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......, homogeneous dielectric continuum. Grand canonical ensemble Monte Carlo calculation results for two primitive model electrolyte solutions are presented. Also, a formula involving the second moments of the total correlation functions is derived from fluctuation theory, which applies for the derivatives...... 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....
Energy Technology Data Exchange (ETDEWEB)
Zarubin, Dmitri P., E-mail: dmitri.zarubin@mtu-net.ru [Department of Physical and Collod Chemistry, Moscow State University of Technology and Management, 73 Zemlyanoi Val, Moscow 109803 (Russian Federation)
2011-08-15
Highlights: > Problem of ionic activity coefficients, determined by potentiometry, is reconsidered. > They are found to be functions of mean activity coefficients and transport numbers of ions. > The finding is verified by calculations and comparing the results with reported data. > Calculations are performed for systems with single electrolytes and binary mixtures. - Abstract: Potentiometric measurements on cells with liquid junctions are sometimes used for calculations of single-ion activity coefficients in electrolyte solutions, the incidence of this being increased recently. As surmised by Guggenheim in the 1930s, such coefficients (of ions i), {gamma}{sub i}, are actually complicated functions of mean ionic activity coefficients, {gamma}{sub {+-}}, and transport numbers of ions, t{sub i}. In the present paper specific functions {gamma}{sub i}({gamma}{sub {+-}}, t{sub i}) are derived for a number of cell types with an arbitrary mixture of strong electrolytes in a one-component solvent in the liquid-junction system. The cell types include cells with (i) identical electrodes, (ii) dissimilar electrodes reversible to the same ions, (iii) dissimilar electrodes reversible to ions of opposite charge signs, (iv) dissimilar electrodes reversible to different ions of the same charge sign, and (v) identical reference electrodes and an ion-selective membrane permeable to ions of only one type. Pairs of functions for oppositely charged ions are found to be consistent with the mean ionic activity coefficients as would be expected for pairs of the proper {gamma}{sub i} quantities by definition of {gamma}{sub {+-}}. The functions are tested numerically on some of the reported {gamma}{sub i} datasets that are the more tractable. A generally good agreement is found with data reported for cells with single electrolytes HCl and KCl in solutions, and with binary mixtures in the liquid-junction systems of KCl from the reference solutions and NaCl and HCl from the test solutions. It
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.
Activity coefficients of solutes in binary solvents
International Nuclear Information System (INIS)
Gokcen, N.A.
1982-01-01
The activity coefficients in dilute ternary systems are discussed in detail by using the Margules equations. Analyses of some relevant data at high temperatures show that the sparingly dissolved solutes in binary solvents follow complex behavior even when the binary solvents are very nearly ideal. It is shown that the activity data on the solute or the binary system cannot permit computation of the remaining activities except for the regular solutions. It is also shown that a fourth-order equation is usually adequate in expressing the activity coefficient of a solute in binary solvents at high temperatures. When the activity data for a binary solvent are difficult to obtain in a certain range of composition, the activity data for a sparingly dissolved solute can be used to supplement determination of the binary activities
Activity risk coefficients for living generations
International Nuclear Information System (INIS)
Raicevic, J.; Merkle, M.; Ninkovic, M. M.
1993-01-01
This paper deals with the new concept of the Activity risk coefficients, ARCs, which are in Probabilistic risk assessment PRA computer codes used for the calculation of the stochastic effects due to low dose exposures. As an example, ARC expressions for the Cloudshine is derived. (author)
Activity coefficient of aqueous sodium bicarbonate
Energy Technology Data Exchange (ETDEWEB)
Pitzer, Kenneth S. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Univ. of California, Berkeley, CA (United States); Peiper, J. Christopher [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Univ. of California, Berkeley, CA (United States)
1980-09-01
The determination of the activity coefficient and related properties of sodium bicarbonate presents special problems because of the appreciable vapor pressure of CO_{2} above such solutions. With the development of reliable equations for the thermodynamic properties of mixed electrolytes, it is possible to determine the parameters for NaHCO_{3} from cell measurements or NaCl-NaHCO_{3} mixtures. Literature data are analyzed to illustrate the method and provide interim values, hoever it is noted that further measurements over a wider range of concentrations would yield more definitive results. Lastly, an estimate is also given for the activity coefficient of KHCO_{3}.
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.)
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...
Activity coefficients of electrons and holes in semiconductors
International Nuclear Information System (INIS)
Orazem, M.E.; Newman, J.
