reproducibility of the Sabine absorption coefficients is quite poor, meaning that the Sabine absorption coefficients vary...... resistivity optimization outperforms the surface impedance optimization in terms of the reproducibility....

  16. Apparatus for measurement of coefficient of friction

    Science.gov (United States)

    Slifka, A. J.; Siegwarth, J. D.; Sparks, L. L.; Chaudhuri, Dilip K.

    1990-01-01

    An apparatus designed to measure the coefficient of friction in certain controlled atmospheres is described. The coefficient of friction observed during high-load tests was nearly constant, with an average value of 0.56. This value is in general agreement with that found in the literature and also with the initial friction coefficient value of 0.67 measured during self-mated friction of 440C steel in an oxygen environment.

  17. Extended obstruction tensors and renormalized volume coefficients

    OpenAIRE

    Graham, C. Robin

    2009-01-01

    The behavior under conformal change of the renormalized volume coefficients associated to a pseudo-Riemannian metric is investigated. It is shown that they define second order fully nonlinear operators in the conformal factor whose algebraic structure is elucidated via the introduction of "extended obstruction tensors". These together with the Schouten tensor constitute building blocks for the coefficients in the ambient metric expansion. The renormalized volume coefficients have recently bee...

  18. Index-free Heat Kernel Coefficients

    OpenAIRE

    van de Ven, Anton E. M.

    1997-01-01

    Using index-free notation, we present the diagonal values of the first five heat kernel coefficients associated with a general Laplace-type operator on a compact Riemannian space without boundary. The fifth coefficient appears here for the first time. For a flat space with a gauge connection, the sixth coefficient is given too. Also provided are the leading terms for any coefficient, both in ascending and descending powers of the Yang-Mills and Riemann curvatures, to the same order as require...

  19. Comparing linear probability model coefficients across groups

    DEFF Research Database (Denmark)

    Holm, Anders; Ejrnæs, Mette; Karlson, Kristian Bernt

    2015-01-01

    This article offers a formal identification analysis of the problem in comparing coefficients from linear probability models between groups. We show that differences in coefficients from these models can result not only from genuine differences in effects, but also from differences in one or more...... of the following three components: outcome truncation, scale parameters and distributional shape of the predictor variable. These results point to limitations in using linear probability model coefficients for group comparisons. We also provide Monte Carlo simulations and real examples to illustrate...... these limitations, and we suggest a restricted approach to using linear probability model coefficients in group comparisons....

  20. Rate coefficients for hydrogen abstraction reaction of pinonaldehyde

    Indian Academy of Sciences (India)

    The H abstraction reaction from the –CHO group was found to be the most dominant reaction channelamong all the possible reaction pathways and its corresponding rate coefficient at 300 K is kEckart's unsymmetrical= 3.86 ×10-10 cm3 molecule-1 s-1. Whereas the channel with immediate lower activation energy is the ...

  1. Rate coefficients for hydrogen abstraction reaction of pinonaldehyde ...

    Indian Academy of Sciences (India)

    The H abstraction reaction from the –CHO group was found to be the most dominant reaction channelamong all the possible reaction pathways and its corresponding rate coefficient at 300 K is kEckart's unsymmetrical= 3.86 ×10-10 cm3 molecule-1 s-1. Whereas the channel with immediate lower activation energy is the ...

  2. Probability based calibration of pressure coefficients

    DEFF Research Database (Denmark)

    Hansen, Svend Ole; Pedersen, Marie Louise; Sørensen, John Dalsgaard

    2015-01-01

    .3, the Eurocode partial factor of 1.5 for variable actions agrees well with the inherent uncertainties of wind actions when the pressure coefficients are determined using wind tunnel test results. The increased bias and uncertainty when pressure coefficients mainly are based on structural codes lead to a larger...

  3. Problems with Discontinuous Diffusion/Dispersion Coefficients

    Directory of Open Access Journals (Sweden)

    Stefano Ferraris

    2012-01-01

    accurate on smooth solutions and based on a special numerical treatment of the diffusion/dispersion coefficients that makes its application possible also when such coefficients are discontinuous. Numerical experiments confirm the convergence of the numerical approximation and show a good behavior on a set of benchmark problems in two space dimensions.

  4. Parabolic by Shilov systems with variable coefficients

    Directory of Open Access Journals (Sweden)

    V. A. Litovchenko

    2017-12-01

    Full Text Available Because of the parabolic instability of the Shilov systems to change their coefficients, the definition parabolicity of Shilov for systems with time-dependent $t$ coefficients, unlike the definition parabolicity of Petrovsky, is formulated by imposing conditions on the matricant of corresponding dual by Fourier system. For parabolic systems by Petrovsky with time-dependent coefficients, these conditions are the property of a matricant, which follows directly from the definition of parabolicity. In connection with this, the question of the wealth of the class Shilov systems with time-dependent coefficients is important.A new class of linear parabolic systems with partial derivatives to the first order by the time $t$ with time-dependent coefficients is considered in this work. It covers the class by Petrovsky systems with time-dependent younger coefficients. A main part of differential expression of each such system is parabolic (by Shilov expression with constant coefficients. The fundamental solution of the Cauchy problem for systems of this class is constructed by the Fourier transform method. Also proved their parabolicity by Shilov. Only the structure of the system and the conditions on the eigenvalues of the matrix symbol were used. First of all, this class characterizes the wealth by Shilov class of systems with time-dependents coefficients.Also it is given a general method for investigating a fundamental solution of the Cauchy problem for Shilov parabolic systems with positive genus, which is the development of the well-known method of Y.I. Zhitomirskii.

  5. A gain-coefficient switched Alexandrite laser

    International Nuclear Information System (INIS)

    Lee, Chris J; Van der Slot, Peter J M; Boller, Klaus-J

    2013-01-01

    We report on a gain-coefficient switched Alexandrite laser. An electro-optic modulator is used to switch between high and low gain states by making use of the polarization dependent gain of Alexandrite. In gain-coefficient switched mode, the laser produces 85 ns pulses with a pulse energy of 240 mJ at a repetition rate of 5 Hz.

  6. Prediction of friction coefficients for gases

    Science.gov (United States)

    Taylor, M. F.

    1969-01-01

    Empirical relations are used for correlating laminar and turbulent friction coefficients for gases, with large variations in the physical properties, flowing through smooth tubes. These relations have been used to correlate friction coefficients for hydrogen, helium, nitrogen, carbon dioxide and air.

  7. Coefficient Alpha Bootstrap Confidence Interval under Nonnormality

    Science.gov (United States)

    Padilla, Miguel A.; Divers, Jasmin; Newton, Matthew

    2012-01-01

    Three different bootstrap methods for estimating confidence intervals (CIs) for coefficient alpha were investigated. In addition, the bootstrap methods were compared with the most promising coefficient alpha CI estimation methods reported in the literature. The CI methods were assessed through a Monte Carlo simulation utilizing conditions…

  8. Heat transfer coefficient for boiling carbon dioxide

    DEFF Research Database (Denmark)

    Knudsen, Hans Jørgen Høgaard; Jensen, Per Henrik

    1998-01-01

    Heat transfer coefficient and pressure drop for boiling carbon dioxide (R744) flowing in a horizontal pipe has been measured. The calculated heat transfer coeeficient has been compared with the Chart correlation of Shah. The Chart Correlation predits too low heat transfer coefficient but the ratio...

  9. Estimating Runoff Coefficients Using Weather Radars

    DEFF Research Database (Denmark)

    Ahm, Malte; Thorndahl, Søren Liedtke; Rasmussen, Michael R.

    2012-01-01

    This paper presents a method for estimating runoff coefficients of urban drainage catchments based on a combination of high resolution weather radar data and insewer flow measurements. By utilising the spatial variability of the precipitation it is possible to estimate the runoff coefficients...

  10. Regularity of the interband light absorption coefficient

    Indian Academy of Sciences (India)

    In experimental studies the absorption coefficient is a means to study the band gaps at ... to l2( ), where. ⊂ Zd is a finite set. (usually taken to be a lattice cube centred at the origin) and λ±,uλ± are eigenvalues and eigenfunctions of H. ±. ,ω . Then the interband light absorption coefficient A for such finite volume models can.

  11. Helioseismic Solar Cycle Changes and Splitting Coefficients

    Indian Academy of Sciences (India)

    tribpo

    Abstract. Using the GONG data for a period over four years, we have studied the variation of frequencies and splitting coefficients with solar cycle. Frequencies and even-order coefficients are found to change signi- ficantly with rising phase of the solar cycle. We also find temporal varia- tions in the rotation rate near the solar ...

  12. Determination of the surface drag coefficient

    DEFF Research Database (Denmark)

    Mahrt, L.; Vickers, D.; Sun, J.L.

    2001-01-01

    This study examines the dependence of the surface drag coefficient on stability, wind speed, mesoscale modulation of the turbulent flux and method of calculation of the drag coefficient. Data sets over grassland, sparse grass, heather and two forest sites are analyzed. For significantly unstable ...

  13. Implications of NGA for NEHRP site coefficients

    Science.gov (United States)

    Borcherdt, Roger D.

    2012-01-01

    Three proposals are provided to update tables 11.4-1 and 11.4-2 of Minimum Design Loads for Buildings and Other Structures (7-10), by the American Society of Civil Engineers (2010) (ASCE/SEI 7-10), with site coefficients implied directly by NGA (Next Generation Attenuation) ground motion prediction equations (GMPEs). Proposals include a recommendation to use straight-line interpolation to infer site coefficients at intermediate values of ̅vs (average shear velocity). Site coefficients are recommended to ensure consistency with ASCE/SEI 7-10 MCER (Maximum Considered Earthquake) seismic-design maps and simplified site-specific design spectra procedures requiring site classes with associated tabulated site coefficients and a reference site class with unity site coefficients. Recommended site coefficients are confirmed by independent observations of average site amplification coefficients inferred with respect to an average ground condition consistent with that used for the MCER maps. The NGA coefficients recommended for consideration are implied directly by the NGA GMPEs and do not require introduction of additional models.

  14. Gini coefficient as a life table function

    Directory of Open Access Journals (Sweden)

    2003-06-01

    Full Text Available This paper presents a toolkit for measuring and analyzing inter-individual inequality in length of life by Gini coefficient. Gini coefficient and four other inequality measures are defined on the length-of-life distribution. Properties of these measures and their empirical testing on mortality data suggest a possibility for different judgements about the direction of changes in the degree of inequality by using different measures. A new computational procedure for the estimation of Gini coefficient from life tables is developed and tested on about four hundred real life tables. The estimates of Gini coefficient are precise enough even for abridged life tables with the final age group of 85+. New formulae have been developed for the decomposition of differences between Gini coefficients by age and cause of death. A new method for decomposition of age-components into effects of mortality and composition of population by group is developed. Temporal changes in the effects of elimination of causes of death on Gini coefficient are analyzed. Numerous empirical examples show: Lorenz curves for Sweden, Russia and Bangladesh in 1995, proportional changes in Gini coefficient and four other measures of inequality for the USA in 1950-1995 and for Russia in 1959-2000. Further shown are errors of estimates of Gini coefficient when computed from various types of mortality data of France, Japan, Sweden and the USA in 1900-95, decompositions of the USA-UK difference in life expectancies and Gini coefficients by age and cause of death in 1997. As well, effects of elimination of major causes of death in the UK in 1951-96 on Gini coefficient, age-specific effects of mortality and educational composition of the Russian population on changes in life expectancy and Gini coefficient between 1979 and 1989. Illustrated as well are variations in life expectancy and Gini coefficient across 32 countries in 1996-1999 and associated changes in life expectancy and Gini

  15. Experimental approach for measuring cylindrical flexoelectric coefficients

    Science.gov (United States)

    Zhang, Shuwen; Liu, Kaiyuan; Wu, Tonghui; Xu, Minglong; Shen, Shengping

    2017-10-01

    Flexoelectricity is a property of dielectric materials by which applied strain gradients induce electric polarizations within dielectric materials. Experimental research into the tensor components of the flexoelectric coefficient is essential. In this work, an experimental approach for measurement of the flexoelectric coefficient tensor components in cylindrical coordinates is developed. Two different experimental methods are designed to obtain the two related unknown flexoelectric coefficient tensor components. Theoretical and finite element analyses are developed and simplified for each experiment, and the related designs are then tested to obtain the coupled electric polarization charges. The two unknown flexoelectric coefficient tensor components of polyvinylidene fluoride are then decoupled. This work provides an experimental method that can be used to obtain multiple unknown flexoelectric coefficient tensor components in solid dielectric materials.

  16. Development of database on the distribution coefficient. 1. Collection of the distribution coefficient data

    Energy Technology Data Exchange (ETDEWEB)

    Takebe, Shinichi; Abe, Masayoshi [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment

    2001-03-01

    The distribution coefficient is very important parameter for environmental impact assessment on the disposal of radioactive waste arising from research institutes. The literature survey in the country was mainly carried out for the purpose of selecting the reasonable distribution coefficient value on the utilization of this value in the safety evaluation. This report was arranged much informations on the distribution coefficient for inputting to the database for each literature, and was summarized as a literature information data on the distribution coefficient. (author)

  17. Variation in aerodynamic coefficients with altitude

    Directory of Open Access Journals (Sweden)

    Faiza Shahid

    Full Text Available Precise aerodynamics performance prediction plays key role for a flying vehicle to get its mission completed within desired accuracy. Aerodynamic coefficients for same Mach number can be different at different altitude due to difference in Reynolds number. Prediction of these aerodynamics coefficients can be made through experiments, analytical solution or Computational Fluid Dynamics (CFD. Advancements in computational power have generated the concept of using CFD as a virtual Wind Tunnel (WT, hence aerodynamic performance prediction in present study is based upon CFD (numerical test rig. Simulations at different altitudes for a range of Mach numbers with zero angle of attack are performed to predict axial force coefficient behavior with altitude (Reynolds number. Similar simulations for a fixed Mach number ‘3’ and a range of angle of attacks are also carried out to envisage the variation in normal force and pitching moment coefficients with altitude (Reynolds number. Results clearly depict that the axial force coefficient is a function of altitude (Reynolds number and increase as altitude increases, especially for subsonic region. Variation in axial force coefficient with altitude (Reynolds number slightly increases for larger values of angle of attacks. Normal force and pitching moment coefficients do not depend on altitude (Reynolds number at smaller values of angle of attacks but show slight decrease as altitude increases. Present study suggests that variation of normal force and pitching moment coefficients with altitude can be neglected but the variation of axial force coefficient with altitude should be considered for vehicle fly in dense atmosphere. It is recommended to continue this study to more complex configurations for various Mach numbers with side slip and real gas effects. Keywords: Mach number, Reynolds number, Blunt body, Altitude effect, Angle of attacks

  18. Variation in aerodynamic coefficients with altitude

    Science.gov (United States)

    Shahid, Faiza; Hussain, Mukkarum; Baig, Mirza Mehmood; Haq, Ihtram ul

    Precise aerodynamics performance prediction plays key role for a flying vehicle to get its mission completed within desired accuracy. Aerodynamic coefficients for same Mach number can be different at different altitude due to difference in Reynolds number. Prediction of these aerodynamics coefficients can be made through experiments, analytical solution or Computational Fluid Dynamics (CFD). Advancements in computational power have generated the concept of using CFD as a virtual Wind Tunnel (WT), hence aerodynamic performance prediction in present study is based upon CFD (numerical test rig). Simulations at different altitudes for a range of Mach numbers with zero angle of attack are performed to predict axial force coefficient behavior with altitude (Reynolds number). Similar simulations for a fixed Mach number '3' and a range of angle of attacks are also carried out to envisage the variation in normal force and pitching moment coefficients with altitude (Reynolds number). Results clearly depict that the axial force coefficient is a function of altitude (Reynolds number) and increase as altitude increases, especially for subsonic region. Variation in axial force coefficient with altitude (Reynolds number) slightly increases for larger values of angle of attacks. Normal force and pitching moment coefficients do not depend on altitude (Reynolds number) at smaller values of angle of attacks but show slight decrease as altitude increases. Present study suggests that variation of normal force and pitching moment coefficients with altitude can be neglected but the variation of axial force coefficient with altitude should be considered for vehicle fly in dense atmosphere. It is recommended to continue this study to more complex configurations for various Mach numbers with side slip and real gas effects.

  19. Soccer ball lift coefficients via trajectory analysis

    Energy Technology Data Exchange (ETDEWEB)

    Goff, John Eric [Department of Physics, Lynchburg College, Lynchburg, VA 24501 (United States); Carre, Matt J, E-mail: goff@lynchburg.ed [Department of Mechanical Engineering, University of Sheffield, Sheffield S1 3JD (United Kingdom)

    2010-07-15

    We performed experiments in which a soccer ball was launched from a machine while two high-speed cameras recorded portions of the trajectory. Using the trajectory data and published drag coefficients, we extracted lift coefficients for a soccer ball. We determined lift coefficients for a wide range of spin parameters, including several spin parameters that have not been obtained by today's wind tunnels. Our trajectory analysis technique is not only a valuable tool for professional sports scientists, it is also accessible to students with a background in undergraduate-level classical mechanics.

  20. Transport Coefficients from Large Deviation Functions

    Directory of Open Access Journals (Sweden)

    Chloe Ya Gao

    2017-10-01

    Full Text Available We describe a method for computing transport coefficients from the direct evaluation of large deviation functions. This method is general, relying on only equilibrium fluctuations, and is statistically efficient, employing trajectory based importance sampling. Equilibrium fluctuations of molecular currents are characterized by their large deviation functions, which are scaled cumulant generating functions analogous to the free energies. A diffusion Monte Carlo algorithm is used to evaluate the large deviation functions, from which arbitrary transport coefficients are derivable. We find significant statistical improvement over traditional Green–Kubo based calculations. The systematic and statistical errors of this method are analyzed in the context of specific transport coefficient calculations, including the shear viscosity, interfacial friction coefficient, and thermal conductivity.

  1. Friction coefficient dependence on electrostatic tribocharging.

    Science.gov (United States)

    Burgo, Thiago A L; Silva, Cristiane A; Balestrin, Lia B S; Galembeck, Fernando

    2013-01-01

    Friction between dielectric surfaces produces patterns of fixed, stable electric charges that in turn contribute electrostatic components to surface interactions between the contacting solids. The literature presents a wealth of information on the electronic contributions to friction in metals and semiconductors but the effect of triboelectricity on friction coefficients of dielectrics is as yet poorly defined and understood. In this work, friction coefficients were measured on tribocharged polytetrafluoroethylene (PTFE), using three different techniques. As a result, friction coefficients at the macro- and nanoscales increase many-fold when PTFE surfaces are tribocharged, but this effect is eliminated by silanization of glass spheres rolling on PTFE. In conclusion, tribocharging may supersede all other contributions to macro- and nanoscale friction coefficients in PTFE and probably in other insulating polymers.

  2. Roughness coefficients for stream channels in Arizona

    Science.gov (United States)

    Aldridge, B.N.; Garrett, J.M.

    1973-01-01

    When water flows in an open channel, energy is lost through friction along the banks and bed of the channel and through turbulence within the channel. The amount of energy lost is governed by channel roughness, which is expressed in terms of a roughness coefficient. An evaluation of the roughness coefficient is necessary in many hydraulic computations that involve flow in an open channel. Owing to the lack of satisfactory quantitative procedure, the ability of evaluate roughness coefficients can be developed only through experience; however, a basic knowledge of the methods used to assign the coefficients and the factors affecting them will be a great help. One of the most commonly used equations in open-channel hydraulics is that of Manning. The Manning equation is       1.486

  3. Explicit formulas for Clebsch-Gordan coefficients

    International Nuclear Information System (INIS)

    Rudnicki-Bujnowski, G.

    1975-01-01

    The problem is to obtain explicit algebraic formulas of Clebsch-Gordan coefficients for high values of angular momentum. The method of solution is an algebraic method based on the Racah formula using the FORMAC programming language. (Auth.)

  4. Second coefficient of viscosity in air

    Science.gov (United States)

    Ash, Robert L.; Zuckerwar, Allan J.; Zheng, Zhonquan

    1991-01-01

    Acoustic attenuation measurements in air were analyzed in order to estimate the second coefficient of viscosity. Data over a temperature range of 11 C to 50 C and at relative humidities between 6 percent and 91 percent were used. This analysis showed that the second coefficient of viscosity varied between 1900 and 20,000 times larger than the dynamic or first coefficient of viscosity over the temperature and humidity range of the data. In addition, the data showed that the molecular relaxation effects, which are responsible for the magnitude of the second coefficient of viscosity, place severe limits on the use of time-independent, thermodynamic equations of state. Compressible flows containing large streamwise velocity gradients, like shock waves, which cause significant changes in particle properties to occur during time intervals shorter than hundredths of seconds, must be modeled using dynamic equations of state. The dynamic model approach is described briefly.

  5. Heat transfer coefficient of cryotop during freezing.

    Science.gov (United States)

    Li, W J; Zhou, X L; Wang, H S; Liu, B L; Dai, J J

    2013-01-01

    Cryotop is an efficient vitrification method for cryopreservation of oocytes. It has been widely used owing to its simple operation and high freezing rate. Recently, the heat transfer performance of cryotop was studied by numerical simulation in several studies. However, the range of heat transfer coefficient in the simulation is uncertain. In this study, the heat transfer coefficient for cryotop during freezing process was analyzed. The cooling rates of 40 percent ethylene glycol (EG) droplet in cryotop during freezing were measured by ultra-fast measurement system and calculated by numerical simulation at different value of heat transfer coefficient. Compared with the results obtained by two methods, the range of the heat transfer coefficient necessary for the numerical simulation of cryotop was determined, which is between 9000 W/(m(2)·K) and 10000 W/(m (2)·K).

  6. Form coefficient of helical toroidal solenoids

    International Nuclear Information System (INIS)

    Amelin, V.Z.; Kunchenko, V.B.

    1982-01-01

    For toroidal solenoids with continuous spiral coil, winded according to the laws of equiinclined and simple cylindrical spirals with homogeneous, linearly increasing to the coil periphery and ''Bitter'' distribution of current density, the analytical expressions for the dependence between capacity consumed and generated magnetic field, expressions for coefficients of form similar to Fabry coefficient for cylindrical solenoids are obtained and dependence of the form coefficient and relative volume of solenoid conductor on the number of revolutions of screw line per one circumvention over the large torus radius is also investigated. Analytical expressions of form coefficients and graphical material permit to select the optimum geometry as to capacity consumed both for spiral (including ''force-free'') and conventional toroidal solenoids of magnetic systems in thermonulear installations

  7. Modeling Ballasted Tracks for Runoff Coefficient C

    Science.gov (United States)

    2012-08-01

    In this study, the Regional Transportation District (RTD)s light rail tracks were modeled to determine the Rational Method : runoff coefficient, C, values corresponding to ballasted tracks. To accomplish this, a laboratory study utilizing a : rain...

  8. Estimation of Okun Coefficient for Algeria

    OpenAIRE

    KORI YAHIA, Abdellah

    2018-01-01

    The objective of this paper is to investigate the presence of Okun’s (1962) relationship for Algeria for the 1970- 2015 period. Two methodologies are employed to estimate the Okun coefficient: An Autoregressive Distributed Lag (ARDL) linear model and a Bayesian Normal Linear Regression model. The results indicate an Okun coefficient of about -0.2 which suggests some rigidity of the labour market in Algeria.

  9. Measuring Resource Inequality: The Gini Coefficient

    Directory of Open Access Journals (Sweden)

    Michael T. Catalano

    2009-07-01

    Full Text Available This paper stems from work done by the authors at the Mathematics for Social Justice Workshop held in June of 2007 at Middlebury College. We provide a description of the Gini coefficient and some discussion of how it can be used to promote quantitative literacy skills in mathematics courses. The Gini Coefficient was introduced in 1921 by Italian statistician Corrado Gini as a measure of inequality. It is defined as twice the area between two curves. One, the Lorenz curve for a given population with respect to a given resource, represents the cumulative percentage of the resource as a function of the cumulative percentage of the population that shares that percentage of the resource. The second curve is the line y = x which is the Lorenz curve for a population which shares the resource equally. The Gini coefficient can be interpreted as the percentage of inequality represented in the population with respect to the given resource. We propose that the Gini coefficient can be used to enhance students’ understanding of calculus concepts and provide practice for students in using both calculus and quantitative literacy skills. Our examples are based mainly on distribution of energy resources using publicly available data from the Energy Information Agency of the United States Government. For energy resources within the United States, we find that by household, the Gini coefficient is 0.346, while using the 51 data points represented by the states and Washington D.C., the Gini coefficient is 0.158. When we consider the countries of the world as a population of 210, the Gini coefficient is 0.670. We close with ideas for questions which can be posed to students and discussion of the experiences two other mathematics instructors have had incorporating the Gini coefficient into pre-calculus-level mathematics classes.

  10. Monitoring device for local power peaking coefficient

    International Nuclear Information System (INIS)

    Mitsuhashi, Ishi

    1987-01-01

    Purpose: To monitor the local power peaking coefficients obtained by the method not depending on the combination of fuel types. Method: A plurality of representative values for the local power distribution determined by the nuclear constant calculation for one fuel assembly are memorized regarding each of the burn-up degree and the void coefficient on every positions and fuel types in fuel rod assemblies. While on the other hand, the representative values for the local power distribution as described above are compensated by a compensation coefficient considering the effect of adjacent segments and a control rod compensation coefficient considering the effect due to the control rod insertion relative to the just-mentioned compensation coefficient. Then, the maximum value among them is selected to determine the local power peaking coefficient at each of the times and each of the segments, which is monitored. According to this system, the calculation and the working required for the fitting work depending on the combination of fuel types are no more required at all to facilitate the maintenance as well. (Horiuchi, T.)

  11. Accurate determination of the Ca2+ activity in milk-based systems by Ca-ISE: Effects of ionic composition on the single Ca2+ activitiy coefficient and liquid junction potentials

    NARCIS (Netherlands)

    Gao, R.; Leeuwen, van H.P.; Valenberg, van H.J.F.; Boekel, van M.A.J.S.

    2011-01-01

    Calcium ion selective electrode (Ca-ISE) was found to underestimate the actual Ca2+ ion activity in simulated milk ultrafiltrate (SMUF) and milk. It is shown that the ionic compositional difference between conventional calibration solutions and milk type samples had a significant effect on the

  12. Lattice cell diffusion coefficients. Definitions and comparisons

    International Nuclear Information System (INIS)

    Hughes, R.P.

    1980-01-01

    Definitions of equivalent diffusion coefficients for regular lattices of heterogeneous cells have been given by several authors. The paper begins by reviewing these different definitions and the unification of their derivation. This unification makes clear how accurately each definition (together with appropriate cross-section definitions to preserve the eigenvalue) represents the individual reaction rates within the cell. The approach can be extended to include asymmetric cells and whereas before, the buckling describing the macroscopic flux shape was real, here it is found to be complex. A neutron ''drift'' coefficient as well as a diffusion coefficient is necessary to produce the macroscopic flux shape. The numerical calculation of the various different diffusion coefficients requires the solutions of equations similar to the ordinary transport equation for an infinite lattice. Traditional reactor physics codes are not sufficiently flexible to solve these equations in general. However, calculations in certain simple cases are presented and the theoretical results quantified. In difficult geometries, Monte Carlo techniques can be used to calculate an effective diffusion coefficient. These methods relate to those already described provided that correlation effects between different generations of neutrons are included. Again, these effects are quantified in certain simple cases. (author)

  13. Experimental methodology for obtaining sound absorption coefficients

    Directory of Open Access Journals (Sweden)

    Carlos A. Macía M

    2011-07-01

    Full Text Available Objective: the authors propose a new methodology for estimating sound absorption coefficients using genetic algorithms. Methodology: sound waves are generated and conducted along a rectangular silencer. The waves are then attenuated by the absorbing material covering the silencer’s walls. The attenuated sound pressure level is used in a genetic algorithm-based search to find the parameters of the proposed attenuation expressions that include geometric factors, the wavelength and the absorption coefficient. Results: a variety of adjusted mathematical models were found that make it possible to estimate the absorption coefficients based on the characteristics of a rectangular silencer used for measuring the attenuation of the noise that passes through it. Conclusions: this methodology makes it possible to obtain the absorption coefficients of new materials in a cheap and simple manner. Although these coefficients might be slightly different from those obtained through other methodologies, they provide solutions within the engineering accuracy ranges that are used for designing noise control systems.

  14. Radon emanation coefficients in sandy soils

    International Nuclear Information System (INIS)

    Holy, K.; Polaskova, A.; Baranova, A.; Sykora, I.; Hola, O.

    1998-01-01

    In this contribution the results of the study of an influence of the water content on the emanation coefficient for two sandy soil samples are reported. These samples were chosen on the because of the long-term continual monitoring of the 222 Rn concentration just in such types of soils and this radon concentration showed the significant variations during a year. These variations are chiefly given in connection with the soil moisture. Therefore, the determination of the dependence of the emanation coefficient of radon on the water content can help to evaluate the influence of the soil moisture variations of radon concentrations in the soil air. The presented results show that the emanation coefficient reaches the constant value in the wide interval of the water content for both sandy soil samples. Therefore, in the common range of the soil moisture (5 - 20 %) it is impossible to expect the variations of the radon concentration in the soil air due to the change of the emanation coefficient. The expressive changes of the radon concentration in the soil air can be observed in case of the significant decrease of the emanation coefficient during the soil drying when the water content decreases under 5 % or during the complete filling of the soil pores by the water. (authors)

  15. Modeling of adipose/blood partition coefficient for environmental chemicals.

    Science.gov (United States)

    Papadaki, K C; Karakitsios, S P; Sarigiannis, D A

    2017-12-01

    A Quantitative Structure Activity Relationship (QSAR) model was developed in order to predict the adipose/blood partition coefficient of environmental chemical compounds. The first step of QSAR modeling was the collection of inputs. Input data included the experimental values of adipose/blood partition coefficient and two sets of molecular descriptors for 67 organic chemical compounds; a) the descriptors from Linear Free Energy Relationship (LFER) and b) the PaDEL descriptors. The datasets were split to training and prediction set and were analysed using two statistical methods; Genetic Algorithm based Multiple Linear Regression (GA-MLR) and Artificial Neural Networks (ANN). The models with LFER and PaDEL descriptors, coupled with ANN, produced satisfying performance results. The fitting performance (R 2 ) of the models, using LFER and PaDEL descriptors, was 0.94 and 0.96, respectively. The Applicability Domain (AD) of the models was assessed and then the models were applied to a large number of chemical compounds with unknown values of adipose/blood partition coefficient. In conclusion, the proposed models were checked for fitting, validity and applicability. It was demonstrated that they are stable, reliable and capable to predict the values of adipose/blood partition coefficient of "data poor" chemical compounds that fall within the applicability domain. Copyright © 2017. Published by Elsevier Ltd.

  16. Statistical analyses of local transport coefficients in Ohmic ASDEX discharges

    International Nuclear Information System (INIS)

    Simmet, E.; Stroth, U.; Wagner, F.; Fahrbach, H.U.; Herrmann, W.; Kardaun, O.J.W.F.; Mayer, H.M.

    1991-01-01

    Tokamak energy transport is still an unsolved problem. Many theoretical models have been developed, which try to explain the anomalous high energy-transport coefficients. Up to now these models have been applied to global plasma parameters. A comparison of transport coefficients with global confinement time is only conclusive if the transport is dominated by one process across the plasma diameter. This, however, is not the case in most Ohmic confinement regimes, where at least three different transport mechanisms play an important role. Sawtooth activity leads to an increase in energy transport in the plasma centre. In the intermediate region turbulent transport is expected. Candidates here are drift waves and resistive fluid turbulences. At the edge, ballooning modes or rippling modes could dominate the transport. For the intermediate region, one can deduce theoretical scaling laws for τ E from turbulent theories. Predicted scalings reproduce the experimentally found density dependence of τ E in the linear Ohmic confinement regime (LOC) and the saturated regime (SOC), but they do not show the correct dependence on the isotope mass. The relevance of these transport theories can only be tested in comparing them to experimental local transport coefficients. To this purpose we have performed transport calculations on more than a hundred Ohmic ASDEX discharges. By Principal Component Analysis we determine the dimensionless components which dominate the transport coefficients and we compare the results to the predictions of various theories. (author) 6 refs., 2 figs., 1 tab

  17. Computation of Clebsch-Gordan and Gaunt coefficients using binomial coefficients

    International Nuclear Information System (INIS)

    Guseinov, I.I.; Oezmen, A.; Atav, Ue

    1995-01-01

    Using binomial coefficients the Clebsch-Gordan and Gaunt coefficients were calculated for extremely large quantum numbers. The main advantage of this approach is directly calculating these coefficients, instead of using recursion relations. Accuracy of the results is quite high for quantum numbers l 1 , and l 2 up to 100. Despite direct calculation, the CPU times are found comparable with those given in the related literature. 11 refs., 1 fig., 2 tabs

  18. Curvature of Indoor Sensor Network: Clustering Coefficient

    Directory of Open Access Journals (Sweden)

    2009-03-01

    Full Text Available We investigate the geometric properties of the communication graph in realistic low-power wireless networks. In particular, we explore the concept of the curvature of a wireless network via the clustering coefficient. Clustering coefficient analysis is a computationally simplified, semilocal approach, which nevertheless captures such a large-scale feature as congestion in the underlying network. The clustering coefficient concept is applied to three cases of indoor sensor networks, under varying thresholds on the link packet reception rate (PRR. A transition from positive curvature (“meshed” network to negative curvature (“core concentric” network is observed by increasing the threshold. Even though this paper deals with network curvature per se, we nevertheless expand on the underlying congestion motivation, propose several new concepts (network inertia and centroid, and finally we argue that greedy routing on a virtual positively curved network achieves load balancing on the physical network.

  19. Nozzle geometry variations on the discharge coefficient

    Directory of Open Access Journals (Sweden)

    M.M.A. Alam

    2016-03-01

    Full Text Available Numerical works have been conducted to investigate the effect of nozzle geometries on the discharge coefficient. Several contoured converging nozzles with finite radius of curvatures, conically converging nozzles and conical divergent orifices have been employed in this investigation. Each nozzle and orifice has a nominal exit diameter of 12.7×10−3 m. A 3rd order MUSCL finite volume method of ANSYS Fluent 13.0 was used to solve the Reynolds-averaged Navier–Stokes equations in simulating turbulent flows through various nozzle inlet geometries. The numerical model was validated through comparison between the numerical results and experimental data. The results obtained show that the nozzle geometry has pronounced effect on the sonic lines and discharge coefficients. The coefficient of discharge was found differ from unity due to the non-uniformity of flow parameters at the nozzle exit and the presence of boundary layer as well.

  20. Control in the coefficients with variational crimes

    DEFF Research Database (Denmark)

    Evgrafov, Anton; Marhadi, Kun Saptohartyadi

    2012-01-01

    We study convergence of discontinuous Galerkin-type discretizations of the problems of control in the coefficients of uniformly elliptic partial differential equations (PDEs). As a model problem we use that of the optimal design of thin (Kirchhoff) plates, where the governing equations are of the......We study convergence of discontinuous Galerkin-type discretizations of the problems of control in the coefficients of uniformly elliptic partial differential equations (PDEs). As a model problem we use that of the optimal design of thin (Kirchhoff) plates, where the governing equations...... to “volumetric” Lebesgue norm, changes of the coefficients is generally speaking not continuous. We utilize the lifting formulation of the discontinuous Galerkin method to deal with this issue.Our main result is that limit points of sequences of designs verifying discrete versions of stationarity can also...

  1. Optical distortion coefficients of laser windows

    International Nuclear Information System (INIS)

    Klein, C.A.

    1989-01-01

    This paper addresses the problem of describing and evaluating thermal lensing phenomena that occur as a result of the absorption of laser light in solid windows. The aberration-function expansion method is applied for deriving the two optical distortion coefficients χ + and χ - that characterize the degradation in light intensity at the Gaussian focus of an initially diffraction-limited laser beam passing through a weakly absorbing stress-birefringent window. In a pulsed mode of operation, the concept of an effective optical distortion coefficient. χ eff, which properly combines the coefficients χ + and χ - in terms of potential impact on focal irradiances, then leads to the definition of a figure of merit for distortion. The theory and the calculations presented in this papers provide simple analytical tools for predicting the optical performance of a window-material candidate in a specific system's environment

  2. Criterions for fixing regulatory seismic acceleration coefficients

    International Nuclear Information System (INIS)

    Costes, D.

    1988-03-01

    Acceleration coeffficients to be taken into account in seismic areas for calculation of structures are defined in national seismic regulations. Joined to the described qualitative requirements, these coefficients represent a balance between precaution costs and avoided damages, both in terms of material repairing costs and damage to human life. Persons in charge of fixing these coefficients must be informed of corresponding quantitative aspects. Data on seismic motions occurrencies and consequences are gathered here and convoluted to mean damage evaluations. Indications on precaution costs are joined, which shows that currently recommended levels of seismic motions are high relatively to financial profitability, and represent in fact an aethical choice about human life value [fr

  3. Dependence of sputtering coefficient on ion dose

    International Nuclear Information System (INIS)

    Colligon, J.S.; Patel, M.H.

    1977-01-01

    The sputtering coefficient of polycrystalline gold bombarded by 10-40 keV Ar + ions had been measured as a function of total ion dose and shown to exhibit oscillations in magnitude between 30 and 100%. Possible experimental errors which would give rise to such an oscillation have been considered, but it is apparent that these factors are unable to explain the measurements. It is proposed that a change in the Sublimation Energy associated with either bulk damage or formation of surface topographical features arising during ion bombardment may be responsible for the observed variations in sputtering coefficient. (author)

  4. Absorption coefficient instrument for turbid natural waters

    Science.gov (United States)

    Friedman, E.; Cherdak, A.; Poole, L.; Houghton, W.

    1980-01-01

    The paper presents an instrument that directly measures multispectral absorption coefficient of turbid natural water. Attention is given to the design, which is shown to incorporate methods for the compensation of variation in the internal light source intensity, correction of the spectrally dependent nature of the optical elements, and correction for variation in the background light level. In addition, when used in conjunction with a spectrally matched total attenuation instrument, the spectrally dependent scattering coefficient can also be derived. Finally, it is reported that systematic errors associated with multiple scattering have been estimated using Monte Carlo techniques.

  5. A drying coefficient for building materials

    DEFF Research Database (Denmark)

    Scheffler, Gregor Albrecht; Plagge, Rudolf

    2009-01-01

    , in many cases such a coefficient would be highly appreciated, e.g. in interaction of industry and research or for the distinction and selection of suitable building materials throughout design and practise. This article first highlights the importance of drying experiments for hygrothermal...... and defined as a new and independent material parameter. It contains information about the moisture transport properties throughout the wide range of moisture contents from hygroscopic up to saturation. With this new and valuable coefficient, it is now possible to distinguish and select building materials...

  6. Shear viscosity coefficient of liquid lanthanides

    Energy Technology Data Exchange (ETDEWEB)

    Patel, H. P., E-mail: patel.harshal2@gmail.com; Thakor, P. B., E-mail: pbthakore@rediffmail.com; Prajapati, A. V., E-mail: anand0prajapati@gmail.com [Department of Physics, Veer Narmad South Gujarat University, Surat 395 007, Gujarat (India); Sonvane, Y. A., E-mail: yas@ashd.svnit.ac.in [Department of Applied Physics, S. V. National Institute of Technology, Surat 395 007, Gujarat (India)

    2015-05-15

    Present paper deals with the computation of shear viscosity coefficient (η) of liquid lanthanides. The effective pair potential v(r) is calculated through our newly constructed model potential. The Pair distribution function g(r) is calculated from PYHS reference system. To see the influence of local field correction function, Hartree (H), Tailor (T) and Sarkar et al (S) local field correction function are used. Present results are compared with available experimental as well as theoretical data. Lastly, we found that our newly constructed model potential successfully explains the shear viscosity coefficient (η) of liquid lanthanides.

  7. Reaction rate calculations via transmission coefficients

    International Nuclear Information System (INIS)

    Feit, M.D.; Alder, B.J.

    1985-01-01

    The transmission coefficient of a wavepacket traversing a potential barrier can be determined by steady state calculations carried out in imaginary time instead of by real time dynamical calculations. The general argument is verified for the Eckart barrier potential by a comparison of transmission coefficients calculated from real and imaginary time solutions of the Schroedinger equation. The correspondence demonstrated here allows a formulation for the reaction rate that avoids difficulties due to both rare events and explicitly time dependent calculations. 5 refs., 2 figs

  8. Extinction coefficient of polymerized diaminobenzidine complexed with cobalt as final reaction product of histochemical oxidase reactions

    NARCIS (Netherlands)

    Frederiks, W. M.; Bosch, K. S.; van den Munckhof, R. J.

    1995-01-01

    The extinction coefficient is essential for the conversion of cytophotometric (mean integrated) absorbance values into absolute units of enzyme activity, for instance expressed in terms of moles of substrate converted per unit time and per unit wet weight of tissue. The extinction coefficient of

  9. Vertical diffuse attenuation coefficient (Kd) based optical ...

    Indian Academy of Sciences (India)

    R. Narasimhan (Krishtel eMaging) 1461 1996 Oct 15 13:05:22

    The optical classification of the different water types provides vital input for studies related to primary productivity, water clarity and determination of euphotic depth. Image data of the IRS-. P3 MOS-B, for Path 90 of 27th February, 1998 was used for deriving vertical diffuse attenuation coefficient (Kd) and an optical ...

  10. Coefficient Omega Bootstrap Confidence Intervals: Nonnormal Distributions

    Science.gov (United States)

    Padilla, Miguel A.; Divers, Jasmin

    2013-01-01

    The performance of the normal theory bootstrap (NTB), the percentile bootstrap (PB), and the bias-corrected and accelerated (BCa) bootstrap confidence intervals (CIs) for coefficient omega was assessed through a Monte Carlo simulation under conditions not previously investigated. Of particular interests were nonnormal Likert-type and binary items.…

  11. Tracking Time-Varying Coefficient-Functions

    DEFF Research Database (Denmark)

    Nielsen, Henrik Aalborg; Nielsen, Torben Skov; Joensen, Alfred K.

    1999-01-01

    A conditional parametric ARX-model is an ARX-model in which the parameters re replaced by smooth functions of an, possibly multivariate, externalinput signal. These functions are called coefficient functions is suggested. Essentially, in its most simple form, this method is a combination of recur...

  12. Ideal related K-theory with coefficients

    DEFF Research Database (Denmark)

    Eilers, Soren; Restorff, Gunnar; Ruiz, Efren

    2017-01-01

    In this paper, we define an invariant, which we believe should be the substitute for total K-theory in the case when there is one distinguished ideal. Moreover, some diagrams relating the new groups to the ordinary K-groups with coefficients are constructed. These diagrams will in most cases help...

  13. Regularity of the Interband Light Absorption Coefficient

    Indian Academy of Sciences (India)

    In this paper we consider the interband light absorption coefficient (ILAC), in a symmetric form, in the case of random operators on the -dimensional lattice. We show that the symmetrized version of ILAC is either continuous or has a component which has the same modulus of continuity as the density of states.

  14. Prediction of longitudinal dispersion coefficient using multivariate ...

    Indian Academy of Sciences (India)

    Keywords. River water quality; artificial neural network; longitudinal dispersion coefficient; pollution transmission ... Error indices showed that MARS model has suitable performanceand is more accurate compared to multi-layer neural network model and empirical formulas. Results ofthe Gamma test and MARS model ...

  15. Friction Coefficient Determination by Electrical Resistance Measurements

    Science.gov (United States)

    Tunyagi, A.; Kandrai, K.; Fülöp, Z.; Kapusi, Z.; Simon, A.

    2018-01-01

    A simple and low-cost, DIY-type, Arduino-driven experiment is presented for the study of friction and measurement of the friction coefficient, using a conductive rubber cord as a force sensor. It is proposed for high-school or college/university-level students. We strongly believe that it is worthwhile planning, designing and performing Arduino…

  16. Molar extinction coefficients of some fatty acids

    DEFF Research Database (Denmark)

    Sandhu, G.K.; Singh, K.; Lark, B.S.

    2002-01-01

    ) and stearic acid (C18H36O2), has been measured at the photon energies 81, 356, 511, 662, 1173 and 1332 keV. Experimental values for the molar extinction coefficient, the effective atomic number and the electron density have been derived and compared with theoretical calculations. There is good agreement...

  17. Effective stress coefficient for uniaxial strain condition

    DEFF Research Database (Denmark)

    Alam, M.M.; Fabricius, I.L.

    2012-01-01

    one dimensional rock mechanical deformation. We further investigated the effect of boundary condition on the stress dependency of effective stress coefficient and discussed its application in reservoir study. As stress field in the reservoirs are most unlikely to be hydrostatic, effective stress...... determined under uniaxial strain condition will be more relevant in reservoir studies. Copyright 2012 ARMA, American Rock Mechanics Association....

  18. Modelling of power-reactivity coefficient measurement

    International Nuclear Information System (INIS)

    Strmensky, C.; Petenyi, V.; Jagrik, J.; Minarcin, M.; Hascik, R.; Toth, L.

    2005-01-01

    Report describes results of modeling of power-reactivity coefficient analysis on power-level. In paper we calculate values of discrepancies arisen during transient process. These discrepancies can be arisen as result of experiment evaluation and can be caused by disregard of 3D effects on neutron distribution. The results are critically discussed (Authors)

  19. Pressure-viscosity coefficient of biobased lubricants

    Science.gov (United States)

    Film thickness is an important tribological property that is dependent on the combined effect of lubricant properties, material property of friction surfaces, and the operating conditions of the tribological process. Pressure-viscosity coefficient (PVC) is one of the lubricant properties that influe...

  20. Bayesian Meta-Analysis of Coefficient Alpha

    Science.gov (United States)

    Brannick, Michael T.; Zhang, Nanhua

    2013-01-01

    The current paper describes and illustrates a Bayesian approach to the meta-analysis of coefficient alpha. Alpha is the most commonly used estimate of the reliability or consistency (freedom from measurement error) for educational and psychological measures. The conventional approach to meta-analysis uses inverse variance weights to combine…

  1. Infinite matrices, wavelet coefficients and frames

    Directory of Open Access Journals (Sweden)

    N. A. Sheikh

    2004-01-01

    Full Text Available We study the action of A on f∈L2(ℝ and on its wavelet coefficients, where A=(almjklmjk is a double infinite matrix. We find the frame condition for A-transform of f∈L2(ℝ whose wavelet series expansion is known.

  2. Cohomology with coefficients for operadic coalgebras

    Indian Academy of Sciences (India)

    Corepresentations of a coalgebra over a quadratic operad are defined, and various characterizations of them are given. Cohomology of such an operadic coalgebra with coefficients in a corepresentation is then studied. Author Affiliations. Anita Majumdar1 Donald Yau2. Department of Mathematics, Indian Institute of ...

  3. Problems on Divisibility of Binomial Coefficients

    Science.gov (United States)

    Osler, Thomas J.; Smoak, James

    2004-01-01

    Twelve unusual problems involving divisibility of the binomial coefficients are represented in this article. The problems are listed in "The Problems" section. All twelve problems have short solutions which are listed in "The Solutions" section. These problems could be assigned to students in any course in which the binomial theorem and Pascal's…

  4. Power coefficient anomaly in Joyo, (2)

    International Nuclear Information System (INIS)

    Ishikawa, Makoto; Yamashita, Yoshioki; Sasaki, Makoto; Nara, Yoshihiko.

    1981-12-01

    In this report, the presumption about the mechanism having caused the power coefficient anomaly in Joyo during the 75 MW power-raising test in 1979 is described. After the previous report, the new information about the results of the post-irradiation examination and the analysis of the power coefficient of Joyo were able to be obtained. From these information, the mechanism of causing the anomaly was presumed as follows. In 50 MW operation, the fuel burnup reached about 10,000 MWD/ton at the end of second cycle, and produced fission gas was almost retained in fuel pellets. When the power was raised from 50 MW to 75 MW for the first time, the fission gas began to be released when 50 MW was somewhat exceeded. The fission gas release caused the temperature rise and cracking of fuel pellets, and elongated fuel stack length abruptly. These phenomena induced to enlarge the fuel expansion reactivity effect and Doppler reactivity effect, and caused the anomalous behavior of power coefficient. After reaching 75 MW, the fuel stack length did not respond normally to reactor power change, and the magnitude of power coefficient became smaller. The reactivity was lost considerably from the core after the anomaly. (Kako, I.)

  5. A Graphical Interpretation of Probit Coefficients.

    Science.gov (United States)

    Becker, William E.; Waldman, Donald M.

    1989-01-01

    Contends that, when discrete choice models are taught, particularly the probit model, it is the method rather than the interpretation of the results that is emphasized. This article provides a graphical technique for interpretation of an estimated probit coefficient that will be useful in statistics and econometrics courses. (GG)

  6. Vertical diffuse attenuation coefficient (Kd) based optical ...

    Indian Academy of Sciences (India)

    R. Narasimhan (Krishtel eMaging) 1461 1996 Oct 15 13:05:22

    mary production and diffuse attenuation coeffi- cient (Austin 1981; Sathyendranath et al 2000). The Indian IRS-P3 ... oceanic and coastal production of phytoplank- ton (Tyler 1975; Pennock and Sharp 1986). As a result basic ... cient to the plant pigment content. The term dif- fuse attenuation coefficient, most commonly used.

  7. Recursive harmonic analysis for computing Hansen coefficients

    Science.gov (United States)

    Adel Sharaf, Mohamed; Hassan Selim, Hadia

    2010-12-01

    We report on a simple pure numerical method developed for computing Hansen coefficients by using a recursive harmonic analysis technique. The precision criteria of the computations are very satisfactory and provide materials for computing Hansen's and Hansen's like expansions, and also to check the accuracy of some existing algorithms.

  8. An alternative coefficient for sound absorption

    NARCIS (Netherlands)

    Wijnant, Ysbrand H.; Kuipers, E.R.; de Boer, Andries; Sas, P; Jonckheere, S.; Moens, D.

    2013-01-01

    The acoustic absorption coefficient is a number that indicates which fraction of the incident acoustic power impinging on a surface is being absorbed. The incident acoustic power is obtained by spatial integration of the incident intensity, which is (classically) defined as the time-averaged

  9. Skidding Coefficients on an Alluvial Soil

    Science.gov (United States)

    W. N. Darwin

    1965-01-01

    The Southern Hardwoods Laboratory is studying the influence of ground conditions and load characteristics on the performance of skidding vehicles in southern bottom lands. The exploratory test was aimed at evaluating the effects of bark on skidding coefficients, but it also yielded information on other log characteristics and on effects of soil moisture.

  10. Effective stress coefficient for uniaxial strain condition

    DEFF Research Database (Denmark)

    Alam, Mohammad Monzurul; Fabricius, Ida Lykke

    2012-01-01

    The effective stress coefficient, introduced by Biot, is used for predicting effective stress or pore pressure in the subsurface. It is not a constant value. It is different for different types of sediment and it is stress dependent. We used a model, based on contact between the grains to describe...

  11. Determination of the convective heat transfer coefficient

    NARCIS (Netherlands)

    Spierings, D.; Bosman, F.; Peters, T.; Plasschaert, F.

    The value of the convective heat transfer coefficient (htc) is determined under different loading conditions by using a computer aided method. The thermal load has been applied mathematically as well as experimentally to the coronal surface of an axisymmetric tooth model. To verify the assumptions

  12. Measurement of the distribution coefficient between soil and Cesium-137

    International Nuclear Information System (INIS)

    Tejada V, S.; Hernandez P, M.

    1996-01-01

    The measurement of the distribution coefficient of Cs-137 is currently performed by batch method between radioisotope solution and which was collected from the Mexican Disposal Site, near the town of Maquixco, in the state of Mexico. The Kd values were obtained in activity concentration of Cs-137 of 100 Bq. The solution is shaken for seven days at 25 o C when the maximum amount of radionuclide is absorbed by the soil. The radionuclide in solution is measured by gamma spectrometry. The results obtained from batch method show that the distribution coefficients were from 144 to 660 ml/g for fine soil particles. This work is currently done as part of the site characterization studies for the disposal of low level rad-waste. (authors). 10 refs., 2 tabs

  13. Determination of Complex-Valued Parametric Model Coefficients Using Artificial Neural Network Technique

    Directory of Open Access Journals (Sweden)

    A. M. Aibinu

    2010-01-01

    Full Text Available A new approach for determining the coefficients of a complex-valued autoregressive (CAR and complex-valued autoregressive moving average (CARMA model coefficients using complex-valued neural network (CVNN technique is discussed in this paper. The CAR and complex-valued moving average (CMA coefficients which constitute a CARMA model are computed simultaneously from the adaptive weights and coefficients of the linear activation functions in a two-layered CVNN. The performance of the proposed technique has been evaluated using simulated complex-valued data (CVD with three different types of activation functions. The results show that the proposed method can accurately determine the model coefficients provided that the network is properly trained. Furthermore, application of the developed CVNN-based technique for MRI K-space reconstruction results in images with improve resolution.

  14. Weyl q-coefficients for uq(3) and Racah q -coefficients for suq(2)

    International Nuclear Information System (INIS)

    Asherova, R.M.; Smirnov, Yu.F.; Tolstoy, V.N.

    1996-01-01

    With the aid of the projection-operator technique, the general analytic expression for the elements of the matrix that relates the U and T bases of an arbitrary finite-dimensional irreducible representation of the uq(3) quantum algebra (Weyl q-coefficients) is obtained for the case where the deformation parameter q is not equal to a square root of unity. The procedure for resummation of q-factorial expressions is used to prove that, modulo phase factors, these Weyl q-coefficients coincide with Racah q-coefficients for the suq(2) quantum algebra. It is also shown that, on the basis of one general formula, the q-analogs of all known general analytic expressions for the 6j symbols (and Racah coefficients) of the Lie algebras of the angular momentum can be obtained by using this resummation procedure. The symmetry properties of these q coefficients are discussed. The result is formulated in the following way: the general formulas for the q-6j symbols (Racah q-coefficients) of the suq(2) quantum algebra are obtained from the general formulas for the conventional 6j symbols (Racah coefficients) of the su(2) Lie algebra by replacing directly all factorials with q-factorials, the symmetry properties of the q-6j symbols being completely coincident with the symmetry properties of the conventional 6j symbols

  15. Instability analysis and drag coefficient prediction on a swept RAE2822 wing with constant lift coefficient

    Directory of Open Access Journals (Sweden)

    Zhenrong JING

    2017-06-01

    Full Text Available Swept wing is widely used in civil aircraft, whose airfoil is chosen, designed and optimized to increase the cruise speed and decrease the drag coefficient. The parameters of swept wing, such as sweep angle and angle of attack, are determined according to the cruise lift coefficient requirement, and the drag coefficient is expected to be predicted accurately, which involves the instability characteristics and transition position of the flow. The pressure coefficient of the RAE2822 wing with given constant lift coefficient is obtained by solving the three-dimensional Navier-Stokes equation numerically, and then the mean flow is calculated by solving the boundary layer (BL equation with spectral method. The cross-flow instability characteristic of boundary layer of swept wing in the windward and leeward is analyzed by linear stability theory (LST, and the transition position is predicted by eN method. The drag coefficient is numerically predicted by introducing a laminar/turbulent indicator. A simple approach to calculate the lift coefficient of swept wing is proposed. It is found that there is a quantitative relationship between the angle of attack and sweep angle when the lift coefficient keeps constant; when the angle of attack is small, the flow on the leeward of the wing is stable. when the angle of attack is larger than 3°, the flow becomes unstable quickly; with the increase of sweep angle or angle of attack the disturbance on the windward becomes more unstable, leading to the moving forward of the transition position to the leading edge of the wing; the drag coefficient has two significant jumping growth due to the successive occurrence of transition in the windward and the leeward; the optimal range of sweep angle for civil aircraft is suggested.

  16. Meromorphic univalent function with negative coefficient

    Directory of Open Access Journals (Sweden)

    A. Dernek

    1994-01-01

    Full Text Available Let Mn be the classes of regular functions f(z=z−1+a0+a1z+… defined in the annulus 00, (n∈ℕ0, where I0f(z=f(z, If(z=(z−1−z(z−1−2∗f(z, Inf(z=I(In−1f(z, and ∗ is the Hadamard convolution. We denote by Γn=Mn⋃Γ, where Γ denotes the class of functions of the form f(z=z−1+∑k=1∞|ak|zk. We obtained that relates the modulus of the coefficients to starlikeness for the classes Mn and Γn, and coefficient inequalities for the classes Γn.

  17. Head-wave coefficients in anisotropic media

    Science.gov (United States)

    Chapman, Chris

    2018-03-01

    Reflections and transmissions from interfaces can generate head waves. Although the kinematic properties of head waves are modelled simply using ray concepts, the dynamic properties require an extension of ray theory or the use of wave theory. Head waves are important in exploration and crustal seismology as they indicate the existence of an interface and the velocity of the generating wave. Head waves have been described in the literature for isotropic media but the extension to anisotropic media seems to be lacking. The expressions for the head-wave coefficients using ray concepts or wave theory differ, and their equality is not obvious. This paper extends the theory for head-wave coefficients to anisotropic media using both ray theory and wave theory, and generalizes the proof of equality of the two methods. Simple numerical examples confirm this equality and indicate how the head-wave results can be calculated in anisotropic media and included in a ray-tracing algorithm.

  18. Gate Control Coefficient Effect on CNFET Characteristic

    International Nuclear Information System (INIS)

    Sanudin, Rahmat; Ma'Radzi, Ahmad Alabqari; Nayan, Nafarizal

    2009-01-01

    The development of carbon nanotube field-effect transistor (CNFET) as alternative to existing transistor technology has long been published and discussed. The emergence of this device offers new material and structure in building a transistor. This paper intends to do an analysis of gate control coefficient effect on CNFET performance. The analysis is based on simulation study of current-voltage (I-V) characteristic of ballistic CNFET. The simulation study used the MOSFET-like CNFET mathematical model to establish the device output characteristic. Based on the analysis of simulation result, it is found that the gate control coefficient contributes to a significant effect on the performance of CNFET. The result also shown the parameter could help to improve the device performance in terms of its output and response as well. Nevertheless, the characteristic of the carbon nanotube that acts as the channel is totally important in determining the performance of the transistor as a whole.

  19. Doppler coefficient measurements in Zebra Core 5

    International Nuclear Information System (INIS)

    Baker, A.R.; Wheeler, R.C.

    1965-11-01

    Measurements using a central hot loop in Zebra Core 5 are described. Results are given for the Doppler coefficients found in a number of assemblies with PuO 2 and 16% PuO 2 /84% depleted UO 2 pins, loaded with different combinations of steel, sodium or void pins. The mixed oxide results are in general about 20% more negative than was calculated using the FD2 data set, but agreement is good if the plutonium contributions in the calculations are omitted. The small positive Doppler coefficient calculated for Pu239 was not observed, and two measurements indicated instead a small negative effect. The Doppler effect in the mixed oxide systems was found to vary approximately as 1/T. The results from the empty loop and non-fissile assemblies indicate either a small negative Doppler effect in steel or alternatively the presence of an unexplained expansion effect. (author)

  20. The coefficient of friction, particularly of ice

    International Nuclear Information System (INIS)

    Mills, Allan

    2008-01-01

    The static and dynamic coefficients of friction are defined, and values from 0.3 to 0.6 are quoted for common materials. These drop to about 0.15 when oil is added as a lubricant. Water ice at temperatures not far below 0 °C is remarkable for low coefficients of around 0.05 for static friction and 0.04–0.02 for dynamic friction, but these figures increase as the temperature diminishes. Reasons for the slipperiness of ice are summarized, but they are still not entirely clear. One hypothesis suggests that it is related to the transient formation of a lubricating film of liquid water produced by frictional heating. If this is the case, some composition melting a little above ambient temperatures might provide a skating rink that did not require expensive refrigeration. Various compositions have been tested, but an entirely satisfactory material has yet to be found

  1. Analytical expressions for the electron backscattering coefficient

    International Nuclear Information System (INIS)

    August, H.J.; Wernisch, J.

    1989-01-01

    Several analytical expressions for the electron backscattering coefficient for massive homogeneous samples are compared with experimental data, directing special attention to the dependence of this quantity on the electron acceleration energy. It is shown that this dependence generally cannot be neglected. The expression proposed by Hunger and Kuechler turns out to be better than that of Love and Scott, although even the better formula can be slightly improved by a small modification. (author)

  2. Effective stress coefficient for uniaxial strain condition

    DEFF Research Database (Denmark)

    Alam, M.M.; Fabricius, I.L.

    2012-01-01

    The effective stress coefficient, introduced by Biot, is used for predicting effective stress or pore pressure in the subsurface. It is not a constant value. It is different for different types of sediment and it is stress dependent. We used a model, based on contact between the grains to describ...... determined under uniaxial strain condition will be more relevant in reservoir studies. Copyright 2012 ARMA, American Rock Mechanics Association....

  3. Determination of dispersion coefficients in the River Plate

    International Nuclear Information System (INIS)

    Maggio, G.E.; Graino, J.G.; Kopp, U.I.; Tripoli, C.R.

    1987-01-01

    The determination of dispersion coefficients of contaminants through a radioactive tracer was performed as a contribution to the development of a mathematical model for a zone of the River Plate, close to the effluent discharge. During March 1987, six operations of tracer (I-131) injection and follow-up were carried out. The injection was performed by breaking a bulb under water and the follow-up of the 'radioactive spot' was done by means of a boat. Once the 'radioactive spot' was located (approximately 2 hours after the injection) a series of transversal movements over it was effected, measuring the activity concentration by means of a submerged detector. At the same time the coordinates of each point were determined in order to draw a map of the activity distribution. This procedure was repeated for different spot positions. This set of data can be plotted on a map of the zone under study, so as to obtain a set of iso activity curves. However, these curves would be representative provided that corrections are made for the boat speed, the water speed and the half-life of radionuclide. From each set of iso activity curves, the variance and the increase of variance, as well as the dispersion coefficients, can be determined. This procedure was applied to each one of the six above mentioned operations. Presently, different values of dispersion coefficient are available for different river conditions. These values, together with other parameters, such as wind velocity, temperature, salinity, bacterial behaviour, etc., will allow the calibration of the mathematical model. (Author)

  4. Varying coefficients model with measurement error.

    Science.gov (United States)

    Li, Liang; Greene, Tom

    2008-06-01

    We propose a semiparametric partially varying coefficient model to study the relationship between serum creatinine concentration and the glomerular filtration rate (GFR) among kidney donors and patients with chronic kidney disease. A regression model is used to relate serum creatinine to GFR and demographic factors in which coefficient of GFR is expressed as a function of age to allow its effect to be age dependent. GFR measurements obtained from the clearance of a radioactively labeled isotope are assumed to be a surrogate for the true GFR, with the relationship between measured and true GFR expressed using an additive error model. We use locally corrected score equations to estimate parameters and coefficient functions, and propose an expected generalized cross-validation (EGCV) method to select the kernel bandwidth. The performance of the proposed methods, which avoid distributional assumptions on the true GFR and residuals, is investigated by simulation. Accounting for measurement error using the proposed model reduced apparent inconsistencies in the relationship between serum creatinine and GFR among different clinical data sets derived from kidney donor and chronic kidney disease source populations.

  5. Ionic molal conductivities, activity coefficients, and dissociation constants of HAsO42− and H2AsO4− from 5 to 90°C and ionic strengths from 0.001 up to 3 mol kg−1 and applications in natural systems

    Science.gov (United States)

    Zhu, Xiangyu; Nordstrom, D. Kirk; McCleskey, R. Blaine; Wang, Rucheng

    2016-01-01

    Arsenic is known to be one of the most toxic inorganic elements, causing worldwide environmental contamination. However, many fundamental properties related to aqueous arsenic species are not well known which will inhibit our ability to understand the geochemical behavior of arsenic (e.g. speciation, transport, and solubility). Here, the electrical conductivity of Na2HAsO4 solutions has been measured over the concentration range of 0.001–1 mol kg−1 and the temperature range of 5–90°C. Ionic strength and temperature-dependent equations were derived for the molal conductivity of HAsO42−and H2AsO4− aqueous ions. Combined with speciation calculations and the approach used by McCleskey et al. (2012b), these equations can be used to calculate the electrical conductivities of arsenic-rich waters having a large range of effective ionic strengths (0.001–3 mol kg−1) and temperatures (5–90°C). Individual ion activity coefficients for HAsO42− and H2AsO4− in the form of the Hückel equation were also derived using the mean salt method and the mean activity coefficients of K2HAsO4 (0.001–1 mol kg−1) and KH2AsO4 (0.001–1.3 mol kg−1). A check on these activity coefficients was made by calculating mean activity coefficients for Na2HAsO4 and NaH2AsO4 solutions and comparing them to measured values. At the same time Na-arsenate complexes were evaluated. The NaH2AsO40 ion pair is negligible in NaH2AsO4 solutions up to 1.3 mol kg−1. The NaHAsO4− ion pair is important in NaHAsO4 solutions >0.1 mol kg−1 and the formation constant of 100.69 was confirmed. The enthalpy, entropy, free energy and heat capacity for the second and third arsenic acid dissociation reactions were calculated from pH measurements. These properties have been incorporated into a widely used geochemical calculation code WATEQ4F and applied to natural arsenic waters. For arsenic spiked water samples from Yellowstone National Park, the mean difference between the

  6. Frictional coefficient depending on active friction radius with BPV ...

    African Journals Online (AJOL)

    Gillspie T.D. 1965.Fundamentals of Vehicle Dyanamics.Society of Automotive Engineers. 294 p. Han S., Guo, Rui, Cai Y., Tian X., 2014.Disc Break equal analysis of Car. International Conference on Computer,. Communications and Information Technology, China North China institute of Aerospace Engineering, China.

  7. Optimized Finite-Difference Coefficients for Hydroacoustic Modeling

    Science.gov (United States)

    Preston, L. A.

    2014-12-01

    Responsible utilization of marine renewable energy sources through the use of current energy converter (CEC) and wave energy converter (WEC) devices requires an understanding of the noise generation and propagation from these systems in the marine environment. Acoustic noise produced by rotating turbines, for example, could adversely affect marine animals and human-related marine activities if not properly understood and mitigated. We are utilizing a 3-D finite-difference acoustic simulation code developed at Sandia that can accurately propagate noise in the complex bathymetry in the near-shore to open ocean environment. As part of our efforts to improve computation efficiency in the large, high-resolution domains required in this project, we investigate the effects of using optimized finite-difference coefficients on the accuracy of the simulations. We compare accuracy and runtime of various finite-difference coefficients optimized via criteria such as maximum numerical phase speed error, maximum numerical group speed error, and L-1 and L-2 norms of weighted numerical group and phase speed errors over a given spectral bandwidth. We find that those coefficients optimized for L-1 and L-2 norms are superior in accuracy to those based on maximal error and can produce runtimes of 10% of the baseline case, which uses Taylor Series finite-difference coefficients at the Courant time step limit. We will present comparisons of the results for the various cases evaluated as well as recommendations for utilization of the cases studied. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

  8. Comparison of field-measured radon diffusion coefficients with laboratory-measured coefficients

    International Nuclear Information System (INIS)

    Lepel, E.A.; Silker, W.B.; Thomas, V.W.; Kalkwarf, D.R.

    1983-04-01

    Experiments were conducted to compare radon diffusion coefficients determined for 0.1-m depths of soils by a steady-state method in the laboratory and diffusion coefficients evaluated from radon fluxes through several-fold greater depths of the same soils covering uranium-mill tailings. The coefficients referred to diffusion in the total pore volume of the soils and are equivalent to values for the quantity, D/P, in the Generic Environmental Impact Statement on Uranium Milling prepared by the US Nuclear Regulatory Commission. Two soils were tested: a well-graded sand and an inorganic clay of low plasticity. For the flux evaluations, radon was collected by adsorption on charcoal following passive diffusion from the soil surface and also from air recirculating through an aluminum tent over the soil surface. An analysis of variance in the flux evaluations showed no significant difference between these two collection methods. Radon diffusion coefficients evaluated from field data were statistically indistinguishable, at the 95% confidence level, from those measured in the laboratory; however, the low precision of the field data prevented a sensitive validation of the laboratory measurements. From the field data, the coefficients were calculated to be 0.03 +- 0.03 cm 2 /s for the sand cover and 0.0036 +- 0.0004 cm 2 /s for the clay cover. The low precision in the coefficients evaluated from field data was attributed to high variation in radon flux with time and surface location at the field site

  9. Studies on the matched potential method for determining the selectivity coefficients of ion-selective electrodes based on neutral ionophores: experimental and theoretical verification.

    Science.gov (United States)

    Tohda, K; Dragoe, D; Shibata, M; Umezawa, Y

    2001-06-01

    A theory is presented that describes the matched potential method (MPM) for the determination of the potentiometric selectivity coefficients (KA,Bpot) of ion-selective electrodes for two ions with any charge. This MPM theory is based on electrical diffuse layers on both the membrane and the aqueous side of the interface, and is therefore independent of the Nicolsky-Eisenman equation. Instead, the Poisson equation is used and a Boltzmann distribution is assumed with respect to all charged species, including primary, interfering and background electrolyte ions located at the diffuse double layers. In this model, the MPM-selectivity coefficients of ions with equal charge (ZA = ZB) are expressed as the ratio of the concentrations of the primary and interfering ions in aqueous solutions at which the same amounts of the primary and interfering ions permselectively extracted into the membrane surface. For ions with unequal charge (ZA not equal to ZB), the selectivity coefficients are expressed as a function not only of the amounts of the primary and interfering ions permeated into the membrane surface, but also of the primary ion concentration in the initial reference solution and the delta EMF value. Using the measured complexation stability constants and single ion distribution coefficients for the relevant systems, the corresponding MPM selectivity coefficients can be calculated from the developed MPM theory. It was found that this MPM theory is capable of accurately and precisely predicting the MPM selectivity coefficients for a series of ion-selective electrodes (ISEs) with representative ionophore systems, which are generally in complete agreement with independently determined MPM selectivity values from the potentiometric measurements. These results also conclude that the assumption for the Boltzmann distribution was in fact valid in the theory. The recent critical papers on MPM have pointed out that because the MPM selectivity coefficients are highly concentration

  10. On separation of exchange term from the coefficient of the ...

    Indian Academy of Sciences (India)

    Abstract. The purpose of this analysis is to introduce the separated exchange coefficient and to graphically investigate it. This coefficient, depending on the electromagnetic constant plus two coefficients of the electromechanical and magnetomechanical couplings, form the coefficient of magnetoelectromechanical coupling ...

  11. Determination of coefficient matrices for ARMA model

    International Nuclear Information System (INIS)

    Tran Dinh Tri.

    1990-10-01

    A new recursive algorithm for determining coefficient matrices of ARMA model from measured data is presented. The Yule-Walker equations for the case of ARMA model are derived from the ARMA innovation equation. The recursive algorithm is based on choosing appropriate form of the operator functions and suitable representation of the (n+1)-th order operator functions according to ones with the lower order. Two cases, when the order of the AR part is equal to one of the MA part, and the optimal case, were considered. (author) 5 refs

  12. Kinetic coefficients in isotopically disordered crystals

    International Nuclear Information System (INIS)

    Zhernov, Arkadii P; Inyushkin, Alexander V

    2002-01-01

    Peculiarities of the behavior of kinetic coefficients, like thermal conductivity, electric conductivity, and thermoelectric power, in isotopically disordered materials are reviewed in detail. New experimental and theoretical results on the isotope effects in the thermal conductivity of diamond, Ge, and Si semiconductors are presented. The suppression effect of phonon-drag thermopower in the isotopically disordered Ge crystals is discussed. The influence of dynamic and static crystal lattice deformations on the electric conductivity of metals as well as on the ordinary phonon spectrum deformations is considered. (reviews of topical problems)

  13. Peltier coefficient measurement in a thermoelectric module

    International Nuclear Information System (INIS)

    Garrido, Javier; Casanovas, Alejandro; Chimeno, José María

    2013-01-01

    A new method for measuring the Peltier coefficient in a thermocouple X/Y based on the energy balance at the junction has been proposed recently. This technique needs only the hot and cold temperatures of a thermoelectric module when an electric current flows through it as the operational variables. The temperature evolutions of the two module sides provide an evident and accurate idea of the Peltier effect. From these temperatures, the heat transfer between the module and the ambient is also evaluated. The thermoelectric phenomena are described in the framework of an observable theory. Based on this procedure, an experiment is presented for a university teaching laboratory at the undergraduate level. (paper)

  14. Transport coefficients in copper vapor arc plasmas

    International Nuclear Information System (INIS)

    Rahal, A.M.; Rahhaoui, B.; Vacquie, S.

    1985-01-01

    The presence of copper vapors modifies the properties of arc discharges. The paper deals with a region not investigated earlier, where in the core of the positive column of very short or high current arcs there is a high copper concentration. At these values the relative losses take a greater part in the energy balance. Using the charged-charged collision integrals, the transport coefficients (axial temperature, thermal and electric conductivity, viscosity) of the plasma with higher copper vapor concentration are calculated as the function of the arc current intensity. (D.Gy.)

  15. Quenching of Einstein-coefficients by photons

    International Nuclear Information System (INIS)

    Aumayr, F.; Lee, W.; Skinner, C.H.; Suckewer, S.

    1991-03-01

    Experimental evidence is presented for the change of Einstein's A- coefficients for spontaneous transitions from the upper laser level of argon ion laser discharge due to the presence of the high- intensity laser flux. To demonstrate that this quenching effect cannot be attributed to a reduction in self-absorption of the strong spontaneous emission line, absorption and line profile measurements have been performed. Computer modelling of the reduction of self absorption due to Rabi splitting also indicated that this effect is too small to explain the observed quenching of spontaneous line emissions. 13 refs., 11 figs

  16. Effective Diffusion Coefficients in Coal Chars

    DEFF Research Database (Denmark)

    Johnsson, Jan Erik; Jensen, Anker

    2001-01-01

    Knowledge of effective diffusion coefficients in char particles is important when interpreting experimental reactivity measurements and modeling char combustion or NO and N2O reduction. In this work, NO and N2O reaction with a bituminous coal char was studied in a fixed-bed quartz glass reactor....... In the case of strong pore diffusion limitations, the error in the interpretation of experimental results using the mean pore radius could be a factor of 5 on the intrinsic rate constant. For an average coal char reacting with oxygen at 1300 K, this would be the case for particle sizes larger than about 50...

  17. Friction coefficient determination by electrical resistance measurements

    Science.gov (United States)

    Tunyagi, A.; Kandrai, K.; Fülöp, Z.; Kapusi, Z.; Simon, A.

    2018-05-01

    A simple and low-cost, DIY-type, Arduino-driven experiment is presented for the study of friction and measurement of the friction coefficient, using a conductive rubber cord as a force sensor. It is proposed for high-school or college/university-level students. We strongly believe that it is worthwhile planning, designing and performing Arduino and compatible sensor-based experiments in physics class in order to ensure a better understanding of phenomena, develop theoretical knowledge and multiple experimental skills.

  18. Osmotic coefficients of alcoholic mixtures containing BMpyrDCA: Experimental determination and correlation

    International Nuclear Information System (INIS)

    Calvar, N.; Domínguez, Á.; Macedo, E.A.

    2014-01-01

    Graphical abstract: - Highlights: • Osmotic coefficients of alcohols with BMpyrDCA ionic liquid are determined. • Experimental data were correlated with Extended Pitzer model of Archer and MNRTL. • Mean molal activity coefficients and excess Gibbs free energies were calculated. • The results have been interpreted in terms of interactions. - Abstract: The vapour pressure osmometry technique (VPO) has been used to obtain the osmotic coefficients of the binary mixtures of the primary and secondary alcohols 1-propanol, 2-propanol, 1-butanol, 2-butanol and 1-pentanol with the ionic liquid 1-butyl-1-methylpyrrolidinium dicyanamide, BMpyrDCA. From these coefficients, the corresponding activity coefficients and vapour pressures of the mixtures have been also determined. The results have been discussed in terms of solute–solvent and ion–ion interactions and have been compared with those taken from literature in order to analyse the influence of the anion or cation constituting the ionic liquid. For the treatment of the experimental data, the Extended Pitzer model of Archer and the MNRTL model have been applied, obtaining standard deviations from the experimental osmotic coefficients lower than 0.015 and 0.065, respectively. From the parameters obtained with the Extended Pitzer model or Archer, the mean molal activity coefficients and the excess Gibbs free energy for the studied mixtures have been calculated

  19. Coefficient adaptive triangulation for strongly anisotropic problems

    Energy Technology Data Exchange (ETDEWEB)

    D`Azevedo, E.F.; Romine, C.H.; Donato, J.M.

    1996-01-01

    Second order elliptic partial differential equations arise in many important applications, including flow through porous media, heat conduction, the distribution of electrical or magnetic potential. The prototype is the Laplace problem, which in discrete form produces a coefficient matrix that is relatively easy to solve in a regular domain. However, the presence of anisotropy produces a matrix whose condition number is increased, making the resulting linear system more difficult to solve. In this work, we take the anisotropy into account in the discretization by mapping each anisotropic region into a ``stretched`` coordinate space in which the anisotropy is removed. The region is then uniformly triangulated, and the resulting triangulation mapped back to the original space. The effect is to generate long slender triangles that are oriented in the direction of ``preferred flow.`` Slender triangles are generally regarded as numerically undesirable since they tend to cause poor conditioning; however, our triangulation has the effect of producing effective isotropy, thus improving the condition number of the resulting coefficient matrix.

  20. The convergence coefficient across political systems.

    Science.gov (United States)

    Gallego, Maria; Schofield, Norman

    2013-01-01

    Formal work on the electoral model often suggests that parties or candidates should locate themselves at the electoral mean. Recent research has found no evidence of such convergence. In order to explain nonconvergence, the stochastic electoral model is extended by including estimates of electoral valence. We introduce the notion of a convergence coefficient, c. It has been shown that high values of c imply that there is a significant centrifugal tendency acting on parties. We used electoral surveys to construct a stochastic valence model of the the elections in various countries. We find that the convergence coefficient varies across elections in a country, across countries with similar regimes, and across political regimes. In some countries, the centripetal tendency leads parties to converge to the electoral mean. In others the centrifugal tendency dominates and some parties locate far from the electoral mean. In particular, for countries with proportional electoral systems, namely, Israel, Turkey, and Poland, the centrifugal tendency is very high. In the majoritarian polities of the United States and Great Britain, the centrifugal tendency is very low. In anocracies, the autocrat imposes limitations on how far from the origin the opposition parties can move.

  1. Sets of Fourier coefficients using numerical quadrature

    International Nuclear Information System (INIS)

    Lyness, J. N.

    2001-01-01

    One approach to the calculation of Fourier trigonometric coefficients f(r) of a given function f(x) is to apply the trapezoidal quadrature rule to the integral representation f(r)=(line i ntegral)(sub 0)(sup 1) f(x)e(sup -2(pi)irx)dx. Some of the difficulties in this approach are discussed. A possible way of overcoming many of these is by means of a subtraction function. Thus, one sets f(x)= h(sub p-1)(x)+ g(sub p)(x), where h(sub -1)(x) is an algebraic polynomial of degree p-1, specified in such a way that the Fourier series of g(sub p)(x) converges more rapidly than that of f(x). To obtain the Fourier coefficients of f(x), one uses an analytic expression for those of h(sub p-1)(x) and numerical quadrature to approximately those of g(sub p)(x)

  2. Full wave-field reflection coefficient inversion.

    Science.gov (United States)

    Dettmer, Jan; Dosso, Stan E; Holland, Charles W

    2007-12-01

    This paper develops a Bayesian inversion for recovering multilayer geoacoustic (velocity, density, attenuation) profiles from a full wave-field (spherical-wave) seabed reflection response. The reflection data originate from acoustic time series windowed for a single bottom interaction, which are processed to yield reflection coefficient data as a function of frequency and angle. Replica data for inversion are computed using a wave number-integration model to calculate the full complex acoustic pressure field, which is processed to produce a commensurate seabed response function. To address the high computational cost of calculating short range acoustic fields, the inversion algorithms are parallelized and frequency averaging is replaced by range averaging in the forward model. The posterior probability density is interpreted in terms of optimal parameter estimates, marginal distributions, and credibility intervals. Inversion results for the full wave-field seabed response are compared to those obtained using plane-wave reflection coefficients. A realistic synthetic study indicates that the plane-wave assumption can fail, producing erroneous results with misleading uncertainty bounds, whereas excellent results are obtained with the full-wave reflection inversion.

  3. The Convergence Coefficient across Political Systems

    Science.gov (United States)

    Schofield, Norman

    2013-01-01

    Formal work on the electoral model often suggests that parties or candidates should locate themselves at the electoral mean. Recent research has found no evidence of such convergence. In order to explain nonconvergence, the stochastic electoral model is extended by including estimates of electoral valence. We introduce the notion of a convergence coefficient, c. It has been shown that high values of c imply that there is a significant centrifugal tendency acting on parties. We used electoral surveys to construct a stochastic valence model of the the elections in various countries. We find that the convergence coefficient varies across elections in a country, across countries with similar regimes, and across political regimes. In some countries, the centripetal tendency leads parties to converge to the electoral mean. In others the centrifugal tendency dominates and some parties locate far from the electoral mean. In particular, for countries with proportional electoral systems, namely, Israel, Turkey, and Poland, the centrifugal tendency is very high. In the majoritarian polities of the United States and Great Britain, the centrifugal tendency is very low. In anocracies, the autocrat imposes limitations on how far from the origin the opposition parties can move. PMID:24385886

  4. Thermal neutron diffusion cooling coefficient for plexiglass

    International Nuclear Information System (INIS)

    Drozdowicz, K.

    1992-08-01

    The thermal neutron diffusion cooling coefficient is a macroscopic material parameter. It is needed for description of the decay of the thermal neutron pulse in a medium and gives information of the diffusion cooling of the thermal neutron spectrum in a bounded volume. Experimental results from various measurements for plexiglass are overviewed in the paper. A method for theoretical, exact calculation of the parameter is presented. The formula utilizes some other thermal neutron parameters and a cooling function, i.e. the function which describes the deviation of the neutron spectrum in a bounded system from the distribution in an infinite one. The energy dependence of the function is obtained numerically from relations which results from the eigenvalue problem of the scattering operator when both the decay constant and the spectrum of the thermal neutron flux are developed on powers of the geometrical buckling. The case of a 1/ν absorption cross section is considered. The calculation utilizes a synthetic scattering function elaborated for hydrogenous media by GRANADA (1985). The influence of some quantities used in the calculation on the final result is investigated. The obtained value of the diffusion cooling coefficient for plexiglass is C = 6514 cm 4 s -1 at the temperature of 20 degrees C. The uncertainty is estimated to be ± 100 cm 4 s -1 within the physical model of the scattering kernel used. (au)

  5. Measurement and prediction of aromatic solute distribution coefficients for aqueous-organic solvent systems. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Campbell, J.R.; Luthy, R.G.

    1984-06-01

    Experimental and modeling activities were performed to assess techniques for measurement and prediction of distribution coefficients for aromatic solutes between water and immiscible organic solvents. Experiments were performed to measure distribution coefficients in both clean water and wastewater systems, and to assess treatment of a wastewater by solvent extraction. The theoretical portions of this investigation were directed towards development of techniques for prediction of solute-solvent/water distribution coefficients. Experiments were performed to assess treatment of a phenolic-laden coal conversion wastewater by solvent extraction. The results showed that solvent extraction for recovery of phenolic material offered several wastewater processing advantages. Distribution coefficients were measured in clean water and wastewater systems for aromatic solutes of varying functionality with different solvent types. It was found that distribution coefficients for these compounds in clean water systems were not statistically different from distribution coefficients determined in a complex coal conversion process wastewater. These and other aromatic solute distribution coefficient data were employed for evaluation of modeling techniques for prediction of solute-solvent/water distribution coefficients. Eight solvents were selected in order to represent various chemical classes: toluene and benzene (aromatics), hexane and heptane (alkanes), n-octanol (alcohols), n-butyl acetate (esters), diisopropyl ether (ethers), and methylisobutyl ketone (ketones). The aromatic solutes included: nonpolar compounds such as benzene, toluene and naphthalene, phenolic compounds such as phenol, cresol and catechol, nitrogenous aromatics such as aniline, pyridine and aminonaphthalene, and other aromatic solutes such as naphthol, quinolinol and halogenated compounds. 100 references, 20 figures, 34 tables.

  6. Questionnaire discrimination: (re-introducing coefficient δ

    Directory of Open Access Journals (Sweden)

    Hankins Matthew

    2007-05-01

    Full Text Available Abstract Background Questionnaires are used routinely in clinical research to measure health status and quality of life. Questionnaire measurements are traditionally formally assessed by indices of reliability (the degree of measurement error and validity (the extent to which the questionnaire measures what it is supposed to measure. Neither of these indices assesses the degree to which the questionnaire is able to discriminate between individuals, an important aspect of measurement. This paper introduces and extends an existing index of a questionnaire's ability to distinguish between individuals, that is, the questionnaire's discrimination. Methods Ferguson (1949 1 derived an index of test discrimination, coefficient δ, for psychometric tests with dichotomous (correct/incorrect items. In this paper a general form of the formula, δG, is derived for the more general class of questionnaires allowing for several response choices. The calculation and characteristics of δG are then demonstrated using questionnaire data (GHQ-12 from 2003–2004 British Household Panel Survey (N = 14761. Coefficients for reliability (α and discrimination (δG are computed for two commonly-used GHQ-12 coding methods: dichotomous coding and four-point Likert-type coding. Results Both scoring methods were reliable (α > 0.88. However, δG was substantially lower (0.73 for the dichotomous coding of the GHQ-12 than for the Likert-type method (δG = 0.96, indicating that the dichotomous coding, although reliable, failed to discriminate between individuals. Conclusion Coefficient δG was shown to have decisive utility in distinguishing between the cross-sectional discrimination of two equally reliable scoring methods. Ferguson's δ has been neglected in discussions of questionnaire design and performance, perhaps because it has not been implemented in software and was restricted to questionnaires with dichotomous items, which are rare in health care research. It is

  7. APRECOT - analysis program for reactivity coefficient tests

    International Nuclear Information System (INIS)

    Telford, A.R.R.

    1979-05-01

    A computer program has been written which provides a rapid and convenient analysis route for fuel temperature coefficient of reactivity measurements, as carried out at Hinkley Point 'B' Power Station. This replaces the earlier, more tedious, iterative analysis using KINAGRAX. The program has been tested by analysing computer simulations of reactor tests. This has shown that APRECOT introduces errors which are small (approximately 11/2%) in comparison with other sources of error (approximately 10%), that the effect of axial flux shape changes is acceptably small and that effects due to xenon, which is not modelled in the current version of the program, can be dealt with adequately. This note describes the APRECOT method, including details of input and output to the program and gives results of the numerical tests made of the method. (author)

  8. Stochastic algorithm for simulating gas transport coefficients

    Science.gov (United States)

    Rudyak, V. Ya.; Lezhnev, E. V.

    2018-02-01

    The aim of this paper is to create a molecular algorithm for modeling the transport processes in gases that will be more efficient than molecular dynamics method. To this end, the dynamics of molecules are modeled stochastically. In a rarefied gas, it is sufficient to consider the evolution of molecules only in the velocity space, whereas for a dense gas it is necessary to model the dynamics of molecules also in the physical space. Adequate integral characteristics of the studied system are obtained by averaging over a sufficiently large number of independent phase trajectories. The efficiency of the proposed algorithm was demonstrated by modeling the coefficients of self-diffusion and the viscosity of several gases. It was shown that the accuracy comparable to the experimental one can be obtained on a relatively small number of molecules. The modeling accuracy increases with the growth of used number of molecules and phase trajectories.

  9. Clustering stocks using partial correlation coefficients

    Science.gov (United States)

    Jung, Sean S.; Chang, Woojin

    2016-11-01

    A partial correlation analysis is performed on the Korean stock market (KOSPI). The difference between Pearson correlation and the partial correlation is analyzed and it is found that when conditioned on the market return, Pearson correlation coefficients are generally greater than those of the partial correlation, which implies that the market return tends to drive up the correlation between stock returns. A clustering analysis is then performed to study the market structure given by the partial correlation analysis and the members of the clusters are compared with the Global Industry Classification Standard (GICS). The initial hypothesis is that the firms in the same GICS sector are clustered together since they are in a similar business and environment. However, the result is inconsistent with the hypothesis and most clusters are a mix of multiple sectors suggesting that the traditional approach of using sectors to determine the proximity between stocks may not be sufficient enough to diversify a portfolio.

  10. Tracking time-varying coefficient-functions

    DEFF Research Database (Denmark)

    Nielsen, Henrik Aalborg; Nielsen, Torben Skov; Joensen, Alfred K.

    2000-01-01

    A method for adaptive and recursive estimation in a class of non-linear autoregressive models with external input is proposed. The model class considered is conditionally parametric ARX-models (CPARX-models), which is conventional ARX-models in which the parameters are replaced by smooth, but oth......A method for adaptive and recursive estimation in a class of non-linear autoregressive models with external input is proposed. The model class considered is conditionally parametric ARX-models (CPARX-models), which is conventional ARX-models in which the parameters are replaced by smooth...... is a combination of recursive least squares with exponential forgetting and local polynomial regression. It is argued, that it is appropriate to let the forgetting factor vary with the value of the external signal which is the argument of the coefficient functions. Some of the key properties of the modified method...

  11. Molar extinction coefficients of some fatty acids

    DEFF Research Database (Denmark)

    Sandhu, G.K.; Singh, K.; Lark, B.S.

    2002-01-01

    The attenuation of gamma rays in some fatty acids, viz. formic acid (CH2O2), acetic acid (C2H4O2), propionic acid (C3H6O2), butyric acid (C4H8O2), n-hexanoic acid (C6H12O2), n-caprylic acid (C8H16O2), lauric acid (C12H24O2), myristic acid (C14H28O2), palmitic acid (C16H32O2), oleic acid (C18H34O2......) and stearic acid (C18H36O2), has been measured at the photon energies 81, 356, 511, 662, 1173 and 1332 keV. Experimental values for the molar extinction coefficient, the effective atomic number and the electron density have been derived and compared with theoretical calculations. There is good agreement...

  12. Coefficient of performance of Stirling refrigerators

    Science.gov (United States)

    E Mungan, Carl

    2017-09-01

    Stirling coolers transfer heat in or out of the working fluid during all four stages of their operation, and their coefficient of performance depends on whether the non-isothermal heat exchanges are performed reversibly or irreversibly. Both of these possibilities can in principle be arranged. Notably, if the working fluid is an ideal gas, the input of energy in the form of heat during one isochoric step is equal in magnitude to the output during the other isochoric step in the cycle. The theoretical performance of the fridge can then attain the reversible Carnot limit if a regenerator is used, which is a high heat capacity material through which the gas flows. Various Stirling refrigerator configurations are analysed in this article at a level of presentation suitable for an introductory undergraduate thermodynamics course.

  13. Thermal expansion coefficient determination by CBED

    International Nuclear Information System (INIS)

    Angelini, P.; Bentley, J.

    1984-01-01

    The present application of CBED involves measurements of thermal-expansion coefficients by measurement of changes in HOLZ line positions as a function of temperature. Previous work on this subject was performed on Si at a constant accelerating voltage of 100 kV between about 90 and 600 K. Diffraction patterns were recorded and line shifts correlated to lattice parameter changes. Differences were noted between values determined by CBED and accepted thermal expansion values. Significant HOLZ line interactions and splitting occurring in the (111) patterns were noted to contribute to the differences. Preliminary measurements have been made on Al, Al 2 O 3 , and single-crystal tau (Ni/sub 20.3/Ti/sub 2.7/B 6 ). An example of changes in HOLZ lines present in (114) patterns for Al are shown and the effect of temperature on the position of lines in the pattern illustrated

  14. Upper bounds for flexoelectric coefficients in ferroelectrics

    Science.gov (United States)

    Yudin, P. V.; Ahluwalia, R.; Tagantsev, A. K.

    2014-02-01

    Flexoelectric effect is the response of electric polarization to the mechanical strain gradient. At the nano-scale, where large strain gradients are expected, the flexoelectric effect becomes appreciable and may substitute piezoelectric effect in centrosymmetric materials. These features make flexoelectricity of growing interest during the last decade. At the same time, the available theoretical and experimental results are rather contradictory. In particular, experimentally measured flexoelectric coefficients in some ferroelectric materials largely exceed theoretically predicted values. Here, we determine the upper limits for the magnitude of the static bulk contribution to the flexoelectric effect in ferroelectrics, the contribution which was customarily considered as the dominating one. The magnitude of the upper bounds obtained suggests that the anomalously high flexoelectric coupling documented for perovskite ceramics can hardly be attributed to a manifestation of the static bulk effect.

  15. Thermal linear expansion coefficient of structural graphites

    International Nuclear Information System (INIS)

    Virgil'ev, Yu.S.

    1995-01-01

    The data now available on radiation induced changes of linear thermal expansion coefficients (CTE) for native structural carbon materials (SCM) irradiated with high fluences are summarized. For different types of native and foreign SCM dose dependences of CTE changes in the temperature range of 300...1600 K and at fluences up to (2...3)x10 22 n/cm 2 (E>0.18 meV) are compared. On the base of this comparison factors defined the CTE changes under neutron irradiation are revealed and the explanation of observed phenomena is offered. Large number of the factors revealed does not allowed to calculate CTE radiation induced changes. 39 refs.; 16 figs.; 5 tabs

  16. Effective Electrocardiogram Steganography Based on Coefficient Alignment.

    Science.gov (United States)

    Yang, Ching-Yu; Wang, Wen-Fong

    2016-03-01

    This study presents two types of data hiding methods based on coefficient alignment for electrocardiogram (ECG) signals, namely, lossy and reversible ECG steganographys. The lossy method is divided into high-quality and high-capacity ECG steganography, both of which are capable of hiding confidential patient data in ECG signals. The reversible data hiding method can not only hide secret messages but also completely restore the original ECG signal after bit extraction. Simulations confirmed that the perceived quality generated by the lossy ECG steganography methods was good, while hiding capacity was acceptable. In addition, these methods have a certain degree of robustness, which is rare in conventional ECG stegangraphy schemes. Moreover, the proposed reversible ECG steganography method can not only successfully extract hidden messages but also completely recover the original ECG data.

  17. Friction Experiments for Dynamical Coefficient Measurement

    Directory of Open Access Journals (Sweden)

    J. J. Arnoux

    2011-01-01

    Full Text Available An experimental study, including three experimental devices, is presented in order to investigate dry friction phenomena in a wide range of sliding speeds for the steel on steel contact. A ballistic setup, with an air gun launch, allows to estimate the friction coefficient between 20 m/s and 80 m/s. Tests are completed by an adaptation of the sensor on a hydraulic tensile machine (0.01 m/s to 3 m/s and a pin-on-disk tribometer mounted on a CNC lathe (1 to 30 m/s. The interactions at the asperity scale are characterized by a white light interferometer surface analysis.

  18. Relationship between thermal expansion coefficient and glass transition temperature in metallic glasses

    International Nuclear Information System (INIS)

    Kato, H.; Chen, H.-S.; Inoue, A.

    2008-01-01

    The thermal expansion coefficients of 13 metallic glasses were measured using a thermo-mechanical analyser. A unique correlation was found between the linear thermal expansion coefficient and the glass transition temperature-their product is nearly constant ∼8.24 x 10 -3 . If one assumes the Debye expression for thermal activation, the total linear thermal expansion up to glass transition temperature (T g ) is reduced to 6 x 10 -3 , nearly 25% of that at the fusion of pure metals

  19. Computing exact Fourier series coefficients of IC rectilinear polygons from low-resolution fast Fourier coefficients

    Science.gov (United States)

    Scheibler, Robin; Hurley, Paul

    2012-03-01

    We present a novel, accurate and fast algorithm to obtain Fourier series coefficients from an IC layer whose description consists of rectilinear polygons on a plane, and how to implement it using off-the-shelf hardware components. Based on properties of Fourier calculus, we derive a relationship between the Discrete Fourier Transforms of the sampled mask transmission function and its continuous Fourier series coefficients. The relationship leads to a straightforward algorithm for computing the continuous Fourier series coefficients where one samples the mask transmission function, compute its discrete Fourier transform and applies a frequency-dependent multiplicative factor. The algorithm is guaranteed to yield the exact continuous Fourier series coefficients for any sampling representing the mask function exactly. Computationally, this leads to significant saving by allowing to choose the maximal such pixel size and reducing the fast Fourier transform size by as much, without compromising accuracy. In addition, the continuous Fourier series is free from aliasing and follows closely the physical model of Fourier optics. We show that in some cases this can make a significant difference, especially in modern very low pitch technology nodes.

  20. Temperature coefficient for modeling denitrification in surface water sediments using the mass transfer coefficient

    Science.gov (United States)

    T.W. Appelboom; G.M. Chescheir; F. Birgand; R.W. Skaggs; J.W. Gilliam; D. Amatya

    2010-01-01

    Watershed modeling has become an important tool for researchers. Modeling nitrate transport within drainage networks requires quantifying the denitrification within the sediments in canals and streams. In a previous study, several of the authors developed an equation using a term called a mass transfer coefficient to mathematically describe sediment denitrification....

  1. Temperature Coefficient for Modeling Denitrification in Surface Water Sediments Using the Mass Transfer Coefficient

    Science.gov (United States)

    T. W. Appelboom; G. M. Chescheir; R. W. Skaggs; J. W. Gilliam; Devendra M. Amatya

    2006-01-01

    Watershed modeling has become an important tool for researchers with the high costs of water quality monitoring. When modeling nitrate transport within drainage networks, denitrification within the sediments needs to be accounted for. Birgand et. al. developed an equation using a term called a mass transfer coefficient to mathematically describe sediment...

  2. On separation of exchange term from the coefficient of the ...

    Indian Academy of Sciences (India)

    Home; Journals; Pramana – Journal of Physics; Volume 86; Issue 6 ... plus two coefficients of the electromechanical and magnetomechanical couplings, form the coefficient of magnetoelectromechanical coupling (CMEMC), a very important characteristic used for analysingmagnetoelectroelastic smart (composite) materials.

  3. Influence of roughness parameters on coefficient of friction under ...

    Indian Academy of Sciences (India)

    mm). Peak count. FD. Fractal dimension. Figure 3. Correlation coefficient between coefficient of friction and roughness parameters under lubricated conditions. White and black bars represent positive and negative correlations, respectively.

  4. Solution of heat equation with variable coefficient using derive

    CSIR Research Space (South Africa)

    Lebelo, RS

    2008-09-01

    Full Text Available are considered. The first one involves quadratic approximation of the variable coefficient by direct integration. This case is studied using a conic domain. The second case approximates the variable coefficient quadratically and by step functions. The solution...

  5. Prediction of octanol/water partition coefficient of selected ferrocene ...

    African Journals Online (AJOL)

    water partition coefficient of selected ferrocenes bearing different substituents, the calculation is based on the adaptation of the Rekker method. Our prediction of obtained theoretical partition coefficients values of logP for all studied substituted ...

  6. On separation of exchange term from the coefficient of the ...

    Indian Academy of Sciences (India)

    coefficients of the electromechanical and magnetomechanical couplings, form the coefficient of magnetoelectromechanical coupling (CMEMC), a very important characteristic used for analysing magnetoelectroelastic smart (composite) materials. It was analytically and graphically demon- strated that the CMEMC can have a ...

  7. Identification of aerodynamic coefficients with a neural network

    Science.gov (United States)

    Richardson, Kristina Anne

    2000-11-01

    The components of a framework for the procurement, identification, and employment of aerodynamic coefficients are developed. The basic structure follows the estimation-before-modeling (EBM) technique. In the EBM methodology, state estimation and model determination are broken into two independent steps. An extended Kalman-Bucy filter and a modified Bryson-Frazier smoother are used to estimate state and force histories from a measurement vector. This data is used for maintenance of the aerodynamic mapping. The model satisfies the accuracy, smoothness, and differentiability requirements demanded by nonlinear control laws. A-priori information drawn from the entire input-space is employed to establish a baseline model. Dynamic-system measurements are processed to provide the accurate state and force histories required for on-line updates of the identification model. An extended-Kalman Bucy filter provides state estimates and in combination with a random-walk model accurate force histories. A modified Bryson-Frazier smoother refines these estimates based on future measurements. The identification scheme employs a neural network to provide models of aerodynamic coefficients during dynamic-system operation. These models are valid over the entire input-output space. Prior to flight, a-priori data is incorporated into a base neural network using a new design and training algorithm. This algorithm functions in the face of an eight-dimension input vector. During flight, the parameters of the base neural are fixed, and a second set of activation functions are available for learning the surface created by the difference between the base neural network and the current dynamic-system information. The new neural network is demonstrated on a longitudinal-motion aircraft model, with static and dynamic training data, and its training speed, accuracy, and parsimony abilities versus existing neural networks are established. The identification framework is used to identify the three

  8. Measurements of soil-solution distribution coefficient

    International Nuclear Information System (INIS)

    Tsukada, Hirofumi; Hasegawa, Hidenao; Hisamatsu, Shunichi; Sakurai, Naoyuki; Koyama, Kenji

    1999-01-01

    The soil-solution distribution coefficient (Kd) is defined as the ratio of element concentrations in a soil-solid phase to that in a solution phase. It is commonly used as an important parameter for transfer models of radionuclides in different environments, such as describing the migration behavior in the geosphere and transfer behavior in the biosphere. We plan to measure the Kd of elements by means of an extraction method in soils throughout Aomori Prefecture and to probe related factors affecting their variance. However, Kd values vary widely, dependent upon conditions of measurements even if a similar soil sample is measured. Therefore, measurement conditions for the Kd of elements were examined in the present study and the following conditions were adopted. A collected soil sample was passed through a 2 mm sieve and dried at 50degC. The ratio of solution to solid was 10. The mixture sample was shaken for 24 h at 20degC in a clean centrifuge bottle which was made of polypropylene copolymer (PPCO). According to the literature, common soil types in Aomori Prefecture are as follows: andosols in the Sanpachi-Kamikita region, gray lowland and upland soils in the Tsugaru region, sand-dune regosols in Kizukuri-machi, peat soils around lakes and so on. The Kd values for those soil types will be measured hereafter. (author)

  9. Townsend coefficients of gases in avalanche counters

    International Nuclear Information System (INIS)

    Brunner, G.

    1978-01-01

    Though much work has been done by many authors in the last few years in the development and application of avalanche counters for ion radiation, it is based upon values of the Townsend coefficients as the essential gas parameter, which were determined many years ago for much lower reduced field strengths F/p than prevail in such counters. Therefore absolute determinations of α in vapours of methyl alcohol, cyclohexane, acetone, and n-heptene were performed under original conditions of avalanche counters. The values obtained do not differ by more than 30%-50% from the former values indeed, extrapolated over F/p for the first three mentioned substances, but the amounts of A and B in the usual representation α/p=A exp(-B(F/p)) are much greater for the stronger reduced fields. This is of importance for such counter properties as the dependence of pulse heights on pressure, voltage, electrode distance etc., which are governed by other combinations of A and B than α/p itself. A comparison of results for different ionic radiations shows a marked influence of the primary ionization density along the particle tracks which is hard to explain. (Auth.)

  10. Asymmetrical slip propensity: required coefficient of friction.

    Science.gov (United States)

    Seo, Jung-suk; Kim, Sukwon

    2013-07-31

    Most studies in performing slips and falls research reported their results after the ipsilateral leg of subjects (either right foot or left foot) was guided to contact the contaminated floor surface although many studies indicated concerns for asymmetries of legs in kinematic or kinetic variables. Thus, the present study evaluated if dominant leg's slip tendency would be different from non-dominant leg's slip tendency by comparing the Required Coefficient of Friction (RCOF) of the two lower limbs. Forty seven health adults participated in the present study. RCOF was measured when left or right foot of subjects contacted the force platforms respectively. Paired t-test was performed to test if RCOF and heel velocity (HCV) of dominant legs was different from that of non-dominant legs. It was suggested that the asymmetry in RCOFs and HCV between the two lower limbs existed. The RCOFs of non-dominant legs were higher than that of dominant legs. The results indicated that asymmetry in slip propensity, RCOF, was existed in lower extremity. The results from the study suggested that it would be benefit to include a variable, such as asymmetry, in slips and falls research.

  11. Coefficient of Friction of Human Corneal Tissue.

    Science.gov (United States)

    Wilson, Tawnya; Aeschlimann, Rudolf; Tosatti, Samuele; Toubouti, Youssef; Kakkassery, Joseph; Osborn Lorenz, Katherine

    2015-09-01

    A novel property evaluation methodology was used to determine the elusive value for the human corneal coefficient of friction (CoF). Using a microtribometer on 28 fresh human donor corneas with intact epithelia, the CoF was determined in 4 test solutions (≥5 corneas/solution): tear-mimicking solution (TMS) in borate-buffered saline (TMS-PS), TMS in phosphate-buffered saline (TMS-PBS), TMS with HEPES-buffered saline (TMS-HEPES), and tear-like fluid in PBS (TLF-PBS). Mean (SD) CoF values ranged from 0.006 to 0.015 and were 0.013 (0.010) in TMS-PS, 0.006 (0.003) in TMS-PBS, 0.014 (0.005) in TMS-HEPES, and 0.015 (0.009) in TLF-PBS. Statistically significant differences were shown for TMS-PBS versus TLF (P = 0.0424) and TMS-PBS versus TMS-HEPES (P = 0.0179), but not for TMS-PBS versus TMS-PS (P = 0.2389). Successful measurement of the fresh human corneal tissue CoF was demonstrated, with values differing in the evaluated buffer solutions, within this limited sample size.

  12. Volatilization: a soil degassing coefficient for iodine

    International Nuclear Information System (INIS)

    Sheppard, M.I.; Thibault, D.H.; Smith, P.A.; Hawkins, J.L.

    1994-01-01

    Iodine, an element essential to some animals, is ubiquitous in the biosphere. Unlike other metallic elements, molecular I is volatile, and other inorganic species present in aerated soils, such as I - and IO 3 - , may also volatilize as hydrides, hydrogen iodide (HI), or hydrogen iodates (HIO 3 , HIO 4 ). Methyl iodide has been measured in soils, and it is likely evolved from soils and plants. The long-lived radioisotope 129 I is abundant in nuclear wastes, and its high solubility in groundwater makes it an important element in the performance assessment of underground disposal facilities. Overestimates of soil I residence half-times by traditional foodchain models may be due to underestimation of volatilization. Field and lysimeter experiments over a 3-year period, and direct trapping experiments in the laboratory are reported. The results, combined with values from the literature, indicate the soil I degassing coefficient for a wide range of soil types, vegetated and bare, wet and dry, is lognormally distributed with a geometric mean of 2.1 x 10 -2 year -1 , a range of 1.8 x 10 -4 to 3.1 year -1 and a geometric standard deviation of 3.0. The results of a biosphere model simulation including degassing reduces soil I concentrations fivefold and increases air concentrations 25-fold at steady state, compared to simulations without degassing. (author)

  13. First-principles calculations of flexoelectric coefficients

    Science.gov (United States)

    Hong, Jiawang; Vanderbilt, David

    2013-03-01

    Flexoelectricity, which is the linear response of polarization to a strain gradient, can have a significant effect on the functional properties of dielectric thin films, superlattices and nanostructures. Despite growing experimental interest, there have been relatively few theoretical studies of flexoelectricity, especially in the context of first-principles calculations. In this talk, we present a complete theory of both the electronic (or ``frozen-ion'')[1] and lattice contributions to flexoelectricity, and demonstrate a supercell method for calculating the flexoelectric coefficients using first-principles density-functional methods. Results are presented for cubic materials including CsCl and SrTiO3. In order to obtain all the elements of the flexoelectric tensor, transverse as well as longitudinal, we carry out calculations on supercells extended along different orientations (e.g., [110] as well as [100]), taking special care to carry out conversions between objects calculated under fixed E or fixed D electric boundary conditions in different parts of the procedure. In this way, all the elements of both the electronic and lattice contributions to the flexoelectric tensor are determined.

  14. Automatic Subspace Learning via Principal Coefficients Embedding.

    Science.gov (United States)

    Peng, Xi; Lu, Jiwen; Yi, Zhang; Yan, Rui

    2017-11-01

    In this paper, we address two challenging problems in unsupervised subspace learning: 1) how to automatically identify the feature dimension of the learned subspace (i.e., automatic subspace learning) and 2) how to learn the underlying subspace in the presence of Gaussian noise (i.e., robust subspace learning). We show that these two problems can be simultaneously solved by proposing a new method [(called principal coefficients embedding (PCE)]. For a given data set , PCE recovers a clean data set from and simultaneously learns a global reconstruction relation of . By preserving into an -dimensional space, the proposed method obtains a projection matrix that can capture the latent manifold structure of , where is automatically determined by the rank of with theoretical guarantees. PCE has three advantages: 1) it can automatically determine the feature dimension even though data are sampled from a union of multiple linear subspaces in presence of the Gaussian noise; 2) although the objective function of PCE only considers the Gaussian noise, experimental results show that it is robust to the non-Gaussian noise (e.g., random pixel corruption) and real disguises; and 3) our method has a closed-form solution and can be calculated very fast. Extensive experimental results show the superiority of PCE on a range of databases with respect to the classification accuracy, robustness, and efficiency.

  15. Correlation and path coefficient analysis of some quantitative traits ...

    African Journals Online (AJOL)

    Thirty-seven wheat genotypes and three check varieties were studied for correlation and path coefficient analysis of some quantitative traits in wheat at Kisan (P.G), College, Simbhaoli in India. Generally, the estimates of genotypic correlation coefficients were higher than the corresponding phenotypic correlation coefficients ...

  16. Transfer coefficients in elliptical tubes and plate fin heat exchangers

    International Nuclear Information System (INIS)

    Saboya, S.M.

    1979-09-01

    Mean transfer coefficients in elliptical tubes and plate fin heat exchangers were determined by application of heat and mass transfer analogy in conjunction with the naphthalene sublimation technique. The transfer coefficients are presented in a dimensionless form as functions of the Reynolds number. By using the least squares method analytical expressions for the transfer coefficients were determined with low scattering. (E.G.) [pt

  17. On Estimation and Hypothesis Testing Problems for Correlation Coefficients

    Science.gov (United States)

    Kraemer, Helena Chmura

    1975-01-01

    A selection of statistical problems commonly encountered in psychological or psychiatric research concerning correlation coefficients are re-evaluated in the light of recently developed simplifications in the forms of the distribution theory of the intraclass correlation coefficient, of the product-moment correlation coefficient, and the Spearman…

  18. Systematic Risk on Istanbul Stock Exchange: Traditional Beta Coefficient Versus Downside Beta Coefficient

    Directory of Open Access Journals (Sweden)

    Gülfen TUNA

    2013-03-01

    Full Text Available The aim of this study is to test the validity of Downside Capital Asset Pricing Model (D-CAPM on the ISE. At the same time, the explanatory power of CAPM's traditional beta and D-CAPM's downside beta on the changes in the average return values are examined comparatively. In this context, the monthly data for seventy three stocks that are continuously traded on the ISE for the period 1991-2009 is used. Regression analysis is applied in this study. The research results have shown that D-CAPM is valid on the ISE. In addition, it is obtained that the power of downside beta coefficient is higher than traditional beta coefficient on explaining the return changes. Therefore, it can be said that the downside beta is superior to traditional beta in the ISE for chosen period.

  19. Coefficients Calculation in Pascal Approximation for Passive Filter Design

    Directory of Open Access Journals (Sweden)

    George B. Kasapoglu

    2018-02-01

    Full Text Available The recently modified Pascal function is further exploited in this paper in the design of passive analog filters. The Pascal approximation has non-equiripple magnitude, in contrast of the most well-known approximations, such as the Chebyshev approximation. A novelty of this work is the introduction of a precise method that calculates the coefficients of the Pascal function. Two examples are presented for the passive design to illustrate the advantages and the disadvantages of the Pascal approximation. Moreover, the values of the passive elements can be taken from tables, which are created to define the normalized values of these elements for the Pascal approximation, as Zverev had done for the Chebyshev, Elliptic, and other approximations. Although Pascal approximation can be implemented to both passive and active filter designs, a passive filter design is addressed in this paper, and the benefits and shortcomings of Pascal approximation are presented and discussed.

  20. Transfer coefficients for terrestrial foodchain: their derivation and limitations

    International Nuclear Information System (INIS)

    Ng, Y.C.; Colsher, C.S.; Thompson, S.E.

    1979-01-01

    Transfer coefficients to predict the passage of isotopes from the environment to terrestrial foods have been derived for various radionuclides of importance in the nuclear fuel cycle. These data update and extend previously recommended handbook values. We derive transfer coefficients to terrestrial foods and describe the systematics of the derived transfer coefficients. Suggestions are offered for changes in the values of transfer coefficients to terrestrial foods that now appear in federal regulatory guides. Deficiencies in our present knowledge concerning transfer coefficients and limitations in the use of these values to ensure compliance with radiation protection standards are discussed

  1. Aerosol hygroscopic growth parameterization based on a solute specific coefficient

    Science.gov (United States)

    Metzger, S.; Steil, B.; Xu, L.; Penner, J. E.; Lelieveld, J.

    2011-09-01

    Water is a main component of atmospheric aerosols and its amount depends on the particle chemical composition. We introduce a new parameterization for the aerosol hygroscopic growth factor (HGF), based on an empirical relation between water activity (aw) and solute molality (μs) through a single solute specific coefficient νi. Three main advantages are: (1) wide applicability, (2) simplicity and (3) analytical nature. (1) Our approach considers the Kelvin effect and covers ideal solutions at large relative humidity (RH), including CCN activation, as well as concentrated solutions with high ionic strength at low RH such as the relative humidity of deliquescence (RHD). (2) A single νi coefficient suffices to parameterize the HGF for a wide range of particle sizes, from nanometer nucleation mode to micrometer coarse mode particles. (3) In contrast to previous methods, our analytical aw parameterization depends not only on a linear correction factor for the solute molality, instead νi also appears in the exponent in form x · ax. According to our findings, νi can be assumed constant for the entire aw range (0-1). Thus, the νi based method is computationally efficient. In this work we focus on single solute solutions, where νi is pre-determined with the bisection method from our analytical equations using RHD measurements and the saturation molality μssat. The computed aerosol HGF and supersaturation (Köhler-theory) compare well with the results of the thermodynamic reference model E-AIM for the key compounds NaCl and (NH4)2SO4 relevant for CCN modeling and calibration studies. The equations introduced here provide the basis of our revised gas-liquid-solid partitioning model, i.e. version 4 of the EQuilibrium Simplified Aerosol Model (EQSAM4), described in a companion paper.

  2. Changes in Electrokinetic Coupling Coefficients of Granite under Triaxial Deformation

    Directory of Open Access Journals (Sweden)

    Osamu Kuwano

    2012-01-01

    Full Text Available Electrokinetic phenomena are believed to be the most likely origin of electromagnetic signals preceding or accompanying earthquakes. The intensity of the source current due to the electrokinetic phenomena is determined by the fluid flux and the electrokinetic coupling coefficient called streaming current coefficient; therefore, how the coefficient changes before rupture is essential. Here, we show how the electrokinetic coefficients change during the rock deformation experiment up to failure. The streaming current coefficient did not increase before failure, but continued to decrease up to failure, which is explained in terms of the elastic closure of capillary. On the other hand, the streaming potential coefficient, which is the product of the streaming current coefficient and bulk resistivity of the rock, increased at the onset of dilatancy. It may be due to change in bulk resistivity. Our result indicates that the zeta potential of the newly created surface does not change so much from that of the preexisting fluid rock interface.

  3. Determination of biokinetic coefficients for an adsorption/bio-oxidation process on municipal wastewater in pilot-scale

    Directory of Open Access Journals (Sweden)

    Mostafa Hadei

    2015-01-01

    Conclusions: All coefficients were in the range of activated sludge coefficients that are mentioned in the literature, except μmax and K S of B-stage. However, K S value of B-stage was close to the desired range. Sensitivity analysis showed that μmax and K S have the most influence on effluent substrate concentration (sCOD.

  4. Vapour pressures and osmotic coefficients of binary mixtures containing alcohol and pyrrolidinium-based ionic liquids

    International Nuclear Information System (INIS)

    Calvar, N.; Domínguez, Á.; Macedo, E.A.

    2013-01-01

    Highlights: • Osmotic coefficients of alcohols with pyrrolidinium ILs are determined. • Experimental data were correlated with extended Pitzer model of Archer and MNRTL. • Mean molal activity coefficients and excess Gibbs free energies were calculated. • The results have been interpreted in terms of interactions. -- Abstract: The osmotic and activity coefficients and vapour pressures of mixtures containing primary (1-propanol, 1-butanol and 1-pentanol) and secondary (2-propanol and 2-butanol) alcohols with pyrrolidinium-based ionic liquids (1-butyl-1-methyl pyrrolidinium bis(trifluoromethylsulfonyl)imide, C 4 MpyrNTf 2 , and 1-butyl-1-methyl pyrrolidinium trifluoromethanesulfonate, C 4 MpyrTFO) have been experimentally determined at T = 323.15 K. For the experimental measurements, the vapour pressure osmometry technique has been used. The results on the influence of the structure of the alcohol and of the anion of the ionic liquid on the determined properties have been discussed and compared with literature data. For the correlation of the osmotic coefficients obtained, the Extended Pitzer model of Archer and the Modified Non-Random Two Liquids model were applied. The mean molal activity coefficients and the excess Gibbs energy for the studied mixtures were calculated from the parameters obtained in the correlation

  5. Roughness coefficient and its uncertainty in gravel-bed river

    Directory of Open Access Journals (Sweden)

    Ji-Sung Kim

    2010-06-01

    Full Text Available Manning's roughness coefficient was estimated for a gravel-bed river reach using field measurements of water level and discharge, and the applicability of various methods used for estimation of the roughness coefficient was evaluated. Results show that the roughness coefficient tends to decrease with increasing discharge and water depth, and over a certain range it appears to remain constant. Comparison of roughness coefficients calculated by field measurement data with those estimated by other methods shows that, although the field-measured values provide approximate roughness coefficients for relatively large discharge, there seems to be rather high uncertainty due to the difference in resultant values. For this reason, uncertainty related to the roughness coefficient was analyzed in terms of change in computed variables. On average, a 20% increase of the roughness coefficient causes a 7% increase in the water depth and an 8% decrease in velocity, but there may be about a 15% increase in the water depth and an equivalent decrease in velocity for certain cross-sections in the study reach. Finally, the validity of estimated roughness coefficient based on field measurements was examined. A 10% error in discharge measurement may lead to more than 10% uncertainty in roughness coefficient estimation, but corresponding uncertainty in computed water depth and velocity is reduced to approximately 5%. Conversely, the necessity for roughness coefficient estimation by field measurement is confirmed.

  6. Effective dose conversion coefficients for radionuclides exponentially distributed in the ground

    International Nuclear Information System (INIS)

    Saito, Kimiaki; Ishigure, Nobuhito; Petoussi-Henss, Nina; Schlattl, Helmut

    2012-01-01

    In order to provide fundamental data required for dose evaluation due to environmental exposures, effective dose conversion coefficients, that is, the effective dose rate per unit activity per unit area, were calculated for a number of potentially important radionuclides, assuming an exponential distribution in ground, over a wide range of relaxation depths. The conversion coefficients were calculated for adults and a new-born baby on the basis of dosimetric methods that the authors and related researchers have previously developed, using Monte Carlo simulations and anthropomorphic computational phantoms. The differences in effective dose conversion coefficients due to body size between the adult and baby phantoms were found to lie within 50 %, for most cases; however, for some low energies, differences could amount to a factor of 3. The effective dose per unit source intensity per area was found to decrease by a factor of 2-5, for increasing relaxation depths from 0 to 5 g/cm 2 , above a source energy of 50 keV. It is also shown that implementation of the calculated coefficients into the computation of the tissue weighting factors and the adult reference computational phantoms of ICRP Publication 103 does not significantly influence the effective dose conversion coefficients of the environment. Consequently, the coefficients shown in this paper could be applied for the evaluation of effective doses, as defined according to both recommendations of ICRP Publications 103 and 60. (orig.)

  7. Effective dose conversion coefficients for radionuclides exponentially distributed in the ground

    Energy Technology Data Exchange (ETDEWEB)

    Saito, Kimiaki [Japan Atomic Energy Agency, Tokyo (Japan); Ishigure, Nobuhito [Nagoya University, Graduate School of Medicine, Nagoya City (Japan); Petoussi-Henss, Nina; Schlattl, Helmut [Helmholtz Zentrum Muenchen-German Research Center for Environmental Health, Department of Radiation Physics and Diagnostics, Neuherberg (Germany)

    2012-11-15

    In order to provide fundamental data required for dose evaluation due to environmental exposures, effective dose conversion coefficients, that is, the effective dose rate per unit activity per unit area, were calculated for a number of potentially important radionuclides, assuming an exponential distribution in ground, over a wide range of relaxation depths. The conversion coefficients were calculated for adults and a new-born baby on the basis of dosimetric methods that the authors and related researchers have previously developed, using Monte Carlo simulations and anthropomorphic computational phantoms. The differences in effective dose conversion coefficients due to body size between the adult and baby phantoms were found to lie within 50 %, for most cases; however, for some low energies, differences could amount to a factor of 3. The effective dose per unit source intensity per area was found to decrease by a factor of 2-5, for increasing relaxation depths from 0 to 5 g/cm{sup 2}, above a source energy of 50 keV. It is also shown that implementation of the calculated coefficients into the computation of the tissue weighting factors and the adult reference computational phantoms of ICRP Publication 103 does not significantly influence the effective dose conversion coefficients of the environment. Consequently, the coefficients shown in this paper could be applied for the evaluation of effective doses, as defined according to both recommendations of ICRP Publications 103 and 60. (orig.)

  8. Modified Regression Correlation Coefficient for Poisson Regression Model

    Science.gov (United States)

    Kaengthong, Nattacha; Domthong, Uthumporn

    2017-09-01

    This study gives attention to indicators in predictive power of the Generalized Linear Model (GLM) which are widely used; however, often having some restrictions. We are interested in regression correlation coefficient for a Poisson regression model. This is a measure of predictive power, and defined by the relationship between the dependent variable (Y) and the expected value of the dependent variable given the independent variables [E(Y|X)] for the Poisson regression model. The dependent variable is distributed as Poisson. The purpose of this research was modifying regression correlation coefficient for Poisson regression model. We also compare the proposed modified regression correlation coefficient with the traditional regression correlation coefficient in the case of two or more independent variables, and having multicollinearity in independent variables. The result shows that the proposed regression correlation coefficient is better than the traditional regression correlation coefficient based on Bias and the Root Mean Square Error (RMSE).

  9. Object detection by correlation coefficients using azimuthally averaged reference projections.

    Science.gov (United States)

    Nicholson, William V

    2004-11-01

    A method of computing correlation coefficients for object detection that takes advantage of using azimuthally averaged reference projections is described and compared with two alternative methods-computing a cross-correlation function or a local correlation coefficient versus the azimuthally averaged reference projections. Two examples of an application from structural biology involving the detection of projection views of biological macromolecules in electron micrographs are discussed. It is found that a novel approach to computing a local correlation coefficient versus azimuthally averaged reference projections, using a rotational correlation coefficient, outperforms using a cross-correlation function and a local correlation coefficient in object detection from simulated images with a range of levels of simulated additive noise. The three approaches perform similarly in detecting macromolecular views in electron microscope images of a globular macrolecular complex (the ribosome). The rotational correlation coefficient outperforms the other methods in detection of keyhole limpet hemocyanin macromolecular views in electron micrographs.

  10. Calibration of integral diffraction coefficients of TIAP crystal

    International Nuclear Information System (INIS)

    Gan Xinshi; China Academy of Engineering Physics, Mianyang; Yang Jiamin; Yi Rongqing; Zhang Jiyan; Zhao Yang; Zhao Yidong; Cui Mingqi; Deng Aihong

    2007-01-01

    The first, second and third order integral diffraction coefficients of TIAP crystal were calibrated at 4B7 X-ray source on Beijing synchrotron radiation facility with photon energy ranging from 2.1 keV to 6.0 keV. It is shown that the peak diffraction coefficients of the TIAP crystal are rather high. The first order integral diffraction coefficient tends to increase with the decreasing photon energy. But in the range of 2.6 keV to 5.4 keV, the integral diffraction coefficient is about 1.53 x 10 -4 rad. The diffraction coefficients decrease gradually as the diffraction order increases. The second order integral diffraction coefficient is only 1/4 of the first order, and the third order is about one magnitude lower than the first order. The calibrated TIAP crystal can be used to quantitatively analyze X-ray spectrum of laser-produced plasma. (authors)

  11. Osmotic second virial cross coefficients for star and linear polystyrenes

    International Nuclear Information System (INIS)

    Striolo, Alberto; Prausnitz, John M.

    2000-01-01

    Experimental osmotic second virial cross coefficients are reported for linear and 8-arm star polystyrenes in three solvents: toluene, cyclohexane, and methylcyclohexane. The osmotic second virial cross coefficient for 8-arm star and linear polystyrene is always positive and within the osmotic second virial coefficients measured for the single polymers. The positive cross coefficient indicates net repulsion between the two different polymers in dilute solution. The extent of repulsion is greatest in toluene and least in cyclohexane. To relate the macroscopic second virial coefficient to microscopic interactions, the potential of mean force between linear and 6-arm star polymers was computed by molecular simulation. The interaction between nonbonded polymer segments is given by a square-well potential. Well width was set equal to one half of the segment diameter. Different solvent conditions were investigated by using different well depths. Potentials of mean force were then used to compute the osmotic second virial cross coefficients. (c) 2000 American Institute of Physics

  12. Research on friction coefficient of nuclear Reactor Vessel Internals Hold Down Spring: Stress coefficient test analysis method

    International Nuclear Information System (INIS)

    Linjun, Xie; Guohong, Xue; Ming, Zhang

    2016-01-01

    Graphical abstract: HDS stress coefficient test apparatus. - Highlights: • This paper performs mathematic deduction to the physical model of Hold Down Spring (HDS), establishes a mathematic model of axial load P and stress, stress coefficient and friction coefficient and designs a set of test apparatuses for simulating the pretightening process of the HDS for the first time according to a model similarity criterion. • The mathematical relation between the load and the strain is obtained about the HDS, and the mathematical model of the stress coefficient and the friction coefficient is established. So, a set of test apparatuses for obtaining the stress coefficient is designed according to the model scaling criterion and the friction coefficient of the K1000 HDS is calculated to be 0.336 through the obtained stress coefficient. • The relation curve between the theoretical load and the friction coefficient is obtained through analysis and indicates that the change of the friction coefficient f would influence the pretightening load under the condition of designed stress. The necessary pretightening load in the design process is calculated to be 5469 kN according to the obtained friction coefficient. Therefore, the friction coefficient and the pretightening load under the design conditions can provide accurate pretightening data for the analysis and design of the reactor HDS according to the operations. - Abstract: This paper performs mathematic deduction to the physical model of Hold Down Spring (HDS), establishes a mathematic model of axial load P and stress, stress coefficient and friction coefficient and designs a set of test apparatuses for simulating the pretightening process of the HDS for the first time according to a model similarity criterion. By carrying out tests and researches through a stress testing technique, P–σ curves in loading and unloading processes of the HDS are obtained and the stress coefficient k f of the HDS is obtained. So, the

  13. Research on friction coefficient of nuclear Reactor Vessel Internals Hold Down Spring: Stress coefficient test analysis method

    Energy Technology Data Exchange (ETDEWEB)

    Linjun, Xie, E-mail: linjunx@zjut.edu.cn [College of Mechanical Engineering, Zhejiang University of Technology, Hangzhou 310014 (China); Guohong, Xue; Ming, Zhang [Shanghai Nuclear Engineering Research & Design Institute, Shanghai 200233 (China)

    2016-08-01

    Graphical abstract: HDS stress coefficient test apparatus. - Highlights: • This paper performs mathematic deduction to the physical model of Hold Down Spring (HDS), establishes a mathematic model of axial load P and stress, stress coefficient and friction coefficient and designs a set of test apparatuses for simulating the pretightening process of the HDS for the first time according to a model similarity criterion. • The mathematical relation between the load and the strain is obtained about the HDS, and the mathematical model of the stress coefficient and the friction coefficient is established. So, a set of test apparatuses for obtaining the stress coefficient is designed according to the model scaling criterion and the friction coefficient of the K1000 HDS is calculated to be 0.336 through the obtained stress coefficient. • The relation curve between the theoretical load and the friction coefficient is obtained through analysis and indicates that the change of the friction coefficient f would influence the pretightening load under the condition of designed stress. The necessary pretightening load in the design process is calculated to be 5469 kN according to the obtained friction coefficient. Therefore, the friction coefficient and the pretightening load under the design conditions can provide accurate pretightening data for the analysis and design of the reactor HDS according to the operations. - Abstract: This paper performs mathematic deduction to the physical model of Hold Down Spring (HDS), establishes a mathematic model of axial load P and stress, stress coefficient and friction coefficient and designs a set of test apparatuses for simulating the pretightening process of the HDS for the first time according to a model similarity criterion. By carrying out tests and researches through a stress testing technique, P–σ curves in loading and unloading processes of the HDS are obtained and the stress coefficient k{sub f} of the HDS is obtained. So, the

  14. Taylor coefficients and coefficient multipliers of Hardy and Bergman-type spaces

    CERN Document Server

    Jevtić, Miroljub; Arsenović, Miloš

    2016-01-01

    This book provides a systematic overview of the theory of Taylor coefficients of functions in some classical spaces of analytic functions and especially of the coefficient multipliers between spaces of Hardy type. Offering a comprehensive reference guide to the subject, it is the first of its kind in this area. After several introductory chapters covering the basic material, a large variety of results obtained over the past 80 years, including the most recent ones, are treated in detail. Several chapters end with discussions of practical applications and related topics that graduate students and experts in other subjects may find useful for their own purposes. Thus, a further aim of the book is to communicate to non-specialists some concrete facts that may be of value in their own work. The book can also be used as a textbook or a supplementary reference for an advanced graduate course. It is primarily intended for specialists in complex and functional analysis, graduate students, and experts in other related...

  15. On some properties of SU(3 fusion coefficients

    Directory of Open Access Journals (Sweden)

    Robert Coquereaux

    2016-11-01

    Full Text Available Three aspects of the SU(3 fusion coefficients are revisited: the generating polynomials of fusion coefficients are written explicitly; some curious identities generalizing the classical Freudenthal–de Vries formula are derived; and the properties of the fusion coefficients under conjugation of one of the factors, previously analyzed in the classical case, are extended to the affine algebra suˆ(3 at finite level.

  16. Coefficient of restitution of model repaired car body parts

    OpenAIRE

    D. Hadryś; M. Miros

    2008-01-01

    Purpose: The qualification of influence of model repaired car body parts on the value of coefficient of restitution and evaluation of impact energy absorption of model repaired car body parts.Design/methodology/approach: Investigation of plastic strain and coefficient of restitution of new and repaired model car body parts with using impact test machine for different impact energy.Findings: The results of investigations show that the value of coefficient of restitution changes with speed (ene...

  17. Clebsch-Gordan and Racah coefficients of SUpq(2)

    International Nuclear Information System (INIS)

    Kachurik, I.I.

    1993-01-01

    Explicit expressions for the Clebsch-Gordan coefficients and for the Racah coefficients of the two-parametric quantum algebra SU pq (2) are derived. They are given as finite sums and as terminating basic hypergeometric functions 3 φ 2 and 4 φ 3 . It is indicated how other expressions for these coefficients can be derived with the help of basic hypergeometric functions. (author). 11 refs

  18. Table for constructing the spin coefficients in general relativity

    International Nuclear Information System (INIS)

    Cocke, W.J.

    1989-01-01

    The spin coefficients in spinor calculus in Riemannian space-time are linear functions of the curls of the connecting quantities (the Infeld--Van der Waerden symbols). We show that in the Newman-Penrose formalism the expressions for the spin coefficients are quite manageable, if they are written in terms of the Newman-Penrose tetrad vectors. We present a table of the components of the spin coefficients explicitly in terms of the curls of the individual tetrad vectors

  19. On the Connection Coefficients of the Chebyshev-Boubaker Polynomials

    Directory of Open Access Journals (Sweden)

    Paul Barry

    2013-01-01

    Full Text Available The Chebyshev-Boubaker polynomials are the orthogonal polynomials whose coefficient arrays are defined by ordinary Riordan arrays. Examples include the Chebyshev polynomials of the second kind and the Boubaker polynomials. We study the connection coefficients of this class of orthogonal polynomials, indicating how Riordan array techniques can lead to closed-form expressions for these connection coefficients as well as recurrence relations that define them.

  20. DCFPAK: Dose coefficient data file package for Sandia National Laboratory

    Energy Technology Data Exchange (ETDEWEB)

    Eckerman, K.F.; Leggett, R.W.

    1996-07-31

    The FORTRAN-based computer package DCFPAK (Dose Coefficient File Package) has been developed to provide electronic access to the dose coefficient data files summarized in Federal Guidance Reports 11 and 12. DCFPAK also provides access to standard information regarding decay chains and assembles dose coefficients for all dosimetrically significant radioactive progeny of a specified radionuclide. DCFPAK was designed for application on a PC but, with minor modifications, may be implemented on a UNIX workstation.

  1. On the connection coefficients of the Chebyshev-Boubaker polynomials.

    Science.gov (United States)

    Barry, Paul

    2013-01-01

    The Chebyshev-Boubaker polynomials are the orthogonal polynomials whose coefficient arrays are defined by ordinary Riordan arrays. Examples include the Chebyshev polynomials of the second kind and the Boubaker polynomials. We study the connection coefficients of this class of orthogonal polynomials, indicating how Riordan array techniques can lead to closed-form expressions for these connection coefficients as well as recurrence relations that define them.

  2. Classification of coefficients of variation in experiments with commercial layers

    Directory of Open Access Journals (Sweden)

    DE Faria Filho

    2010-12-01

    Full Text Available This study aimed at determining a specific classification of coefficients of variation in experiments with commercial layers. Coefficients of variation were collected from papers published in Brazilian journals between 2000 and 2009 for performance, internal egg quality, and eggshell quality parameters. The coefficients of variation of each parameter were classified as low, intermediate, high, and very high according to the ratio between the median and the pseudo-sigma. It was concluded that the parameters used in experiments with commercial layers have a specific classification of coefficients of variation, and that this must be considered to evaluate experimental accuracy.

  3. Diffusion coefficient of three-dimensional Yukawa liquids

    Energy Technology Data Exchange (ETDEWEB)

    Dzhumagulova, K. N.; Ramazanov, T. S.; Masheeva, R. U. [IETP, Al Farabi Kazakh National University, 71, al Farabi ave., Almaty 050040 (Kazakhstan)

    2013-11-15

    The purpose of this work is an investigation of the diffusion coefficient of the dust component in complex plasma. The computer simulation of the Yukawa liquids was made on the basis of the Langevin equation, which takes into account the influence of buffer plasma on the dust particles dynamics. The Green–Kubo relation was used to calculate the diffusion coefficient. Calculations of the diffusion coefficient for a wide range of the system parameters were performed. Using obtained numerical data, we constructed the interpolation formula for the diffusion coefficient. We also show that the interpolation formula correctly describes experimental data obtained under microgravity conditions.

  4. Osmotic coefficients and apparent molar volumes of 1-hexyl-3-methylimidazolium trifluoromethanesulfonate ionic liquid in alcohols

    International Nuclear Information System (INIS)

    González, Emilio J.; Calvar, Noelia; Macedo, Eugénia A.

    2014-01-01

    Highlights: • Physical and osmotic properties of [HMim][TfO] in alcohols are reported. • Apparent molar properties and osmotic coefficients were obtained. • Apparent molar volumes were fitted using a Redlich–Meyer type equation. • The osmotic coefficients were modeled with the Extended Pitzer and the MNRTL models. -- Abstract: In this work, density for the binary mixtures of 1-hexyl-3-methylimidazolium trifluoromethanesulfonate in alcohols (1-propanol, or 2-propanol, or 1-butanol, or 2-butanol, or 1-pentanol) was measured at T = 323.15 K and atmospheric pressure. From this property, the corresponding apparent molar volumes were calculated and fitted to a Redlich–Meyer type equation. For these mixtures, the osmotic and activity coefficients, and vapor pressures of these binary systems were also determined at the same temperature using the vapor pressure osmometry technique. The experimental osmotic coefficients were modeled by the Extended Pitzer model of Archer. The parameters obtained in this correlation were used to calculate the mean molal activity coefficients and the excess Gibbs free energy for the studied mixtures

  5. Partition coefficients for alcohol tracers between nonaqueous-phase liquids and water from UNIFAC-solubility method

    Science.gov (United States)

    Wang, Peng; Dwarakanath, Varadarajan; Rouse, Bruce A.; Pope, Gary A.; Sepehrnoori, Kamy

    In this work, we have applied a group-contribution activity-coefficient model, UNIFAC, and the solubility of alcohols in water to estimate partition coefficients for alcohol tracers between water and nonaqueous-phase liquids (NAPLs). The effects of temperature and mutual solubility between NAPL and aqueous phases on the estimation of partition coefficients were also investigated. By comparing the estimated results with experimental partition coefficients for 30 alcohol tracers between 10 NAPLs and water, we found that: i) the UNIFAC-solubility method, in which the UNIFAC model in its infinite-dilution form is applied to the NAPL phase and the solubility of tracers in water is used for estimation of the activity coefficient in the aqueous phase, works better than the UNIFAC model; ii) a linear relation between the logarithm of partition coefficients and the logarithm of tracer solubility in water is observed for those tracers having a similar chemical structure (i.e. the same number of branched methyl groups). This can serve as a useful tool for quick selection of the tracers that exhibit the desired partition coefficients; iii) the effect of mutual solubility between NAPL and aqueous phases can be neglected because such miscibility is very small, usually of the order of 10 -3 mole/mole unit; and iv) temperature variation between 15° and 25°C does not significantly affect partition coefficients.

  6. Measurement of reactivity coefficients for code validation

    International Nuclear Information System (INIS)

    Nuding, Matthias; Loetsch, Thomas

    2005-01-01

    In the year 2003 measurements in the cold reactor state have been performed at the NPP KKI 2 in order to validate the codes that are used for reactor core calculations and especially for the proof of the shutdown margin that is produced by calculations only. For full power states code verification is quite easy because the calculations can be compared with different measured values, e.g. with the activation values determined by the aeroball system. For cold reactor states, however the data base is smaller, especially for reactor cores that are quite 'inhomogeneous' and have rather high Pu-fiss-and 235 U-contents. At the same time the cold reactor state is important regarding the shutdown margin. For these reasons the measurements mentioned above have been performed in order to check the accuracy of the codes that are used by the operator and by our organization for many years. Basically, boron concentrations and control rod worths for different configurations have been measured. The results of the calculation show a very good agreement with the measured values. Therefore, it can be stated that the operator's as well as our code system is suitable for routine use, e.g. during licensing procedures (Authors)

  7. Determination of gamma ray attenuation coefficients of Al–4% Cu ...

    Indian Academy of Sciences (India)

    Gamma ray attenuation coefficients of metal matrix composites have been investigated. For this purpose, the linear attenuation coefficients of composites containing boron carbide (B4C) at different rates have been measured using a gamma spectrometer that contains a NaI(Tl) detector and MCA at 662, 1173 and 1332 keV, ...

  8. Ventilation coefficient trends in the recent decades over four major ...

    Indian Academy of Sciences (India)

    A decreasing trend in ventilation coefficient is observed in all the four metros during the 30 years period indicating increasing pollution potential and a degradation in the air quality over these urban centers. In Delhi, the ventilation coefficient decreased at the rate of 49 and 32 m2/s/year in the months of December and ...

  9. Reflection and absorption coefficients for use in room acoustic simulations

    DEFF Research Database (Denmark)

    Jeong, Cheol-Ho

    2013-01-01

    Two ideas to improve the boundary conditions for room acoustic simulations are presented. First, all rooms have finite boundary surfaces, thereby a reflection coefficient for finite surfaces should be physically more suitable than that for infinitely large surfaces. Second, absorption coefficients...

  10. Minimum wall pressure coefficient of orifice plate energy dissipater

    Directory of Open Access Journals (Sweden)

    Wan-zheng Ai

    2015-01-01

    Full Text Available Orifice plate energy dissipaters have been successfully used in large-scale hydropower projects due to their simple structure, convenient construction procedure, and high energy dissipation ratio. The minimum wall pressure coefficient of an orifice plate can indirectly reflect its cavitation characteristics: the lower the minimum wall pressure coefficient is, the better the ability of the orifice plate to resist cavitation damage is. Thus, it is important to study the minimum wall pressure coefficient of the orifice plate. In this study, this coefficient and related parameters, such as the contraction ratio, defined as the ratio of the orifice plate diameter to the flood-discharging tunnel diameter; the relative thickness, defined as the ratio of the orifice plate thickness to the tunnel diameter; and the Reynolds number of the flow through the orifice plate, were theoretically analyzed, and their relationships were obtained through physical model experiments. It can be concluded that the minimum wall pressure coefficient is mainly dominated by the contraction ratio and relative thickness. The lower the contraction ratio and relative thickness are, the larger the minimum wall pressure coefficient is. The effects of the Reynolds number on the minimum wall pressure coefficient can be neglected when it is larger than 105. An empirical expression was presented to calculate the minimum wall pressure coefficient in this study.

  11. Permeability dependence of streaming potential coefficient in porous media

    NARCIS (Netherlands)

    Thanh, L.D.; Sprik, R.

    2015-01-01

    In theory, the streaming potential coefficient depends not only on the zeta potential but also on the permeability of the rocks that partially determines the surface conductivity of the rocks. However, in practice, it is hard to show the permeability dependence of streaming potential coefficients

  12. Micro- and macroscale coefficients of friction of cementitious materials

    International Nuclear Information System (INIS)

    Lomboy, Gilson; Sundararajan, Sriram; Wang, Kejin

    2013-01-01

    Millions of metric tons of cementitious materials are produced, transported and used in construction each year. The ease or difficulty of handling cementitious materials is greatly influenced by the material friction properties. In the present study, the coefficients of friction of cementitious materials were measured at the microscale and macroscale. The materials tested were commercially-available Portland cement, Class C fly ash, and ground granulated blast furnace slag. At the microscale, the coefficient of friction was determined from the interaction forces between cementitious particles using an Atomic Force Microscope. At the macroscale, the coefficient of friction was determined from stresses on bulk cementitious materials under direct shear. The study indicated that the microscale coefficient of friction ranged from 0.020 to 0.059, and the macroscale coefficient of friction ranged from 0.56 to 0.75. The fly ash studied had the highest microscale coefficient of friction and the lowest macroscale coefficient of friction. -- Highlights: •Microscale (interparticle) coefficient of friction (COF) was determined with AFM. •Macroscale (bulk) COF was measured under direct shear. •Fly ash had the highest microscale COF and the lowest macroscale COF. •Portland cement against GGBFS had the lowest microscale COF. •Portland cement against Portland cement had the highest macroscale COF

  13. A Note on the Correlated Random Coefficient Model

    DEFF Research Database (Denmark)

    Kolodziejczyk, Christophe

    In this note we derive the bias of the OLS estimator for a correlated random coefficient model with one random coefficient, but which is correlated with a binary variable. We provide set-identification to the parameters of interest of the model. We also show how to reduce the bias of the estimator...

  14. Mayer coefficients in two-dimensional Coulomb systems

    International Nuclear Information System (INIS)

    Speer, E.R.

    1986-01-01

    It is shown that, for neutral systems of particles of arbitrary charges in two dimensions, with hard cores, coefficients of the Mayer series for the pressure exist in the thermodynamic limit below certain thresholds in the temperature. The methods used here apply also to correlation functions and yield bounds on the asymptotic behavior of their Mayer coefficients

  15. The κ-Generalizations of Stirling Approximation and Multinominal Coefficients

    Directory of Open Access Journals (Sweden)

    Tatsuaki Wada

    2013-11-01

    Full Text Available Stirling approximation of the factorials and multinominal coefficients are generalized based on the κ-generalized functions introduced by Kaniadakis. We have related the κ-generalized multinominal coefficients to the κ-entropy by introducing a new κ-product operation, which exists only when κ ≠ 0.

  16. Estimating octanol/water partition coefficient for selected ferrocene ...

    African Journals Online (AJOL)

    Octanol/water partition coefficients P of several substituted ferrocene were calculated on the basis of the adaptation of the existing XlogPv2.0 approach. The predicted of calculated partition coefficients values of logP for selected ferrocene derivatives was compared with known experimental values taken from literature.

  17. Determination of gamma ray attenuation coefficients of Al–4% Cu ...

    Indian Academy of Sciences (India)

    Administrator

    Abstract. Gamma ray attenuation coefficients of metal matrix composites have been investigated. For this purpose, the linear attenuation coefficients of composites containing boron carbide (B4C) at different rates have been measured using a gamma spectrometer that contains a NaI(Tl) detector and MCA at 662, 1173 and.

  18. Graphical Solution of the Monic Quadratic Equation with Complex Coefficients

    Science.gov (United States)

    Laine, A. D.

    2015-01-01

    There are many geometrical approaches to the solution of the quadratic equation with real coefficients. In this article it is shown that the monic quadratic equation with complex coefficients can also be solved graphically, by the intersection of two hyperbolas; one hyperbola being derived from the real part of the quadratic equation and one from…

  19. Visualising the Roots of Quadratic Equations with Complex Coefficients

    Science.gov (United States)

    Bardell, Nicholas S.

    2014-01-01

    This paper is a natural extension of the root visualisation techniques first presented by Bardell (2012) for quadratic equations with real coefficients. Consideration is now given to the familiar quadratic equation "y = ax[superscript 2] + bx + c" in which the coefficients "a," "b," "c" are generally…

  20. Predicting blood:air partition coefficients using basic physicochemical properties

    NARCIS (Netherlands)

    Buist, H.E.; Wit-Bos, L. de; Bouwman, T.; Vaes, W.H.J.

    2012-01-01

    Quantitative Property Property Relationships (QPPRs) for human and rat blood:air partition coefficients (PBAs) have been derived, based on vapour pressure (Log(VP)), the octanol:water partition coefficient (Log(K_OW)) and molecular weight (MW), using partial least squares multilinear modelling.

  1. Molar extinction coefficients of solutions of some organic compounds

    Indian Academy of Sciences (India)

    The experimental determination of molar extinction coefficients of materials of com- mon use and of biological .... arrangement, error caused by deviation in thickness was reduced to a minimum by taking average value of ... Using the present experimental data of mass attenuation coefficients of solutions and of H, C and O at ...

  2. Confidence bounds for normal and lognormal distribution coefficients of variation

    Science.gov (United States)

    Steve Verrill

    2003-01-01

    This paper compares the so-called exact approach for obtaining confidence intervals on normal distribution coefficients of variation to approximate methods. Approximate approaches were found to perform less well than the exact approach for large coefficients of variation and small sample sizes. Web-based computer programs are described for calculating confidence...

  3. Xenon tissue/blood partition coefficient for pig urinary bladder

    DEFF Research Database (Denmark)

    Nielsen, K K; Bülow, J; Nielsen, S L

    1990-01-01

    In four landrace pigs the tissue/blood partition coefficient (lambda) for xenon (Xe) for the urinary bladder was calculated after chemical analysis for lipid, water and protein content and determination of the haematocrit. The coefficients varied from bladder to bladder owing to small differences...

  4. Hydrodynamic Coefficients Identification and Experimental Investigation for an Underwater Vehicle

    Directory of Open Access Journals (Sweden)

    Shaorong XIE

    2014-02-01

    Full Text Available Hydrodynamic coefficients are the foundation of unmanned underwater vehicles modeling and controller design. In order to reduce identification complexity and acquire necessary hydrodynamic coefficients for controllers design, the motion of the unmanned underwater vehicle was separated into vertical motion and horizontal motion models. Hydrodynamic coefficients were regarded as mapping parameters from input forces and moments to output velocities and acceleration of the unmanned underwater vehicle. The motion models of the unmanned underwater vehicle were nonlinear and Genetic Algorithm was adopted to identify those hydrodynamic coefficients. To verify the identification quality, velocities and acceleration of the unmanned underwater vehicle was measured using inertial sensor under the same conditions as Genetic Algorithm identification. Curves similarity between measured velocities and acceleration and those identified by Genetic Algorithm were used as optimizing standard. It is found that the curves similarity were high and identified hydrodynamic coefficients of the unmanned underwater vehicle satisfied the measured motion states well.

  5. Theoretical investigation of the extinction coefficient of magnetic fluid

    Energy Technology Data Exchange (ETDEWEB)

    Fang Xiaopeng; Xuan Yimin, E-mail: ymxuan@mail.njust.edu.cn; Li Qiang [Nanjing University of Science and Technology, School of Energy and Power Engineering (China)

    2013-05-15

    A new theoretical approach for calculating the extinction coefficient of magnetic fluid is proposed, which is based on molecular dynamics (MD) simulation and T-matrix method. By means of this approach, the influence of particle diameter, particle volume fraction, and external magnetic filed on the extinction coefficient of magnetic fluid is investigated. The results show that the extinction coefficient of the magnetic fluid linearly increases with increase in the particle volume fraction. For a given particle volume fraction, the extinction coefficient increases with increase in the particle diameter which varies from 5 to 20 nm. When a uniform external magnetic filed is applied to the magnetic fluid, the extinction coefficient of the magnetic fluid presents an anisotropic feature. These results agree well with the reported experimental results. The proposed approach is applicable to investigating the optical properties of magnetic fluids.

  6. Influence of effective stress coefficient on mechanical failure of chalk

    DEFF Research Database (Denmark)

    Alam, Mohammad Monzurul; Fabricius, Ida Lykke; Hjuler, M.L.

    2012-01-01

    and vice versa. However, as the effective stress working on the rock decreases with increased effective stress coefficient, the reduction of elastic region will have less effect on pore collapse strength if we consider the change in the effective stress coefficient. This finding will help estimate a more......The Effective stress coefficient is a measure of how chalk grains are connected with each other. The stiffness of chalk may decrease if the amount of contact cements between the grains decreases, which may lead to an increase of the effective stress coefficient. We performed CO2 injection in chalk......, as this process could affect the grain contact cement. If this happens, the effective stress at the grain contacts in a reservoir will change according to the effective stress principle of Biot. In a p′-q space for failure analysis, we observed that a higher effective stress coefficient reduces the elastic region...

  7. Calculation of effective absorption coefficient for aerosols of internal mixture

    International Nuclear Information System (INIS)

    Xu Bo; Huang Yinbo; Fan Chengyu; Qiao Chunhong

    2012-01-01

    The effective absorption coefficient with time of strong absorbing aerosol made of carbon dusts and water of internal mixture is analyzed, and the influence of different wavelengths and radius ratios on it is discussed. The shorter the wavelength is, the larger the effective absorption coefficient is , and more quickly it increases during 1-100 μs, and the largest increase if 132.65% during 1-100 μs. Different ratios between inner and outer radius have large influence on the effective absorption coefficient. The larger the ratio is, the larger the effective absorption coefficient is, and more quickly it increases during 1-100 μs. The increase of the effective absorption coefficient during 1-100 μs is larger than that during 100-1000 μs, and the largest increase is 138.66% during 1-100 μs. (authors)

  8. The Discharge Coefficient of a Centre-Pivot Roof Window

    DEFF Research Database (Denmark)

    Iqbal, Ahsan; Afshari, Alireza; Nielsen, Peter V.

    2012-01-01

    Accuracy in estimation of airflow through windows is the key parameter for modelling and designing of naturally ventilated buildings. The flow through windows is usually described by the orifice flow plate equation. This equation involves the discharge coefficient. In practice, often a constant...... value of discharge coefficient is used. The constant value of discharge coefficient leads to deceptive airflow estimation in the cases of centre-pivot roof windows. The object of this paper is to study and evaluate the discharge coefficient of the centre pivot roof window. Focus is given...... on unidirectional flows i.e. inflow and outflow. CFD techniques are used to predict the airflow through the modelled window. Analytical orifice flow equation is used to calculate the discharge coefficient. Results are compared with experimental results. It is concluded that the single value of the discharge...

  9. Riesz frames and approximation of the frame coefficients

    DEFF Research Database (Denmark)

    Casazza, P.; Christensen, Ole

    1998-01-01

    A frame is a fmaily {f i } i=1 ∞ of elements in a Hilbert space with the property that every element in can be written as a (infinite) linear combination of the frame elements. Frame theory describes how one can choose the corresponding coefficients, which are called frame coefficients. From...... the mathematical point of view this is gratifying, but for applications it is a problem that the calculation requires inversion of an operator on . The projection method is introduced in order to avoid this problem. The basic idea is to consider finite subfamilies {f i } i=1 n of the frame and the orthogonal...... projection Pn onto its span. For has a representation as a linear combination of fi, i=1,2,..., n and the corresponding coefficients can be calculated using finite dimensional methods. We find conditions implying that those coefficients converge to the correct frame coefficients as n→∞, in which case we have...

  10. Determination and reliability of dose coefficients for radiopharmaceuticals; Ermittlung der Zuverlaessigkeit von Dosiskoeffizienten fuer Radiopharmaka

    Energy Technology Data Exchange (ETDEWEB)

    Spielmann, V.; Li, W.B.; Zankl, M.; Oeh, U.

    2015-11-15

    The dose coefficients used in nuclear medicine for dose calculations of radiopharmaceuticals are based on recommendations by ICRP (International Commission on radiological protection) and the MIRD (Medical Internal Radiation Dose Committee) using mathematical models for the temporal activity distributions in organs and tissues (biokinetic models) and mathematical models of the human body. These models using an idealized human body do not include uncertainty estimations. The research project is aimed to determine the uncertainties and thus the reliability of the dose coefficients for radiopharmaceuticals and to identify the biokinetic and dosimetric parameters that contribute most of the uncertainties.

  11. Coefficients of distribution and accumulation of K, Rb, Cs and 137Cs in the intensive poultry breeding cycle

    International Nuclear Information System (INIS)

    Djuric, G.; Ajdacic, N.; Institut za Nuklearne Nauke Boris Kidric, Belgrade

    1984-01-01

    The concentration of K,Rb,Cs and the activity level of Cs-137 in samples from the intensive poultry breeding cycle (feed, meat, eggs), under the condition of chronic alimentary contamination is presented. Concentrations of Cs and Rb were determined by non-destructive neutron activation analysis, concentration of K by atomic absorption flame photometry and activity of Cs-137 by gamma spectrometric analysis. On the basis of these results, coefficients of distribution and accumulation were calculated. The distribution coefficients of the analysed stable isotopes in meat have values close to 1, whereas for various parts of egg these coefficients vary between 0.5 and 1.5. Significant differences in Cs-137 distribution in various parts of egg were established. The values of accumulation coefficients indicate that all analysed elements selectively accumulate in the meat of young birds (broilers), and Cs-137 accumulates in the egg white as well. (orig.)

  12. Determination of the concentration dependent diffusion coefficient of nitrogen in expanded austenite

    DEFF Research Database (Denmark)

    Christiansen, Thomas; Somers, Marcel A. J.

    2008-01-01

    in the composition range where nitrogen can be extracted by hydrogen gas at the diffusion temperature. Numerical simulation of the denitriding experiments shows that the thus determined concentration dependent diffusion coefficients are an accurate approximation of the actual diffusivity of nitrogen in expanded......The concentration dependent diffusion coefficient of nitrogen in expanded austenite was determined from of the rate of retracting nitrogen from thin initially N-saturated coupons. Nitrogen saturated homogeneous foils of expanded austenite were obtained by nitriding AISI 304 and AISI 316 in pure...... ammonia at 693 K and 718 K. Denitriding experiments were performed by equilibrating the foils with a successively lower nitrogen activity, as imposed by a gas mixture of ammonia and hydrogen. The concentration dependent diffusion coefficient of nitrogen in expanded austenite was approximated...

  13. Automatic estimation of pressure-dependent rate coefficients

    KAUST Repository

    Allen, Joshua W.

    2012-01-01

    A general framework is presented for accurately and efficiently estimating the phenomenological pressure-dependent rate coefficients for reaction networks of arbitrary size and complexity using only high-pressure-limit information. Two aspects of this framework are discussed in detail. First, two methods of estimating the density of states of the species in the network are presented, including a new method based on characteristic functional group frequencies. Second, three methods of simplifying the full master equation model of the network to a single set of phenomenological rates are discussed, including a new method based on the reservoir state and pseudo-steady state approximations. Both sets of methods are evaluated in the context of the chemically-activated reaction of acetyl with oxygen. All three simplifications of the master equation are usually accurate, but each fails in certain situations, which are discussed. The new methods usually provide good accuracy at a computational cost appropriate for automated reaction mechanism generation. This journal is © the Owner Societies.

  14. A hierarchical estimator development for estimation of tire-road friction coefficient.

    Science.gov (United States)

    Zhang, Xudong; Göhlich, Dietmar

    2017-01-01

    The effect of vehicle active safety systems is subject to the friction force arising from the contact of tires and the road surface. Therefore, an adequate knowledge of the tire-road friction coefficient is of great importance to achieve a good performance of these control systems. This paper presents a tire-road friction coefficient estimation method for an advanced vehicle configuration, four-motorized-wheel electric vehicles, in which the longitudinal tire force is easily obtained. A hierarchical structure is adopted for the proposed estimation design. An upper estimator is developed based on unscented Kalman filter to estimate vehicle state information, while a hybrid estimation method is applied as the lower estimator to identify the tire-road friction coefficient using general regression neural network (GRNN) and Bayes' theorem. GRNN aims at detecting road friction coefficient under small excitations, which are the most common situations in daily driving. GRNN is able to accurately create a mapping from input parameters to the friction coefficient, avoiding storing an entire complex tire model. As for large excitations, the estimation algorithm is based on Bayes' theorem and a simplified "magic formula" tire model. The integrated estimation method is established by the combination of the above-mentioned estimators. Finally, the simulations based on a high-fidelity CarSim vehicle model are carried out on different road surfaces and driving maneuvers to verify the effectiveness of the proposed estimation method.

  15. Development and assessment of atomistic models for predicting static friction coefficients

    Science.gov (United States)

    Jahangiri, Soran; Heverly-Coulson, Gavin S.; Mosey, Nicholas J.

    2016-08-01

    The friction coefficient relates friction forces to normal loads and plays a key role in fundamental and applied areas of science and technology. Despite its importance, the relationship between the friction coefficient and the properties of the materials forming a sliding contact is poorly understood. We illustrate how simple relationships regarding the changes in energy that occur during slip can be used to develop a quantitative model relating the friction coefficient to atomic-level features of the contact. The slip event is considered as an activated process and the load dependence of the slip energy barrier is approximated with a Taylor series expansion of the corresponding energies with respect to load. The resulting expression for the load-dependent slip energy barrier is incorporated in the Prandtl-Tomlinson (PT) model and a shear-based model to obtain expressions for friction coefficient. The results indicate that the shear-based model reproduces the static friction coefficients μs obtained from first-principles molecular dynamics simulations more accurately than the PT model. The ability of the model to provide atomistic explanations for differences in μs amongst different contacts is also illustrated. As a whole, the model is able to account for fundamental atomic-level features of μs, explain the differences in μs for different materials based on their properties, and might be also used in guiding the development of contacts with desired values of μs.

  16. A hierarchical estimator development for estimation of tire-road friction coefficient.

    Directory of Open Access Journals (Sweden)

    Xudong Zhang

    Full Text Available The effect of vehicle active safety systems is subject to the friction force arising from the contact of tires and the road surface. Therefore, an adequate knowledge of the tire-road friction coefficient is of great importance to achieve a good performance of these control systems. This paper presents a tire-road friction coefficient estimation method for an advanced vehicle configuration, four-motorized-wheel electric vehicles, in which the longitudinal tire force is easily obtained. A hierarchical structure is adopted for the proposed estimation design. An upper estimator is developed based on unscented Kalman filter to estimate vehicle state information, while a hybrid estimation method is applied as the lower estimator to identify the tire-road friction coefficient using general regression neural network (GRNN and Bayes' theorem. GRNN aims at detecting road friction coefficient under small excitations, which are the most common situations in daily driving. GRNN is able to accurately create a mapping from input parameters to the friction coefficient, avoiding storing an entire complex tire model. As for large excitations, the estimation algorithm is based on Bayes' theorem and a simplified "magic formula" tire model. The integrated estimation method is established by the combination of the above-mentioned estimators. Finally, the simulations based on a high-fidelity CarSim vehicle model are carried out on different road surfaces and driving maneuvers to verify the effectiveness of the proposed estimation method.

  17. Approximate reflection coefficients for a thin VTI layer

    KAUST Repository

    Hao, Qi

    2017-09-18

    We present an approximate method to derive simple expressions for the reflection coefficients of P- and SV-waves for a thin transversely isotropic layer with a vertical symmetry axis (VTI) embedded in a homogeneous VTI background. The layer thickness is assumed to be much smaller than the wavelengths of P- and SV-waves inside. The exact reflection and transmission coefficients are derived by the propagator matrix method. In the case of normal incidence, the exact reflection and transmission coefficients are expressed in terms of the impedances of vertically propagating P- and S-waves. For subcritical incidence, the approximate reflection coefficients are expressed in terms of the contrast in the VTI parameters between the layer and the background. Numerical examples are designed to analyze the reflection coefficients at normal and oblique incidence, and investigate the influence of transverse isotropy on the reflection coefficients. Despite giving numerical errors, the approximate formulae are sufficiently simple to qualitatively analyze the variation of the reflection coefficients with the angle of incidence.

  18. Sorption Coefficients for Iodine, Silver, and Cesium on Dust Particles

    International Nuclear Information System (INIS)

    Stempniewicz, M.M.; Goede, P.

    2014-01-01

    This paper describes the work performed to find relevant experimental data and find the sorption coefficients that represent well the available data for cesium, iodine, and silver on dust particles. The purpose of this work is to generate a set of coefficients that may be recommended for the computer code users. The work was performed using the computer code SPECTRA. Calculations were performed for the following data: • I-131 on AVR dust; • Ag-110m on AVR dust; • Cs-13 and Cs-137 on AVR dust. Available data was matched using the SPECTRA Sorption Model. S = A(T) · C V -B(T) · C d . The results are summarized as follows: • The available data can be correlated. The data scatter is about 4 orders of magnitude. Therefore the coefficients of the Langmuir isotherms vary by 4 orders of magnitude. • Sorption rates are higher at low temperatures and lower at high temperatures. This tendency has been observed in the data compiled at Oak Ridge. It is therefore surmised that the highest value of the sorption coefficients are appropriate for the low temperatures and the lowest value of the sorption coefficients are appropriate for the high temperatures. The recommended sorption coefficients are presented in this paper. • The present set of coefficients is very rough and should be a subject for future verification against experimental data. (author)

  19. DCCA cross-correlation coefficients reveals the change of both synchronization and oscillation in EEG of Alzheimer disease patients

    Science.gov (United States)

    Chen, Yingyuan; Cai, Lihui; Wang, Ruofan; Song, Zhenxi; Deng, Bin; Wang, Jiang; Yu, Haitao

    2018-01-01

    Alzheimer's disease (AD) is a degenerative disorder of neural system that affects mainly the older population. Recently, many researches show that the EEG of AD patients can be characterized by EEG slowing, enhanced complexity of the EEG signals, and EEG synchrony. In order to examine the neural synchrony at multi scales, and to find a biomarker that help detecting AD in diagnosis, detrended cross-correlation analysis (DCCA) of EEG signals is applied in this paper. Several parameters, namely DCCA coefficients in the whole brain, DCCA coefficients at a specific scale, maximum DCCA coefficient over the span of all time scales and the corresponding scale of such coefficients, were extracted to examine the synchronization, respectively. The results show that DCCA coefficients have a trend of increase as scale increases, and decreases as electrode distance increases. Comparing DCCA coefficients in AD patients with healthy controls, a decrease of synchronization in the whole brain, and a bigger scale corresponding to maximum correlation is discovered in AD patients. The change of max-correlation scale may relate to the slowing of oscillatory activities. Linear combination of max DCCA coefficient and max-correlation scale reaches a classification accuracy of 90%. From the above results, it is reasonable to conclude that DCCA coefficient reveals the change of both oscillation and synchrony in AD, and thus is a powerful tool to differentiate AD patients from healthy elderly individuals.

  20. Measurement of chemical diffusion coefficients in liquid binary alloys

    International Nuclear Information System (INIS)

    Keita, M.; Steinemann, S.; Kuenzi, H.U.

    1976-01-01

    New measurements of the chemical diffusion coefficient in liquid binary alloys are presented. The wellknown geometry of the 'capillary-reservoir' is used and the concentration is obtained from a resistivity measurement. The method allows to follow continuously the diffusion process in the liquid state. A precision of at least 10% in the diffusion coefficient is obtained with a reproductibility better than 5%. The systems Hg-In, Al-Sn, Al-Si have been studied. Diffusion coefficients are obtained as a function of temperature, concentration, and geometrical factors related to the capillary (diameter, relative orientation of density gradient and gravity). (orig.) [de

  1. Identification of aerodynamic coefficients using computational neural networks

    Science.gov (United States)

    Linse, Dennis J.; Stengel, Robert F.

    1992-01-01

    Precise, smooth aerodynamic models are required for implementing adaptive, nonlinear control strategies. Accurate representations of aerodynamic coefficients can be generated for the complete flight envelope by combining computational neural network models with an Estimation-Before-Modeling paradigm for on-line training information. A novel method of incorporating first-partial-derivative information is employed to estimate the weights in individual feedforward neural networks for each aerodynamic coefficient. The method is demonstrated by generating a model of the normal force coefficient of a twin-jet transport aircraft from simulated flight data, and promising results are obtained.

  2. Non-linear Bayesian update of PCE coefficients

    KAUST Repository

    Litvinenko, Alexander

    2014-01-06

    Given: a physical system modeled by a PDE or ODE with uncertain coefficient q(?), a measurement operator Y (u(q), q), where u(q, ?) uncertain solution. Aim: to identify q(?). The mapping from parameters to observations is usually not invertible, hence this inverse identification problem is generally ill-posed. To identify q(!) we derived non-linear Bayesian update from the variational problem associated with conditional expectation. To reduce cost of the Bayesian update we offer a unctional approximation, e.g. polynomial chaos expansion (PCE). New: We apply Bayesian update to the PCE coefficients of the random coefficient q(?) (not to the probability density function of q).

  3. Robust Stabilization of Nonlinear Systems with Uncertain Varying Control Coefficient

    Directory of Open Access Journals (Sweden)

    Zaiyue Yang

    2014-01-01

    Full Text Available This paper investigates the stabilization problem for a class of nonlinear systems, whose control coefficient is uncertain and varies continuously in value and sign. The study emphasizes the development of a robust control that consists of a modified Nussbaum function to tackle the uncertain varying control coefficient. By such a method, the finite-time escape phenomenon has been prevented when the control coefficient is crossing zero and varying its sign. The proposed control guarantees the asymptotic stabilization of the system and boundedness of all closed-loop signals. The control performance is illustrated by a numerical simulation.

  4. Influence of effective stress coefficient on mechanical failure of chalk

    DEFF Research Database (Denmark)

    Alam, Mohammad Monzurul; Fabricius, Ida Lykke; Hjuler, M.L.

    2012-01-01

    , as this process could affect the grain contact cement. If this happens, the effective stress at the grain contacts in a reservoir will change according to the effective stress principle of Biot. In a p′-q space for failure analysis, we observed that a higher effective stress coefficient reduces the elastic region...... and vice versa. However, as the effective stress working on the rock decreases with increased effective stress coefficient, the reduction of elastic region will have less effect on pore collapse strength if we consider the change in the effective stress coefficient. This finding will help estimate a more...

  5. Questionnaire on the measurement condition of distribution coefficient

    Energy Technology Data Exchange (ETDEWEB)

    Takebe, Shinichi; Kimura, Hideo; Matsuzuru, Hideo [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment] [and others

    2001-05-01

    The distribution coefficient is used for various transport models to evaluate the migration behavior of radionuclides in the environment and is very important parameter in environmental impact assessment of nuclear facility. The questionnaire was carried out for the purpose of utilizing for the proposal of the standard measuring method of distribution coefficient. This report is summarized the result of questionnairing on the sampling methods and storage condition, the pretreatment methods, the analysis items in the physical/chemical characteristics of the sample, and the distribution coefficient measuring method and the measurement conditions in the research institutes within country. (author)

  6. Determination of BEACON Coupling Coefficients using data from Xenon transient

    International Nuclear Information System (INIS)

    Bozic, M.; Kurincic, B.

    2007-01-01

    NEK uses BEACO TM code (BEACO TM - Westinghouse Best Estimate Analyzer for Core Operating Nuclear) for core monitoring, analysis and core behaviour prediction. Coupling Coefficients determine relationship between core response and excore instrumentation. Measured power distribution using incore moveable detectors during Xenon transient with sufficient power axial offset change is the most important data for further analysis. Classic methodology and BEACO TM Conservative methodology using established Coupling Coefficients are compared on NPP Krsko case. BEACON TM Conservative methodology with predefined Coupling Coefficients is used as a surveillance tool for verification of relationship between core and excore instrumentation during power operation. (author)

  7. Restricted mass energy absorption coefficients for use in dosimetry

    International Nuclear Information System (INIS)

    Brahme, A.

    1977-02-01

    When matter is irradiated by a photon beam the fraction of energy absorbed locally in some region Rsub(Δ) (where the size of the region Rsub(Δ) is related to the range of secondary electrons of some restriction energy Δ) is expressed by the restricted mass energy absorption coefficient. In this paper an example is given of how restricted mass energy absorption coefficients can be calculated from existing differential photon interaction cross sections. Some applications of restricted mass absorption coefficients in dosimetry are also given. (B.D.)

  8. Optimality Conditions for Fuzzy Number Quadratic Programming with Fuzzy Coefficients

    Directory of Open Access Journals (Sweden)

    Xue-Gang Zhou

    2014-01-01

    Full Text Available The purpose of the present paper is to investigate optimality conditions and duality theory in fuzzy number quadratic programming (FNQP in which the objective function is fuzzy quadratic function with fuzzy number coefficients and the constraint set is fuzzy linear functions with fuzzy number coefficients. Firstly, the equivalent quadratic programming of FNQP is presented by utilizing a linear ranking function and the dual of fuzzy number quadratic programming primal problems is introduced. Secondly, we present optimality conditions for fuzzy number quadratic programming. We then prove several duality results for fuzzy number quadratic programming problems with fuzzy coefficients.

  9. A data-drive analysis for heavy quark diffusion coefficient

    Science.gov (United States)

    Xu, Yingru; Nahrgang, Marlene; Cao, Shanshan; Bernhard, Jonah E.; Bass, Steffen A.

    2018-02-01

    We apply a Bayesian model-to-data analysis on an improved Langevin framework to estimate the temperature and momentum dependence of the heavy quark diffusion coefficient in the quark-gluon plasma (QGP). The spatial diffusion coefficient is found to have a minimum around 1-3 near Tc in the zero momentum limit, and has a non-trivial momentum dependence. With the estimated diffusion coefficient, our improved Langevin model is able to simultaneously describe the D-meson RAA and v2 in three different systems at RHIC and the LHC.

  10. Accounting for Missing Correlation Coefficients in Fixed-Effects MASEM.

    Science.gov (United States)

    Jak, Suzanne; Cheung, Mike W-L

    2018-01-01

    Meta-analytic structural equation modeling (MASEM) is increasingly applied to advance theories by synthesizing existing findings. MASEM essentially consists of two stages. In Stage 1, a pooled correlation matrix is estimated based on the reported correlation coefficients in the individual studies. In Stage 2, a structural model (such as a path model) is fitted to explain the pooled correlations. Frequently, the individual studies do not provide all the correlation coefficients between the research variables. In this study, we modify the currently optimal MASEM-method to deal with missing correlation coefficients, and compare its performance with existing methods. This study is the first to evaluate the performance of fixed-effects MASEM methods under different levels of missing correlation coefficients. We found that the often used univariate methods performed very poorly, while the multivariate methods performed well overall.

  11. Using two coefficients modeling of nonsubsampled Shearlet transform for despeckling

    Science.gov (United States)

    Jafari, Saeed; Ghofrani, Sedigheh

    2016-01-01

    Synthetic aperture radar (SAR) images are inherently affected by multiplicative speckle noise. Two approaches based on modeling the nonsubsampled Shearlet transform (NSST) coefficients are presented. Two-sided generalized Gamma distribution and normal inverse Gaussian probability density function have been used to model the statistics of NSST coefficients. Bayesian maximum a posteriori estimator is applied to the corrupted NSST coefficients in order to estimate the noise-free NSST coefficients. Finally, experimental results, according to objective and subjective criteria, carried out on both artificially speckled images and the true SAR images, demonstrate that the proposed methods outperform other state of art references via two points of view, speckle noise reduction and image quality preservation.

  12. Research on the Fault Coefficient in Complex Electrical Engineering

    Directory of Open Access Journals (Sweden)

    Yi Sun

    2015-08-01

    Full Text Available Fault detection and isolation in a complex system are research hotspots and frontier problems in the reliability engineering field. Fault identification can be regarded as a procedure of excavating key characteristics from massive failure data, then classifying and identifying fault samples. In this paper, based on the fundamental of feature extraction about the fault coefficient, we will discuss the fault coefficient feature in complex electrical engineering in detail. For general fault types in a complex power system, even if there is a strong white Gaussian stochastic interference, the fault coefficient feature is still accurate and reliable. The results about comparative analysis of noise influence will also demonstrate the strong anti-interference ability and great redundancy of the fault coefficient feature in complex electrical engineering.

  13. Measurement of Dynamic Friction Coefficient on the Irregular Free Surface

    International Nuclear Information System (INIS)

    Yeom, S. H.; Seo, K. S.; Lee, J. H.; Lee, K. H.

    2007-01-01

    A spent fuel storage cask must be estimated for a structural integrity when an earthquake occurs because it freely stands on ground surface without a restriction condition. Usually the integrity estimation for a seismic load is performed by a FEM analysis, the friction coefficient for a standing surface is an important parameter in seismic analysis when a sliding happens. When a storage cask is placed on an irregular ground surface, measuring a friction coefficient of an irregular surface is very difficult because the friction coefficient is affected by the surface condition. In this research, dynamic friction coefficients on the irregular surfaces between a concrete cylinder block and a flat concrete slab are measured with two methods by one direction actuator

  14. Heat unit-based crop coefficient for grapefruit trees

    International Nuclear Information System (INIS)

    Martin, E.C.; Hla, A.K.; Waller, P.M.; Slack, D.C.

    1997-01-01

    The onset and rate of sap moving up the branches of grapefruit (Citrus paradisi Macfadyen) trees were monitored hourly using portable sap flow sensors at Waddell, Arizona. Hourly reference evapotranspiration (ETo) estimates were calculated using data from a nearby weather station. Crop water use was estimated from soil moisture measurements using a neutron probe. These data were used to first delineate the upper and lower temperature threshold values for the determination of heat units. A heat unit-based crop coefficient was then derived from a correlation of the crop coefficient with heat units over a crop year. The heat unit-based crop coefficient was found to be similar to crop coefficients derived by other reseachers

  15. Approximate equations at breaking for nearshore wave transformation coefficients

    Digital Repository Service at National Institute of Oceanography (India)

    Chandramohan, P.; Nayak, B.U.; SanilKumar, V.

    Based on small amplitude wave theory approximate equations are evaluated for determining the coefficients of shoaling, refraction, bottom friction, bottom percolation and viscous dissipation at breaking. The results obtainEd. by these equations...

  16. Enhancing blooming period and propagation coefficient of tulip ...

    African Journals Online (AJOL)

    Enhancing blooming period and propagation coefficient of tulip (Tulipa gesneriana L.) using growth regulators. Ramesh Kumar, Nazeer Ahmed, Desh Beer Singh, Om Chand Sharma, Shiv Lal, Mohammad Muzamil Salmani ...

  17. Determining Composite Validity Coefficients for Army Jobs and Job Families

    National Research Council Canada - National Science Library

    Zeidner, Joseph

    2002-01-01

    ...) is to compute composite validity coefficients. using criterion data derived from the 1987 - 1989 Skill Qualifications Test program, for the 7-test ASVAB for 150, 17, and 9 job family structures...

  18. Approximation of the Frame Coefficients using Finite Dimensional Methods

    DEFF Research Database (Denmark)

    Christensen, Ole; Casazza, P.

    1997-01-01

    A frame is a family $\\{f_i \\}_{i=1}^{\\infty}$ of elements in aHilbert space $\\cal H $with the property that every element in $\\cal H $ can be written as a(infinite) linear combination of the frame elements. Frame theorydescribes how one can choose the corresponding coefficients, which arecalled......_i \\}_{i=1}^{n}$ of the frame and theorthogonal projection $P_n$ onto its span. For $f \\in \\h ,P_nf$ has a representation as a linear combination of $f_i , i=1,2,..n,$and the corresponding coefficients can be calculated using finite dimensionalmethods. We find conditions implying that those coefficients...... frame coefficients. From the mathematical point of view this is gratifying, but for applications it is a problem that the calculationrequires inversion of an operator on $\\cal H $. \\The projection method is introduced in order to avoid thisproblem. The basic idea is toconsider finite subfamilies $\\{f...

  19. Seal assembly for materials with different coefficients of thermal expansion

    Science.gov (United States)

    Minford, Eric [Laurys Station, PA

    2009-09-01

    Seal assembly comprising (a) two or more seal elements, each element having having a coefficient of thermal expansion; and (b) a clamping element having a first segment, a second segment, and a connecting segment between and attached to the first and second segments, wherein the two or more seal elements are disposed between the first and second segments of the clamping element. The connecting segment has a central portion extending between the first segment of the clamping element and the second segment of the clamping element, and the connecting segment is made of a material having a coefficient of thermal expansion. The coefficient of thermal expansion of the material of the connecting segment is intermediate the largest and smallest of the coefficients of thermal expansion of the materials of the two or more seal elements.

  20. System to Measure Thermal Conductivity and Seebeck Coefficient for Thermoelectrics

    Science.gov (United States)

    Kim, Hyun-Jung; Skuza, Jonathan R.; Park, Yeonjoon; King, Glen C.; Choi, Sang H.; Nagavalli, Anita

    2012-01-01

    The Seebeck coefficient, when combined with thermal and electrical conductivity, is an essential property measurement for evaluating the potential performance of novel thermoelectric materials. However, there is some question as to which measurement technique(s) provides the most accurate determination of the Seebeck coefficient at elevated temperatures. This has led to the implementation of nonstandardized practices that have further complicated the confirmation of reported high ZT materials. The major objective of the procedure described is for the simultaneous measurement of the Seebeck coefficient and thermal diffusivity within a given temperature range. These thermoelectric measurements must be precise, accurate, and reproducible to ensure meaningful interlaboratory comparison of data. The custom-built thermal characterization system described in this NASA-TM is specifically designed to measure the inplane thermal diffusivity, and the Seebeck coefficient for materials in the ranging from 73 K through 373 K.

  1. Analysis of punctuality coefficients in the static method of research

    Directory of Open Access Journals (Sweden)

    Janusz WOCH

    2008-01-01

    Full Text Available Complex research of punctuality requires analysis of many coefficients. In the article the analysis and the example of application one of the basic methods of punctuality measurement – the static one – has been presented.

  2. Transport Coefficients for Holographic Hydrodynamics at Finite Energy Scale

    Directory of Open Access Journals (Sweden)

    Xian-Hui Ge

    2014-01-01

    Full Text Available We investigate the relations between black hole thermodynamics and holographic transport coefficients in this paper. The formulae for DC conductivity and diffusion coefficient are verified for electrically single-charged black holes. We examine the correctness of the proposed expressions by taking charged dilatonic and single-charged STU black holes as two concrete examples, and compute the flows of conductivity and diffusion coefficient by solving the linear order perturbation equations. We then check the consistence by evaluating the Brown-York tensor at a finite radial position. Finally, we find that the retarded Green functions for the shear modes can be expressed easily in terms of black hole thermodynamic quantities and transport coefficients.

  3. Retrieving complex surface impedances from statistical absorption coefficients

    DEFF Research Database (Denmark)

    Mondet, Boris Jean-Francois; Brunskog, Jonas; Jeong, Cheol-Ho

    2017-01-01

    coefficients, prior information about the absorber of interest can be used as constraints, which is shown to help determine the correct impedance from absorption coefficient. Further stability and sensitivity investigations indicate that the method presented constitutes an efficient solution to convert sound......In room acoustic simulations the surface materials are commonly represented with energy parameters, such as the absorption and scattering coefficients, which do not carry phase information. This paper presents a method to transform statistical absorption coefficients into complex surface impedances...... that the impedance found has a physical meaning and respects causality in the time domain. Known material models, such as Miki’s and Maa’s models, are taken as references to assess the validity of the suggested model. Due to the non-uniqueness of retrieving complex-valued impedances from real-valued absorption...

  4. Clustering coefficient and community structure of bipartite networks

    Science.gov (United States)

    Zhang, Peng; Wang, Jinliang; Li, Xiaojia; Li, Menghui; Di, Zengru; Fan, Ying

    2008-12-01

    Many real-world networks display natural bipartite structure, where the basic cycle is a square. In this paper, with the similar consideration of standard clustering coefficient in binary networks, a definition of the clustering coefficient for bipartite networks based on the fraction of squares is proposed. In order to detect community structures in bipartite networks, two different edge clustering coefficients LC4 and LC3 of bipartite networks are defined, which are based on squares and triples respectively. With the algorithm of cutting the edge with the least clustering coefficient, communities in artificial and real world networks are identified. The results reveal that investigating bipartite networks based on the original structure can show the detailed properties that is helpful to get deep understanding about the networks.

  5. correlation and path coefficient analysis of yield characters of bambara

    African Journals Online (AJOL)

    Finance DAC

    academicjournals.org/AJEST. African Journal of Environmental Science and. Technology. Full Length Research Paper. Correlation and path coefficient analysis of yield characters of bambara (Vigna subterranea L.Verdc.) S. M. Maunde. 1. *, B. Tanimu.

  6. On the friction coefficient of straight-chain aggregates.

    Science.gov (United States)

    Isella, Lorenzo; Drossinos, Yannis

    2011-04-15

    A methodology to calculate the friction coefficient of an aggregate in the continuum regime is proposed. The friction coefficient and the monomer shielding factors, aggregate-average or individual, are related to the molecule-aggregate collision rate that is obtained from the molecular diffusion equation with an absorbing boundary condition on the aggregate surface. Calculated friction coefficients of straight chains are in very good agreement with previous results, suggesting that the friction coefficients may be accurately calculated from the product of the collision rate and an average momentum transfer, the latter being independent of aggregate morphology. Langevin-dynamics simulations show that the diffusive motion of straight-chain aggregates may be described either by a monomer-dependent or an aggregate-average random force, if the shielding factors are appropriately chosen. Copyright © 2011 Elsevier Inc. All rights reserved.

  7. Use of appropriate absorption coefficients in gamma-ray dosimetry

    International Nuclear Information System (INIS)

    Gopinath, D.V.; Natarajan, A.; Subbaiah, K.V.

    1985-01-01

    The current use of the different types of absorption coefficients in the computation of γ-ray energy deposition rates and air dose is critically analyzed. Transport calculations are presented to bring out the errors associated with the use of different absorption coefficients. It is observed that except for source energies in the range of 0.3 to 3.0 MeV the consistent use of the absorption coefficient, μ/sub a/ results in an underestimate of the air dose everywhere and of energy deposition at regions away from source. The underestimate becomes more significant with increased atomic number (Z) of the medium. Based on the computations and analysis it is concluded that the absorption coefficients μ/sub a/ and μ/sub k/ are of very limited use in practical γ-ray dosimetry

  8. Solving Variable Coefficient Fourth-Order Parabolic Equation by ...

    African Journals Online (AJOL)

    In this paper, a Modified initial guess Variational Iteration Method (MigVIM) is used to solve a non-homogeneous variable coefficient fourth order parabolic partial differential equations. The new method shows rapid convergence to the exact solution.

  9. Determination of ion diffusion coefficients by the electromigration method

    International Nuclear Information System (INIS)

    Bonchev, G.D.; Milanov, M.V.; Bozhikov, G.A.; Ivanov, P.I.; Priemyshev, A.N.; Maslov, O.D.; Dmitriev, S.N.

    2003-01-01

    An electrophoretic method for measuring ion diffusion coefficients in aqueous solutions is developed. The value of the diffusion coefficient can be determined from the linear relationship between the square standard deviation of the electrophoretic zone and the time from the start of the diffusion process. Using the device for horizontal zone electrophoresis in a free electrolyte, a series of diffusion experiments are performed with no-carrier-added radionuclides in microconcentrations (10 -9 - 10 -10 M). Diffusion coefficients of 111 In(III), 175 Hf(IV) and 237 Pu(VI) ions at 25 0 C are determined in nitric acid media. Simultaneous determination of the diffusion coefficient and electrophoretic mobility allows one to calculate the effective charge of the investigated ions in accordance with the Nernst-Einstein law

  10. Induration and Biot’s Coefficient of Palaeogene Limestone

    DEFF Research Database (Denmark)

    Andreassen, Katrine Alling

    2017-01-01

    specimens aids in performing fluid substitution with Gassmann’s equation. For the soft H2 specimens the shear wave could not be obtained and isoframe modelling is applied. A correlation is found; although, the Biot coefficient for the intermediate indurations H3 and H4 overlap. The dry density is found...... to very competent/slightly metamorphic rock. The Biot coefficient links to the degree of cementation in the capacity of how it relates the elastic deformations with the change in pore pressure. A hypothesis is that the degree of induration could be correlated to the magnitude of the Biot coefficient....... This is tested on 11 Copenhagen Limestone specimens of varying porosity and densities obtained from one borehole with a limestone interval of 30 m. Their induration varies from H2 to H5. Elastic wave propagation measurements are used to establish the Biot coefficient and determination of the mineralogy for H5...

  11. Determination of drying kinetics and convective heat transfer coefficients of ginger slices

    Science.gov (United States)

    Akpinar, Ebru Kavak; Toraman, Seda

    2016-10-01

    In the present work, the effects of some parametric values on convective heat transfer coefficients and the thin layer drying process of ginger slices were investigated. Drying was done in the laboratory by using cyclone type convective dryer. The drying air temperature was varied as 40, 50, 60 and 70 °C and the air velocity is 0.8, 1.5 and 3 m/s. All drying experiments had only falling rate period. The drying data were fitted to the twelve mathematical models and performance of these models was investigated by comparing the determination of coefficient ( R 2), reduced Chi-square ( χ 2) and root mean square error between the observed and predicted moisture ratios. The effective moisture diffusivity and activation energy were calculated using an infinite series solution of Fick's diffusion equation. The average effective moisture diffusivity values and activation energy values varied from 2.807 × 10-10 to 6.977 × 10-10 m2/s and 19.313-22.722 kJ/mol over the drying air temperature and velocity range, respectively. Experimental data was used to evaluate the values of constants in Nusselt number expression by using linear regression analysis and consequently, convective heat transfer coefficients were determined in forced convection mode. Convective heat transfer coefficient of ginger slices showed changes in ranges 0.33-2.11 W/m2 °C.

  12. Age-dependent dose coefficients for tritium in Asian populations

    International Nuclear Information System (INIS)

    Trivedi, A.

    1999-10-01

    The International Commission on Radiological Protection (ICRP) Publications 56 (1989) and 67 (1993) have prescribed the biokinetic models and age-dependent dose coefficients for tritiated water and organically bound tritium. The dose coefficients are computed from values selected to specify the anatomical, morphological and physiological characteristics of a three-month-old, one-year-old, five-year-old, 10-year-old, 15-year-old and adult (Reference Man) Caucasian living in North America and Western Europe. However, values for Reference Man and other age groups are not directly applicable to Asians, because of differences in race, custom, dietary habits and climatic conditions. An Asian Man model, including five age groups, has been proposed by Tanaka and Kawamura (1996, 1998) for use in internal dosimetry. The basic concept of the ICRP Reference Man and the system describing body composition in ICRP Publication 23 (1975) were used. Reference values for Asians were given for the body weight and height, the mass of soft tissue, the mass of body water and the daily fluid balance, and are used to compute the dose coefficients for tritium. The age-dependent dose coefficients for Asians for tritiated water intakes are smaller by 20 to 30% of the currently prescribed values (Trivedi, 1998). The reduction in the dose coefficient values is caused by the increased daily fluid balance among Asians. The dose coefficient for tritiated water is 1.4 x 10 -11 Sv Bq -1 for Asian Man compared to 2.0 x 10 -11 Sv Bq -1 for Reference Man. The dose coefficients for organically bound tritium are only marginally different from those of the ICRP values. The dose coefficient for organically bound tritium for Asian Man is 4.0 x 10 -11 Sv Bq -11 compared to 4.6 x 10 -11 Sv Bq -1 for Reference Man. (author)

  13. Symmetry and piezoelectricity: evaluation of α-quartz coefficients

    Science.gov (United States)

    Tannous, C.

    2017-11-01

    Piezoelectric coefficients of α-quartz are derived from symmetry arguments based on Neumann’s principle using three different methods: Fumi, Landau-Lifshitz and Royer-Dieulesaint. While the Fumi method is tedious and the Landau-Lifshitz method requires additional physical principles to evaluate the piezoelectric coefficients, the Royer-Dieulesaint method is the most elegant and most efficient of the three techniques.

  14. Exact solutions to a nonlinear dispersive model with variable coefficients

    International Nuclear Information System (INIS)

    Yin Jun; Lai Shaoyong; Qing Yin

    2009-01-01

    A mathematical technique based on an auxiliary differential equation and the symbolic computation system Maple is employed to investigate a prototypical and nonlinear K(n, n) equation with variable coefficients. The exact solutions to the equation are constructed analytically under various circumstances. It is shown that the variable coefficients and the exponent appearing in the equation determine the quantitative change in the physical structures of the solutions.

  15. On the misinterpretation of the correlation coefficient in pharmaceutical sciences

    DEFF Research Database (Denmark)

    Sonnergaard, Jørn

    2006-01-01

    The correlation coefficient is often used and more often misused as a universal parameter expressing the quality in linear regression analysis. The popularity of this dimensionless quantity is evident as it is easy to communicate and considered to be unproblematic to comprehend. However...... technique depends on the purpose of the investigation. These relevant and precise methods in quality assurance of linear regression as alternative to the correlation coefficient are presented....

  16. Analytical computation of reflection and transmission coefficients for love waves

    International Nuclear Information System (INIS)

    Romanelli, F.; Vaccari, F.

    1995-09-01

    The computation of the transmission and reflection coefficients is an important step in the construction, if modal summation technique is used, of synthetic seismograms for 2-D or 3-D media. These coupling coefficients for Love waves at a vertical discontinuity are computed analytically. Numerical test for realistic structures show how the energy carried by an incoming mode is redistributed on the various modes existing on both sides of the vertical interface. (author). 15 refs, 8 figs

  17. Age-dependent dose coefficients for tritium in Asian populations

    Energy Technology Data Exchange (ETDEWEB)

    Trivedi, A

    1999-10-01

    The International Commission on Radiological Protection (ICRP) Publications 56 (1989) and 67 (1993) have prescribed the biokinetic models and age-dependent dose coefficients for tritiated water and organically bound tritium. The dose coefficients are computed from values selected to specify the anatomical, morphological and physiological characteristics of a three-month-old, one-year-old, five-year-old, 10-year-old, 15-year-old and adult (Reference Man) Caucasian living in North America and Western Europe. However, values for Reference Man and other age groups are not directly applicable to Asians, because of differences in race, custom, dietary habits and climatic conditions. An Asian Man model, including five age groups, has been proposed by Tanaka and Kawamura (1996, 1998) for use in internal dosimetry. The basic concept of the ICRP Reference Man and the system describing body composition in ICRP Publication 23 (1975) were used. Reference values for Asians were given for the body weight and height, the mass of soft tissue, the mass of body water and the daily fluid balance, and are used to compute the dose coefficients for tritium. The age-dependent dose coefficients for Asians for tritiated water intakes are smaller by 20 to 30% of the currently prescribed values (Trivedi, 1998). The reduction in the dose coefficient values is caused by the increased daily fluid balance among Asians. The dose coefficient for tritiated water is 1.4 x 10{sup -11} Sv Bq{sup -1} for Asian Man compared to 2.0 x 10{sup -11} Sv Bq{sup -1} for Reference Man. The dose coefficients for organically bound tritium are only marginally different from those of the ICRP values. The dose coefficient for organically bound tritium for Asian Man is 4.0 x 10{sup -11} Sv Bq{sup -11} compared to 4.6 x 10{sup -11} Sv Bq{sup -1} for Reference Man. (author)

  18. Characterization of the effective electrostriction coefficients in ferroelectric thin films

    Science.gov (United States)

    Kholkin, A. L.; Akdogan, E. K.; Safari, A.; Chauvy, P.-F.; Setter, N.

    2001-06-01

    Electromechanical properties of a number of ferroelectric films including PbZrxTi1-xO3(PZT), 0.9PbMg1/3Nb2/3O3-0.1PbTiO3(PMN-PT), and SrBi2Ta2O9(SBT) are investigated using laser interferometry combined with conventional dielectric measurements. Effective electrostriction coefficients of the films, Qeff, are determined using a linearized electrostriction equation that couples longitudinal piezoelectric coefficient, d33, with the polarization and dielectric constant. It is shown that, in PZT films, electrostriction coefficients slightly increase with applied electric field, reflecting the weak contribution of non-180° domains to piezoelectric properties. In contrast, in PMN-PT and SBT films electrostriction coefficients are field independent, indicating the intrinsic nature of the piezoelectric response. The experimental values of Qeff are significantly smaller than those of corresponding bulk materials due to substrate clamping and possible size effects. Electrostriction coefficients of PZT layers are shown to depend strongly on the composition and preferred orientation of the grains. In particular, Qeff of (100) textured rhombohedral films (x=0.7) is significantly greater than that of (111) layers. Thus large anisotropy of the electrostrictive coefficients is responsible for recently observed large piezoelectric coefficients of (100) textured PZT films. Effective electrostriction coefficients obtained by laser interferometry allow evaluation of the electromechanical properties of ferroelectric films based solely on the dielectric parameters and thus are very useful in the design and fabrication of microsensors and microactuators.

  19. First sound absorption and dissipation coefficients of HeII

    International Nuclear Information System (INIS)

    Adamenko, I.N.; Belyaev, N.R.; Tsyganok, V.I.

    1988-01-01

    The first sound absorption coefficient is obtained on the basis of kinetic equations for phonons and rotons. The second viscosity coefficient of He II is calculated at different pressures in a wide temperature range including the phonon-roton and pure phonon regions and taking into account the inelastic phonon scattering by rotons and the phonon spectrum dispersion. The calculation is compared with experimental results

  20. The temperature variation of hydrogen diffusion coefficients in metal alloys

    Science.gov (United States)

    Danford, M. D.

    1990-01-01

    Hydrogen diffusion coefficients were measured as a function of temperature for a few metal alloys using an electrochemical evolution technique. Results from these measurements are compared to those obtained by the time-lag method. In all cases, diffusion coefficients obtained by the electrochemical method are larger than those by the time-lag method by an order of magnitude or more. These differences are attributed mainly to hydrogen trapping.

  1. Determination of the scattering coefficient, the reduced scattering coefficient, and the anisotropy factor of tissue with differential interference contrast microscopy

    Science.gov (United States)

    DeAngelo, Bianca; Arzumanov, Grant; Shanley, Patrick; Xu, Zhang; Xu, M.

    2012-03-01

    We report an approach for determination of the scattering coefficient, the reduced scattering coefficient, and the anisotropy factor from the quantitative phase map measured by differential interference contrast microscopy based on the scatteringphase theorem. The approach is first validated by showing the excellent agreement between the retrieved optical properties of polystyrene spheres and Intralipid-20% suspension and their known values. The scattering properties of unstained pathological prostate cancer slides and fresh cancerous and normal colon tissue samples are then investigated. A clear trend with cancer in the reduced scattering coefficient and the anisotropy factor is shown. The potential of the approach for tissue diagnosis is discussed at the end.

  2. Determining Pitch-angle Diffusion Coefficients from Test Particle Simulations

    Science.gov (United States)

    Ivascenko, Alex; Lange, Sebastian; Spanier, Felix; Vainio, Rami

    2016-12-01

    The transport and acceleration of charged particles in turbulent media are topics of great interest in space physics and interstellar astrophysics. These processes are dominated by the scattering of particles off magnetic irregularities. The scattering process itself is usually described by small-angle scattering, with the pitch-angle coefficient {D}μ μ playing a major role. Since the diffusion coefficient {D}μ μ can be determined analytically only for the approximation of quasilinear theory, the determination of this coefficient from numerical simulations has become more important. So far these simulations have yielded particle tracks for small-scale scattering, which can then be interpreted using the running diffusion coefficients. This method has a limited range of validity. This paper presents two new methods that allow for the calculation of the pitch-angle diffusion coefficient from numerical simulations. These methods no longer analyze particle trajectories and instead examine the change of particle distribution functions. It is shown that these methods provide better resolved results and allow for the analysis of strong turbulence. The application of these methods to Monte Carlo simulations of particle scattering and hybrid MHD-particle simulations is presented. Both analysis methods are able to recover the diffusion coefficients used as input for the Monte Carlo simulations and provide better results in MHD simulations, especially for stronger turbulence.

  3. EXPERIMENTALl ANALYSIS OF PARTITION COEFFICIENT IN Al-Mg ALLOYS

    Directory of Open Access Journals (Sweden)

    M.H. Avazkonandeh-Gharavo

    2016-06-01

    Full Text Available Because the partition coefficient is one of the most important parameters affecting microsegregation, the aim of this research is to experimentally analyse the partition coefficient in Al-Mg alloys. In order to experimentally measure the partition coefficient, a series of quenching experiments during solidification were carried out. For this purpose binary Al-Mg alloys containing 6.7 and 10.2 wt-% Mg were melted and solidified in a DTA furnace capable of quenching samples during solidification. Cooling rates of 0.5 and 5 K/min were used and samples were quenched from predetermined temperatures during solidification. The fractions and compositions of the phases were measured by quantitative metallography and SEM/EDX analyses, respectively. These results were used to measure the experimental partition coefficients. The resultant partition coefficients were used to model the concentration profile in the primary phase and the results were compared with equilibrium calculations and experimental profiles. The results of calculations based on the experimental partition coefficients show better consistency with experimental concentration profiles than the equilibrium calculations.

  4. Kinetic coefficients for the biological treatment of tannery wastewater

    International Nuclear Information System (INIS)

    Haydar, S.

    2008-01-01

    Determination of kinetic coefficients for a particular wastewater is imperative for the rational design of biological treatment-facilities. The present study was undertaken with the objective of finding out kinetic coefficients for tannery wastewater. A bench-scale model of aerated lagoon, consisting of an aeration tank and final clarifier, was use to conduct the studies. The model was operated continuously for 96 days, by varying the detention times from 3 to 9 days. Influent for the aerated lagoon was settled tannery wastewater. Biochemical oxygen demand (BOD) of the influent and effluent and the mixed-liquor suspended solids (MLSS) of aeration tank were determined at various detention-times so as to generate data for kinetic coefficients. The kinetic coefficients k, Ks, Y and Ed were found to be 3.125 day/sup -1/, 488 mg/L, 0.64 and 0.035 day/sup -1/ respectively. Overall rate-constant of BOD, removal 'K' was also determined and was found to be 1.43 day/sup -1/. Kinetic coefficients were determined, at mean reactor-temperature of 30.2 degree C. These coefficients may be utilized for the design of biological-treatment facilities for tannery wastewater. (author)

  5. Breakdown coefficients and scaling properties of rain fields

    Directory of Open Access Journals (Sweden)

    D. Harris

    1998-01-01

    Full Text Available The theory of scale similarity and breakdown coefficients is applied here to intermittent rainfall data consisting of time series and spatial rain fields. The probability distributions (pdf of the logarithm of the breakdown coefficients are the principal descriptor used. Rain fields are distinguished as being either multiscaling or multiaffine depending on whether the pdfs of breakdown coefficients are scale similar or scale dependent, respectively. Parameter  estimation techniques are developed which are applicable to both multiscaling and multiaffine fields. The scale parameter (width, σ, of the pdfs of the log-breakdown coefficients is a measure of the intermittency of a field. For multiaffine fields, this scale parameter is found to increase with scale in a power-law fashion consistent with a bounded-cascade picture of rainfall modelling. The resulting power-law exponent, H, is indicative of the smoothness of the field. Some details of breakdown coefficient analysis are addressed and a theoretical link between this analysis and moment scaling analysis is also presented. Breakdown coefficient properties of cascades are also investigated in the context of parameter estimation for modelling purposes.

  6. Technique for Determining Lock Coefficient of Differential "Quif"

    Directory of Open Access Journals (Sweden)

    A. B. Fominyh

    2015-01-01

    Full Text Available Increasing the traction qualities of cars on the black ice and snow-covered roads is a relevant task. There are two ways to solve this task, i.e. optimize distribution of the power stream between the driving wheels of the car; introduce a differential (differentials of the increased friction in transmission.Now, an installation of the increased friction differential in transmission is the most widespread measure to increase traction properties of cars. The differential of design "Quif" is one of such differentials. To estimate the efficiency degree of using such a differential is possible either experimentally or theoretically. In case of theoretically determined usefulness of this differential design, as an estimate indicator of the differential installation in transmission a coefficient of lock is accepted.The article considers an algorithm and a technique to calculate a lock coefficient of the differential design "Quif" allowing us to define numeric values of the lock coefficient of such differential at designing stage. It also considers how the lock coefficient depends on the gearing angle and tilt angle of the gear wheel teeth of differential. The given estimating algorithm of designated parameter of differential has more logical and compact structure with regard to the known ones. The lock coefficient values calculated by the offered technique differ from the experimental data by no more than 12%. Taking into account abovementioned, the presented technique for calculating lock coefficient of differential "Quif" is advisable for practical application.

  7. Earning on Response Coefficient in Automobile and Go Public Companies

    Directory of Open Access Journals (Sweden)

    Lisdawati Arifin

    2017-09-01

    Full Text Available This study aims to analyze factors that influence earnings response coefficients (ERC, simultaneously and partially, composed of leverage, the systematic risk (beta, growth opportunities (market to book value ratio, and the size of the firm (firm size, selection of the sample in this study the author take 12 automakers and components that meet the criteria of completeness of the data from the year 2008 to 2012, entirely based on consideration of the following criteria: (1 the company's automotive and components are listed on the stock exchange, (2 have the financial statements years 2008-2012 (3 has a return data (closing price the first day after the date of issuance of the financial statements. This study uses secondary data applying multiple linear regression models to analyze and test the effect of independent variables on the dependent variable partially (t-test, simultaneous (f-test, and the goodness of fit (R-square on a research model. The result shows that leverage, beta, growth opportunities (market to book value ratio and size along with (simultaneously the effect on the dependent variable (dependent variable earnings response coefficients. Partially leverage negatively affect earnings response coefficients, partially beta negatively correlated earnings response coefficients, partially growth opportunities (market to book value ratio significant effect on earnings response coefficients, partially sized companies (firm size significantly influence earnings response coefficients.

  8. Effect of Variable Manning Coefficients on Tsunami Inundation

    Science.gov (United States)

    Barberopoulou, A.; Rees, D.

    2017-12-01

    Numerical simulations are commonly used to help estimate tsunami hazard, improve evacuation plans, issue or cancel tsunami warnings, inform forecasting and hazard assessments and have therefore become an integral part of hazard mitigation among the tsunami community. Many numerical codes exist for simulating tsunamis, most of which have undergone extensive benchmarking and testing. Tsunami hazard or risk assessments employ these codes following a deterministic or probabilistic approach. Depending on the scope these studies may or may not consider uncertainty in the numerical simulations, the effects of tides, variable friction or estimate financial losses, none of which are necessarily trivial. Distributed manning coefficients, the roughness coefficients used in hydraulic modeling, are commonly used in simulating both riverine and pluvial flood events however, their use in tsunami hazard assessments is primarily part of limited scope studies and for the most part, not a standard practice. For this work, we investigate variations in manning coefficients and their effects on tsunami inundation extent, pattern and financial loss. To assign manning coefficients we use land use maps that come from the New Zealand Land Cover Database (LCDB) and more recent data from the Ministry of the Environment. More than 40 classes covering different types of land use are combined into major classes such as cropland, grassland and wetland representing common types of land use in New Zealand, each of which is assigned a unique manning coefficient. By utilizing different data sources for variable manning coefficients, we examine the impact of data sources and classification methodology on the accuracy of model outputs.

  9. Investigation on Thrust and Moment Coefficients of a Centrifugal Turbomachine

    Directory of Open Access Journals (Sweden)

    Bo Hu

    2018-04-01

    Full Text Available In radial pumps and turbines, the centrifugal through-flow in both the front and the back chambers is quite common. It strongly impacts the core swirl ratio, pressure distribution, axial thrust and frictional torque. In order to investigate these relationships experimentally, a test rig was designed at the University of Duisburg-Essen and described in this paper. Based on both the experimental and numerical results, correlations are determined to predict the impacts of the centrifugal through-flow on the core swirl ratio, the thrust coefficient and the moment coefficient. Two correlations respectively are determined to associate the core swirl ratio with the local through-flow coefficient for both Batchelor type flow and Stewartson type flow. The correlations describing the thrust coefficient and the moment coefficient in a rotor-stator cavity with centripetal through-flow (Hu et al., 2017 are modified for the case of centrifugal through-flow. The Daily and Nece diagram distinguishing between different flow regimes in rotor-stator cavities is extended with a through-flow coordinate into 3D. The achieved results provide a comprehensive data base which is intended to support the calculation of axial thrust and moment coefficients during the design process of radial pumps and turbines in a more accurate manner.

  10. A theoretical framework for quantitatively characterizing sound field diffusion based on scattering coefficient and absorption coefficient of walls.

    Science.gov (United States)

    Hanyu, Toshiki

    2010-09-01

    This paper describes the development of a theoretical framework for quantitatively characterizing sound field diffusion based on scattering coefficient and absorption coefficient of walls. The concepts of equivalent scattering area, equivalent scatter reflection area, average scattering coefficient and average scatter reflection coefficient are introduced in order to express all walls' capability of scatter in a room. Using these concepts and the mean free path, scatter-to-absorption ratio, mean scatter time and diffusion time are defined in order to evaluate degree of diffusion of a space. Furthermore the effect of spatial scattering objects to sound field diffusion is formulated. In addition the time variation of specular and scattered components in a room impulse response is formulated. The verification of these characterization methods was performed with computer simulations based on the sound ray tracing method. The results supported that the ideas presented are basically valid.

  11. Simultaneous interferometric measurement of linear coefficient of thermal expansion and temperature-dependent refractive index coefficient of optical materials.

    Science.gov (United States)

    Corsetti, James A; Green, William E; Ellis, Jonathan D; Schmidt, Greg R; Moore, Duncan T

    2016-10-10

    Characterizing the thermal properties of optical materials is necessary for understanding how to design an optical system for changing environmental conditions. A method is presented for simultaneously measuring both the linear coefficient of thermal expansion and the temperature-dependent refractive index coefficient of a sample interferometrically in air. Both the design and fabrication of the interferometer is presented as well as a discussion of the results of measuring both a steel and a CaF2 sample.

  12. Chondroitin sulfate reduces the friction coefficient of articular cartilage.

    Science.gov (United States)

    Basalo, Ines M; Chahine, Nadeen O; Kaplun, Michael; Chen, Faye H; Hung, Clark T; Ateshian, Gerard A

    2007-01-01

    The objective of this study was to investigate the effect of chondroitin sulfate (CS)-C on the frictional response of bovine articular cartilage. The main hypothesis is that CS decreases the friction coefficient of articular cartilage. Corollary hypotheses are that viscosity and osmotic pressure are not the mechanisms that mediate the reduction in the friction coefficient by CS. In Experiment 1, bovine articular cartilage samples (n=29) were tested in either phosphate buffered saline (PBS) or in PBS containing 100mg/ml of CS following 48h incubation in PBS or in PBS+100mg/ml CS (control specimens were not subjected to any incubation). In Experiment 2, samples (n=23) were tested in four different solutions: PBS, PBS+100mg/ml CS, and PBS+polyethylene glycol (PEG) (133 or 170mg/ml). In Experiment 3, samples (n=18) were tested in three solutions of CS (0, 10 and 100mg/ml). Frictional tests (cartilage-on-glass) were performed under constant stress (0.5MPa) for 3600s and the time-dependent friction coefficient was measured. Samples incubated or tested in a 100mg/ml CS solution exhibited a significantly lower equilibrium friction coefficient than the respective PBS control. PEG solutions delayed the rise in the friction coefficient relative to the PBS control, but did not reduce the equilibrium value. Testing in PBS+10mg/ml of CS did not cause any significant decrease in the friction coefficient. In conclusion, CS at a concentration of 100mg/ml significantly reduces the friction coefficient of bovine articular cartilage and this mechanism is neither mediated by viscosity nor osmolarity. These results suggest that direct injection of CS into the joint may provide beneficial tribological effects.

  13. Measurements of the Fe3+ diffusion coefficient in Fricke Xylenol gel using optical density measurements

    International Nuclear Information System (INIS)

    Nonato de Oliveira, Lucas; Sampaio, Francisco Glaildo Almeida; Moreira, Marcos Vasques; Almeida, Adelaide de

    2014-01-01

    In Fricke dosimetry, optical density measurements are performed some time after dosimeter irradiation. Values of the diffusion coefficient of Fe 3+ in Fricke Xylenol gel (FXG) are necessary for determining the spatial distribution of the absorbed dose from measurements of the optical density. Five sets of FXG dosimeters, kept at different constant temperatures, were exposed to collimated 6 MV photons. The optical density profile, proportional to the Fe 3+ concentration, at the boundary between irradiated and non-irradiated parts of each dosimeter was measured periodically over a period of 60 h. By comparing the experimental data with a function that accounts for the unobserved initial concentration profile of Fe 3+ in the FXG, we obtained diffusion coefficients 0.30±0.05, 0.40±0.05, 0.50±0.05, 0.60±0.05 and 0.80±0.05 mm 2 /h for the temperatures 283.0±0.5, 286.0±0.5, 289.0±0.5, 292.0±0.5, and 296.0±0.5 K, respectively. The activation energy of Fe 3+ diffusion in the gel, 0.54±0.06 eV, was determined from the temperature dependence of the diffusion coefficients. - Highlights: • A new analytical method to determine diffusion coefficients of ions in gels is proposed. • The method is applied for measurements of the diffusion coefficients of Fe 3+ ions in a Fricke gel dosimeter. • Activation energy of the Fe 3+ ions in the gel was found to be 0.54 ±0.06 eV

  14. Analytical Modeling Of The Steinmetz Coefficient For Single-Phase Transformer Eddy Current Loss Prediction

    Directory of Open Access Journals (Sweden)

    T. Aly Saandy

    2015-08-01

    Full Text Available Abstract This article presents to an analytical calculation methodology of the Steinmetz coefficient applied to the prediction of Eddy current loss in a single-phase transformer. Based on the electrical circuit theory the active power consumed by the core is expressed analytically in function of the electrical parameters as resistivity and the geometrical dimensions of the core. The proposed modeling approach is established with the duality parallel series. The required coefficient is identified from the empirical Steinmetz data based on the experimented active power expression. To verify the relevance of the model validations both by simulations with two in two different frequencies and measurements were carried out. The obtained results are in good agreement with the theoretical approach and the practical results.

  15. Exact coefficients for higher dimensional operators with sixteen supersymmetries

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Wei-Ming [Department of Physics and Astronomy, National Taiwan University,Taipei 10617, Taiwan, R.O.C. (China); Huang, Yu-tin [Department of Physics and Astronomy, National Taiwan University,Taipei 10617, Taiwan, R.O.C. (China); School of Natural Sciences, Institute for Advanced Study,Princeton, NJ 08540 (United States); Wen, Congkao [INFN Sezione di Roma “Tor Vergata' ,Via della Ricerca Scientifica, 00133 Roma (Italy)

    2015-09-15

    We consider constraints on higher-dimensional operators for supersymmetric effective field theories. In four dimensions with maximal supersymmetry and SU(4) R-symmetry, we demonstrate that the coefficients of abelian operators F{sup n} with MHV helicity configurations must satisfy a recursion relation, and are completely determined by that of F{sup 4}. As the F{sup 4} coefficient is known to be one-loop exact, this allows us to derive exact coefficients for all such operators. We also argue that the results are consistent with the SL(2,Z) duality symmetry. Breaking SU(4) to Sp(4), in anticipation for the Coulomb branch effective action, we again find an infinite class of operators whose coefficients are determined exactly. We also consider three-dimensional N=8 as well as six-dimensional N=(2,0),(1,0) and (1,1) theories. In all cases, we demonstrate that the coefficient of dimension-six operator must be proportional to the square of that of dimension-four.

  16. PZT/PLZT - elastomer composites with improved piezoelectric voltage coefficient

    Science.gov (United States)

    Harikrishnan, K.; Bavbande, D. V.; Mohan, Dhirendra; Manoharan, B.; Prasad, M. R. S.; Kalyanakrishnan, G.

    2018-02-01

    Lead Zirconate Titanate (PZT) and Lanthanum-modified Lead Zirconate Titanate (PLZT) ceramic sensor materials are widely used because of their excellent piezoelectric coefficients. These materials are brittle, high density and have low achievable piezoelectric voltage coefficients. The density of the sintered ceramics shall be reduced by burnable polymeric sponge method. The achievable porosity level in this case is nearly 60 - 90%. However, the porous ceramic structure with 3-3 connectivity produced by this method is very fragile in nature. The strength of the porous structure is improved with Sylgard®-184 (silicone elastomer) by vacuum impregnation method maintaining the dynamic vacuum level in the range of -650 mm Hg. The elastomer Sylgard®-184 is having low density, low dielectric constant and high compliance (as a resultant stiffness of the composites is increased). To obtain a net dipole moment, the impregnated ceramic composites were subjected to poling treatment with varying conditions of D.C. field and temperature. The properties of the poled PZT/PLZT - elastomer composites were characterized with LCR meter for measuring the dielectric constant values (k), d33 meter used for measuring piezo-electric charge coefficient values (d33) and piezo-electric voltage coefficient (g33) values which were derived from d33 values. The voltage coefficient (g33) values of these composites are increased by 10 fold as compared to the conventional solid ceramics demonstrates that it is possible to fabricate a conformable detector.

  17. Apparent Coefficient of Friction of Wheat on Denim.

    Science.gov (United States)

    Schwab, Charles V

    2017-07-31

    Calculation of the extraction force for a grain entrapment victim requires a coefficient of friction between the grain and the surface of the victim. Because denim is a common fabric for the work clothes that cover entrapment victims, the coefficient of friction between grain and denim becomes necessary. The purpose of this research was to calculate the apparent coefficient of friction of wheat on denim fabric using a proven procedure. The expectation is to improve the current understanding of conditions that influence extraction forces for victims buried in wheat. The apparent coefficient of friction of wheat on denim fabric was calculated to be 0.167 with a standard deviation of ±0.013. The wheat had a moisture content of 10.7% (w.b.) and bulk density of 778.5 kg m-3. The apparent coefficient of friction of wheat on denim was not significantly affected by pull speeds of 0.004, 0.008, and 0.021 mm s-1 nor normal grain pressures of 3.2, 4.8, 6.3, 7.9, and 11.1 kPa. This is a beginning of understanding the conditions that influence the extraction forces for grain entrapment victims. Copyright© by the American Society of Agricultural Engineers.

  18. The influence of hydrogen bonding on partition coefficients

    Science.gov (United States)

    Borges, Nádia Melo; Kenny, Peter W.; Montanari, Carlos A.; Prokopczyk, Igor M.; Ribeiro, Jean F. R.; Rocha, Josmar R.; Sartori, Geraldo Rodrigues

    2017-02-01

    This Perspective explores how consideration of hydrogen bonding can be used to both predict and better understand partition coefficients. It is shown how polarity of both compounds and substructures can be estimated from measured alkane/water partition coefficients. When polarity is defined in this manner, hydrogen bond donors are typically less polar than hydrogen bond acceptors. Analysis of alkane/water partition coefficients in conjunction with molecular electrostatic potential calculations suggests that aromatic chloro substituents may be less lipophilic than is generally believed and that some of the effect of chloro-substitution stems from making the aromatic π-cloud less available to hydrogen bond donors. Relationships between polarity and calculated hydrogen bond basicity are derived for aromatic nitrogen and carbonyl oxygen. Aligned hydrogen bond acceptors appear to present special challenges for prediction of alkane/water partition coefficients and this may reflect `frustration' of solvation resulting from overlapping hydration spheres. It is also shown how calculated hydrogen bond basicity can be used to model the effect of aromatic aza-substitution on octanol/water partition coefficients.

  19. Exact coefficients for higher dimensional operators with sixteen supersymmetries

    Science.gov (United States)

    Chen, Wei-Ming; Huang, Yu-tin; Wen, Congkao

    2015-09-01

    We consider constraints on higher-dimensional operators for supersymmetric effective field theories. In four dimensions with maximal supersymmetry and SU(4) R-symmetry, we demonstrate that the coefficients of abelian operators F n with MHV helicity configurations must satisfy a recursion relation, and are completely determined by that of F 4. As the F 4 coefficient is known to be one-loop exact, this allows us to derive exact coefficients for all such operators. We also argue that the results are consistent with the SL(2,Z) duality symmetry. Breaking SU(4) to Sp(4), in anticipation for the Coulomb branch effective action, we again find an infinite class of operators whose coefficients are determined exactly. We also consider three-dimensional N = 8 as well as six-dimensional N = (2 ,0) ,(1 ,0) and (1 ,1) theories. In all cases, we demonstrate that the coefficient of dimension-six operator must be proportional to the square of that of dimension-four.

  20. New Insights into Signed Path Coefficient Granger Causality Analysis.

    Science.gov (United States)

    Zhang, Jian; Li, Chong; Jiang, Tianzi

    2016-01-01

    Granger causality analysis, as a time series analysis technique derived from econometrics, has been applied in an ever-increasing number of publications in the field of neuroscience, including fMRI, EEG/MEG, and fNIRS. The present study mainly focuses on the validity of "signed path coefficient Granger causality," a Granger-causality-derived analysis method that has been adopted by many fMRI researches in the last few years. This method generally estimates the causality effect among the time series by an order-1 autoregression, and defines a positive or negative coefficient as an "excitatory" or "inhibitory" influence. In the current work we conducted a series of computations from resting-state fMRI data and simulation experiments to illustrate the signed path coefficient method was flawed and untenable, due to the fact that the autoregressive coefficients were not always consistent with the real causal relationships and this would inevitablely lead to erroneous conclusions. Overall our findings suggested that the applicability of this kind of causality analysis was rather limited, hence researchers should be more cautious in applying the signed path coefficient Granger causality to fMRI data to avoid misinterpretation.

  1. The viscous slip coefficient for a binary gas mixture

    International Nuclear Information System (INIS)

    Knackfuss, Rosenei F.

    2009-01-01

    For a moderately small rarefaction, the Navier-Stokes equations are associated with of the slip boundary condition, i e the velocity of the gas on the surface is different from zero at the surface, but its tangential component, depends on the profile distribution of velocity and temperature near the surface. The slip for the velocity profile near the surface is determined by the viscous slip coefficient. The viscous slip coefficient can be determined solving the equation of the Boltzmann or the kinetic equations which are simplified forms of Boltzmann equation with respect to the operator of collision. For this reason, in this work is presented the derivation of the solution of the viscous-slip problem for the mixtures of two noble gases, based on the McCormack model that is developed in terms of an analytical version of the discrete ordinates method has been applied with excellent results, to derive solutions to several problems in rarefied gas dynamics. To complete the problem, include the gas-surface interaction, based on the model of Cercignani-Lampis, which, unlike the model of Maxwell, has two accommodation coefficients: the coefficient of accommodation of tangential moment and the energy accommodation coefficient kinetics due to normal component of velocity. (author)

  2. Stochastic back analysis of permeability coefficient using generalized Bayesian method

    Directory of Open Access Journals (Sweden)

    Zheng Guilan

    2008-09-01

    Full Text Available Owing to the fact that the conventional deterministic back analysis of the permeability coefficient cannot reflect the uncertainties of parameters, including the hydraulic head at the boundary, the permeability coefficient and measured hydraulic head, a stochastic back analysis taking consideration of uncertainties of parameters was performed using the generalized Bayesian method. Based on the stochastic finite element method (SFEM for a seepage field, the variable metric algorithm and the generalized Bayesian method, formulas for stochastic back analysis of the permeability coefficient were derived. A case study of seepage analysis of a sluice foundation was performed to illustrate the proposed method. The results indicate that, with the generalized Bayesian method that considers the uncertainties of measured hydraulic head, the permeability coefficient and the hydraulic head at the boundary, both the mean and standard deviation of the permeability coefficient can be obtained and the standard deviation is less than that obtained by the conventional Bayesian method. Therefore, the present method is valid and applicable.

  3. Incremental Aerodynamic Coefficient Database for the USA2

    Science.gov (United States)

    Richardson, Annie Catherine

    2016-01-01

    In March through May of 2016, a wind tunnel test was conducted by the Aerosciences Branch (EV33) to visually study the unsteady aerodynamic behavior over multiple transition geometries for the Universal Stage Adapter 2 (USA2) in the MSFC Aerodynamic Research Facility's Trisonic Wind Tunnel (TWT). The purpose of the test was to make a qualitative comparison of the transonic flow field in order to provide a recommended minimum transition radius for manufacturing. Additionally, 6 Degree of Freedom force and moment data for each configuration tested was acquired in order to determine the geometric effects on the longitudinal aerodynamic coefficients (Normal Force, Axial Force, and Pitching Moment). In order to make a quantitative comparison of the aerodynamic effects of the USA2 transition geometry, the aerodynamic coefficient data collected during the test was parsed and incorporated into a database for each USA2 configuration tested. An incremental aerodynamic coefficient database was then developed using the generated databases for each USA2 geometry as a function of Mach number and angle of attack. The final USA2 coefficient increments will be applied to the aerodynamic coefficients of the baseline geometry to adjust the Space Launch System (SLS) integrated launch vehicle force and moment database based on the transition geometry of the USA2.

  4. Condensation coefficient of water in a weak condensation state

    International Nuclear Information System (INIS)

    Kobayashi, Kazumichi; Watanabe, Shunsuke; Yamano, Daigo; Yano, Takeru; Fujikawa, Shigeo

    2008-01-01

    The condensation coefficient of water at a vapor-liquid interface is determined by combining shock tube experiments and numerical simulations of the Gaussian-BGK Boltzmann equation. The time evolution in thickness of a liquid film, which is formed on the shock tube endwall behind the shock wave reflected at the endwall, is measured with an optical interferometer consisting of the physical beam and the reference one. The reference beam is utilized to eliminate systematic noises from the physical beam. The growth rate of the film is evaluated from the measured time evolution and it is incorporated into the kinetic boundary condition for the Boltzmann equation. From a numerical simulation using the boundary condition, the condensation coefficient of water is uniquely deduced. The results show that, in a condition of weak condensation near a vapor-liquid equilibrium state, the condensation coefficient of water is almost equal to the evaporation coefficient estimated by molecular dynamics simulations near a vapor-liquid equilibrium state and it decreases as the system becomes a nonequilibrium state. The condensation coefficient of water is nearly identical with that of methanol [Mikami, S., Kobayashi, K., Ota, T., Fujikawa, S., Yano, T., Ichijo, M., 2006. Molecular gas dynamics approaches to interfacial phenomena accompanied with condensation. Exp. Therm. Fluid Sci. 30, 795-800].

  5. Condensation coefficient of water in a weak condensation state

    Science.gov (United States)

    Kobayashi, Kazumichi; Watanabe, Shunsuke; Yamano, Daigo; Yano, Takeru; Fujikawa, Shigeo

    2008-07-01

    The condensation coefficient of water at a vapor-liquid interface is determined by combining shock tube experiments and numerical simulations of the Gaussian-BGK Boltzmann equation. The time evolution in thickness of a liquid film, which is formed on the shock tube endwall behind the shock wave reflected at the endwall, is measured with an optical interferometer consisting of the physical beam and the reference one. The reference beam is utilized to eliminate systematic noises from the physical beam. The growth rate of the film is evaluated from the measured time evolution and it is incorporated into the kinetic boundary condition for the Boltzmann equation. From a numerical simulation using the boundary condition, the condensation coefficient of water is uniquely deduced. The results show that, in a condition of weak condensation near a vapor-liquid equilibrium state, the condensation coefficient of water is almost equal to the evaporation coefficient estimated by molecular dynamics simulations near a vapor-liquid equilibrium state and it decreases as the system becomes a nonequilibrium state. The condensation coefficient of water is nearly identical with that of methanol [Mikami, S., Kobayashi, K., Ota, T., Fujikawa, S., Yano, T., Ichijo, M., 2006. Molecular gas dynamics approaches to interfacial phenomena accompanied with condensation. Exp. Therm. Fluid Sci. 30, 795-800].

  6. Determination of corneal elasticity coefficient using the ORA database.

    Science.gov (United States)

    Avetisov, Sergei E; Novikov, Ivan A; Bubnova, Irina A; Antonov, Alexei A; Siplivyi, Vladimir I

    2010-07-01

    To propose a new approach for the study of corneal biomechanics using the Reichert Ocular Response Analyzer (ORA) database, which is based on changes in velocity retardation in the central cornea at the peak of flattening. The ORA applanation curve was analyzed using a mathematical technique, which allowed calculation of the elasticity coefficient (Ke), which is primarily characteristic of the elastic properties of the cornea. Elasticity coefficient values were obtained in patients with presumably different biomechanical properties of the cornea: "normal" cornea (71 eyes, normal group), keratoconus (34 eyes, keratoconus group), LASIK (36 eyes, LASIK group), and glaucoma with elevated and compensated intraocular pressure (lOP) (38 eyes, glaucoma group). The mean Ke value in the normal group was 11.05 +/- 1.6, and the corneal thickness correlation coefficient r2 was 0.48. In the keratoconus group, the mean Ke value was 4.91 +/- 1.87 and the corneal thickness correlation coefficient r2 was 0.47. In the LASIK group, Ke and r2 were 5.99 +/- 1.18 and 0.39, respectively. In the glaucoma group, the same eyes that experienced a two-fold reduction in lOP developed a statistically significant reduction in the Ke (1.06 times lower), whereas their corneal hysteresis value increased 1.25 times. The elasticity coefficient calculated using the ORA applanation curve can be used in the evaluation of corneal biomechanical properties.

  7. Empirical evidence for site coefficients in building code provisions

    Science.gov (United States)

    Borcherdt, R.D.

    2002-01-01

    Site-response coefficients, Fa and Fv, used in U.S. building code provisions are based on empirical data for motions up to 0.1 g. For larger motions they are based on theoretical and laboratory results. The Northridge earthquake of 17 January 1994 provided a significant new set of empirical data up to 0.5 g. These data together with recent site characterizations based on shear-wave velocity measurements provide empirical estimates of the site coefficients at base accelerations up to 0.5 g for Site Classes C and D. These empirical estimates of Fa and Fnu; as well as their decrease with increasing base acceleration level are consistent at the 95 percent confidence level with those in present building code provisions, with the exception of estimates for Fa at levels of 0.1 and 0.2 g, which are less than the lower confidence bound by amounts up to 13 percent. The site-coefficient estimates are consistent at the 95 percent confidence level with those of several other investigators for base accelerations greater than 0.3 g. These consistencies and present code procedures indicate that changes in the site coefficients are not warranted. Empirical results for base accelerations greater than 0.2 g confirm the need for both a short- and a mid- or long-period site coefficient to characterize site response for purposes of estimating site-specific design spectra.

  8. The Diffusion Coefficients Of Cu And Zn In amp913- And amp919- Solid Solutions

    Directory of Open Access Journals (Sweden)

    Adhurim Hoxha

    2015-06-01

    Full Text Available Abstract In this work the multiphase diffusion in the infinite couple Cu-Zn was studied experimentally. The diffusion couples were prepared by platting technique. The samples were annealed in three different temperatures which were taken below the melting temperature of Zn. For each temperature there were used six different annealing times ranging from 1h up to 32h. In the micrographs provided by light microscopy it can be seen the formation of only two of the three intermetalic phases present in the Cu-Zn phase diagram namely amp949- and amp947-phase. WDX EPMA analysis was used to obtain the concentration profiles of the diffusion layers.he diffusion coefficients of Cu and Zn in amp945- and amp951-solid solutions are calculated using the solutions of second Ficks law for independent concentration case. Since the diffusion coefficients depends only on the temperature of annealing and not on the time of it they must be the same for a given temperature. Therefore the diffusion coefficients were averaged for each temperature. Knowing the diffusion coefficients for each temperature enables the calculation of the activation energies and the frequency factors as well.

  9. A new formulation of the understeer coefficient to relate yaw torque and vehicle handling

    Science.gov (United States)

    Bucchi, F.; Frendo, F.

    2016-06-01

    The handling behaviour of vehicles is an important property for its relation to performance and safety. In 1970s, Pacejka did the groundwork for an objective analysis introducing the handling diagram and the understeer coefficient. In more recent years, the understeer concept is still mentioned but the handling is actively managed by direct yaw control (DYC). In this paper an accurate analysis of the vehicle handling is carried out, considering also the effect of drive forces. This analysis brings to a new formulation of the understeer coefficient, which is almost equivalent to the classical one, but it can be obtained by quasi-steady-state manoeuvres. In addition, it relates the vehicle yaw torque to the understeer coefficient, filling up the gap between the classical handling approach and DYC. A multibody model of a Formula SAE car is then used to perform quasi-steady-state simulations in order to verify the effectiveness of the new formulation. Some vehicle set-ups and wheel drive arrangements are simulated and the results are discussed. In particular, the handling behaviours of the rear wheel drive (RWD) and the front wheel drive (FWD) architectures are compared, finding an apparently surprising result: for the analysed vehicle the FWD is less understeering than for RWD. The relation between the yaw torque and the understeer coefficient allows to understand this behaviour and opens-up the possibility for different yaw control strategies.

  10. Experimental Determination of Drug Diffusion Coefficients in Unstirred Aqueous Environments by Temporally Resolved Concentration Measurements.

    Science.gov (United States)

    di Cagno, Massimiliano Pio; Clarelli, Fabrizio; Våbenø, Jon; Lesley, Christina; Rahman, Sokar Darsim; Cauzzo, Jennifer; Franceschinis, Erica; Realdon, Nicola; Stein, Paul C

    2018-04-02

    The diffusion coefficient (also known as diffusivity) of an active pharmaceutical ingredient (API) is a fundamental physicochemical parameter that affects passive diffusion through biological barriers and, as a consequence, bioavailability and biodistribution. However, this parameter is often neglected, and it is quite difficult to find diffusion coefficients of small molecules of pharmaceutical relevance in the literature. The available methods to measure diffusion coefficients of drugs all suffer from limitations that range from poor sensitivity to high selectivity of the measurements or the need for dedicated instrumentation. In this work, a simple but reliable method based on time-resolved concentration measurements by UV-visible spectroscopy in an unstirred aqueous environment was developed. This method is based on spectroscopic measurement of the variation of the local concentration of a substance during spontaneous migration of molecules, followed by standard mathematical treatment of the data in order to solve Fick's law of diffusion. This method is extremely sensitive and results in highly reproducible data. The technique was also employed to verify the influence of the environmental characteristics (i.e., ionic strength and presence of complexing agents) on the diffusivity. The method can be employed in any research laboratory equipped with a standard UV-visible spectrophotometer and could become a useful and straightforward tool in order to characterize diffusion coefficients in physiological conditions and help to better understand the drug permeability process.

  11. On the adjusting of the dynamic coefficients of tilting-pad journal bearings

    Science.gov (United States)

    Santos, Ilmar Ferreira

    1995-07-01

    This paper gives a theoretical and experimental contribution to the problem of active modification of the dynamic coefficients of tilting-pad journal bearings, aiming to increase the damping and stability of rotating systems. The theoretical studies for the calculation of the bearing coefficients are based on the fluid dynamics, specifically on the Reynolds equation, on the dynamics of multibody systems and on some concepts of the hydraulics. The experiments are carried out by means of a test rig specially designed for this investigation. The four pads of such a bearing are mounted on four flexible hydraulic chambers which are connected to a proportional valve. The chamber pressures are changed by means of the proportional value, resulting in a displacement of the pads and a modification of the bearing gap. By changing the gap, one can adjust the dynamic coefficients of the bearing. With help of an experimental procedure for identifying the bearing coefficients, theoretical and experimental results are compared and discussed. The advantages and the limitation of such hydrodynamic bearings in their controllable form are evaluated with regard to application on the high-speed machines.

  12. Exponential Reliability Coefficient based Reputation Mechanism for isolating selfish nodes in MANETs

    Directory of Open Access Journals (Sweden)

    J. Sengathir

    2015-07-01

    Full Text Available In mobile ad hoc networks, cooperation among active mobile nodes is considered to play a vital role in reliable transmission of data. But, the selfish mobile nodes present in an ad hoc environment refuse to forward neighbouring nodes’ packet for conserving its own energy. This intentional selfish behaviour drastically reduces the degree of cooperation maintained between the mobile nodes. Hence, a need arises for devising an effective mechanism which incorporates both energy efficiency and reputation into account for mitigating selfish behaviour in MANETs. In this paper, we propose an Exponential Reliability Coefficient based reputation Mechanism (ERCRM which isolates the selfish nodes from the routing path based on Exponential Reliability Coefficient (ExRC. This reliability coefficient manipulated through exponential failure rate based on moving average method highlights the most recent past behaviour of the mobile nodes for quantifying its genuineness. From the simulation results, it is evident that, the proposed ERCRM approach outperforms the existing Packet Conservation Monitoring Algorithm (PCMA and Spilt Half Reliability Coefficient based Mathematical Model (SHRCM in terms of performance evaluation metrics such as packet delivery ratio, throughput, total overhead and control overhead. Further, this ERCRM mechanism has a successful rate of 28% in isolating the selfish nodes from the routing path. Furthermore, it also aids in framing the exponential threshold point of detection as 0.4, where a maximum number of selfish nodes are identified when compared to the existing models available in the literature.

  13. Variable Eddington factors and flux-limiting diffusion coefficients

    International Nuclear Information System (INIS)

    Whalen, P.P.

    1982-01-01

    Variable Eddington factors and flux limiting diffusion coefficients arise in two common techniques of closing the moment equations of transport. The first two moment equations of the full transport equation are still frequently used to solve many problems of radiative or particle transport. An approximate analysis, developed by Levermore, exhibits the relation between the coefficients of the two different techniques. This analysis is described and then used to test the validity of several commonly used flux limiters and Eddington factors. All of the ad-hoc flux limiters have limited validity. All of the variable Eddington factors derived from some underlying description of the angular distribution function are generally valid. The use of coefficients from Minerbo's elegant maximum entropy Eddington factor analysis is suggested for use in either flux limited diffusion or variable Eddington factor equations

  14. Isothermal temperature reactivity coefficient measurement in TRIGA reactor

    International Nuclear Information System (INIS)

    Zagar, T.; Ravnik, M.; Trkov, A.

    2002-01-01

    Direct measurement of an isothermal temperature reactivity coefficient at room temperatures in TRIGA Mark II research reactor at Jozef Stefan Institute in Ljubljana is presented. Temperature reactivity coefficient was measured in the temperature range between 15 o C and 25 o C. All reactivity measurements were performed at almost zero reactor power to reduce or completely eliminate nuclear heating. Slow and steady temperature decrease was controlled using the reactor tank cooling system. In this way the temperatures of fuel, of moderator and of coolant were kept in equilibrium throughout the measurements. It was found out that TRIGA reactor core loaded with standard fuel elements with stainless steel cladding has small positive isothermal temperature reactivity coefficient in this temperature range.(author)

  15. Identification of MIMO systems with sparse transfer function coefficients

    Science.gov (United States)

    Qiu, Wanzhi; Saleem, Syed Khusro; Skafidas, Efstratios

    2012-12-01

    We study the problem of estimating transfer functions of multivariable (multiple-input multiple-output--MIMO) systems with sparse coefficients. We note that subspace identification methods are powerful and convenient tools in dealing with MIMO systems since they neither require nonlinear optimization nor impose any canonical form on the systems. However, subspace-based methods are inefficient for systems with sparse transfer function coefficients since they work on state space models. We propose a two-step algorithm where the first step identifies the system order using the subspace principle in a state space format, while the second step estimates coefficients of the transfer functions via L1-norm convex optimization. The proposed algorithm retains good features of subspace methods with improved noise-robustness for sparse systems.

  16. Determination of the diffusion coefficient of hydrogen ion in hydrogels.

    Science.gov (United States)

    Schuszter, Gábor; Gehér-Herczegh, Tünde; Szűcs, Árpád; Tóth, Ágota; Horváth, Dezső

    2017-05-17

    The role of diffusion in chemical pattern formation has been widely studied due to the great diversity of patterns emerging in reaction-diffusion systems, particularly in H + -autocatalytic reactions where hydrogels are applied to avoid convection. A custom-made conductometric cell is designed to measure the effective diffusion coefficient of a pair of strong electrolytes containing sodium ions or hydrogen ions with a common anion. This together with the individual diffusion coefficient for sodium ions, obtained from PFGSE-NMR spectroscopy, allows the determination of the diffusion coefficient of hydrogen ions in hydrogels. Numerical calculations are also performed to study the behavior of a diffusion-migration model describing ionic diffusion in our system. The method we present for one particular case may be extended for various hydrogels and diffusing ions (such as hydroxide) which are relevant e.g. for the development of pH-regulated self-healing mechanisms and hydrogels used for drug delivery.

  17. Estimation of tracer diffusion coefficients of ions in aqueous solution

    International Nuclear Information System (INIS)

    Miller, D.G.

    1982-01-01

    Equations are given for estimating tracer diffusion coefficients D/sub i/ 0 of ions at infinite dilution in terms of limiting ionic conductances Λ/sub i/ 0 . Also given are generalized Nernst-Hartley equations for binary and multicomponent diffusion coefficients D 0 and D/sub ij/ 0 , respectively, at infinite dilution. Data, estimates, and correlations for Λ/sub i/ 0 at 25 0 C and other temperatures are discussed. Estimated values of Λ/sub i/ 0 are tabulated from 0-300 0 C for ions of waste isolation interest and for ions of economic interest in geothermal brines. Estimates of their tracer diffusion coefficients at infinite dilution are tabulated. A rule of thumb, good to a factor of 2, is presented. Very limited data (available only at 25 0 C) indicate that D/sub i//D/sub i/ 0 generally declines as the concentration of salt or supporting electrolyte increases. 6 figures, 2 tables

  18. On the conversion coefficients for cosmic ray dosimetry

    CERN Document Server

    Ferrari, Alfredo

    2003-01-01

    Calculations of fluence-to-effective dose conversion coefficients have typically been limited to the standard irradiation geometries of the human body: anterior-to-posterior (AP), posterior-to-anterior (PA), lateral from the right side to the left side (RLAT), lateral from the left side to the right side (LLAT), rotational around the vertical axis (ROT), and isotropic incidence from all directions (ISO). In order to estimate the doses to air crew members exposed to cosmic radiation, the geometrical conditions of irradiation are usually assumed to be isotropic. However, the assumption of isotropic irradiation is in many cases invalid for the high energy component of the radiation field, which is often peaked in the forward direction. Therefore, it was considered useful to extend the calculations of conversion coefficients to other geometries. New sets of conversion coefficients fluence-to-effective dose are presented for the semiisotropic irradiation of the human body and for the irradiation from the top. Thei...

  19. Modification of Einstein A Coefficient in Dissipative Gas Medium

    Science.gov (United States)

    Cao, Chang-Qi; Cao, Hui; Qin, Ke-Cheng

    1996-01-01

    Spontaneous radiation in dissipative gas medium such as plasmas is investigated by Langevin equations and the modified Weisskopf-Wigner approximation. Since the refractive index of gas medium is expected to be nearly unity, we shall first neglect the medium polarization effect. We show that absorption in plasmas may in certain case modify the Einstein A coefficient significantly and cause a pit in the A coefficient-density curves for relatively low temperature plasmas and also a pit in the A coefficient-temperature curves. In the next, the effect of medium polarization is taken into account in addition. To our surprise, its effect in certain case is quite significant. The dispersive curves show different behaviors in different region of parameters.

  20. Determination of Dimensionless Attenuation Coefficient in Shaped Resonators

    Science.gov (United States)

    Daniels, C.; Steinetz, B.; Finkbeiner, J.; Raman, G.; Li, X.

    2003-01-01

    The value of dimensionless attenuation coefficient is an important factor when numerically predicting high-amplitude acoustic waves in shaped resonators. Both the magnitude of the pressure waveform and the quality factor rely heavily on this dimensionless parameter. Previous authors have stated the values used, but have not completely explained their methods. This work fully describes the methodology used to determine this important parameter. Over a range of frequencies encompassing the fundamental resonance, the pressure waves were experimentally measured at each end of the shaped resonators. At the corresponding dimensionless acceleration, the numerical code modeled the acoustic waveforms generated in the resonator using various dimensionless attenuation coefficients. The dimensionless attenuation coefficient that most closely matched the pressure amplitudes and quality factors of the experimental and numerical results was determined to be the value to be used in subsequent studies.