1984-01-01
Dilute-solution transport equations with constant activity coefficients are commonly used to model semiconductors. These equations are consistent with a Boltzmann distribution and are invalid in regions where the species concentration is close to the respective site concentration. A more rigorous treatment of transport in a semiconductor requires activity coefficients which are functions of concentration. Expressions are presented for activity coefficients of electrons and holes in semiconductors for which conduction- and valence-band energy levels are given by the respective bandedge energy levels. These activity coefficients are functions of concentration and are thermodynamically consistent. The use of activity coefficients in macroscopic transport relationships allows a description of electron transport in a manner consistent with the Fermi-Dirac distribution
Activity coefficients from molecular simulations using the OPAS method
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.
Frictional coefficient depending on active friction radius with BPV ...
African Journals Online (AJOL)
Frictional coefficient depending on active friction radius with BPV and BTV in automobile disc braking system. ... International Journal of Engineering, Science and Technology. Journal Home · ABOUT ... AJOL African Journals Online. HOW TO ...
Overview of models allowing calculation of activity coefficients
Energy Technology Data Exchange (ETDEWEB)
Jaussaud, C.; Sorel, C
2004-07-01
Activity coefficients must be estimated to accurately quantify the extraction equilibrium involved in spent fuel reprocessing. For these calculations, binary data are required for each electrolyte over a concentration range sometimes exceeding the maximum solubility. The activity coefficients must be extrapolated to model the behavior of binary supersaturated aqueous solution. According to the bibliography, the most suitable models are based on the local composition concept. (authors)
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.
Improved single ion cyclotron resonance mass spectroscopy
International Nuclear Information System (INIS)
Boyce, K.R.
1993-01-01
The author has improved the state of the art for precision mass spectroscopy of a mass doublet to below one part in 10 10 . By alternately loading single ions into a Penning trap, the author has determined the mass ratio M(CO + )/M(N + 2 ) = 0.999 598 887 74(11), an accuracy of 1 x 10 -10 . This is a factor of 4 improvement over previous measurements, and a factor of 10 better than the 1985 atomic mass table adjustment [WAA85a]. Much of the author's apparatus has been rebuilt, increasing the signal-to-noise ratio and improving the reliability of the machine. The typical time needed to make and cool a single ion has been reduced from about half an hour to under 5 minutes. This was done by a combination of faster ion-making and a much faster procedure for driving out ions of the wrong species. The improved S/N, in combination with a much better signal processing algorithm to extract the ion phase and frequency from the author's data, has substantially reduced the time required for the actual measurements. This is important now that the measurement time is a substantial fraction of the cycle time (the time to make a new ion and measure it). The improvements allow over 30 comparisons in one night, compared to 2 per night previously. This not only improves the statistics, but eliminates the possibility of large non-Gaussian errors due to sudden magnetic field shifts
Anomalous behavior of the diffusion coefficient in thin active films
International Nuclear Information System (INIS)
Basu, Abhik; Joanny, Jean-Francois; Prost, Jacques; Jülicher, Frank
2012-01-01
Inspired by recent experiments in cell biology, we elucidate the visco-elastic properties of an active gel by studying the dynamics of a small tracer particle inside it. In a stochastic hydrodynamic approach for an active gel of finite thickness L, we calculate the mean square displacement of a particle. These particle displacements are governed by fluctuations in the velocity field. We characterize the short-time behavior when the gel is a solid as well as the limit of long times when the gel becomes a fluid and the particle shows simple diffusion. Active stresses together with local polar order give rise to velocity fluctuations that lead to characteristic behaviors of the diffusion coefficient that differ fundamentally from those found in a passive system: the diffusion coefficient can depend on system size and diverges as L approaches an instability threshold. Furthermore, the diffusion coefficient becomes independent of the particle size in this case. (paper)
Modification of van La ar activity coefficient model
International Nuclear Information System (INIS)
Vakili-Nezhaad, G. R.; Modarress, H.; Mansoori, G. A.
2001-01-01
Based on statistical and mechanical arguments, the original van La ar activity coefficient model has been improved by reasonable assumptions. This modifications has been done by replacing the van der Waals equation of state with the Redlich-K wong equation of state in the formulation of van La ar with consistent mixing rules for the energy and volume parameters of this equation of state (a mix , b mix ). Other equations of state, such as the Soave modification of the Redlich-K wong equation of state, P eng-Robinson and Mohsen-Nia, Modarress and Mansoori equations of state, have been introduced in the formulation of van La ar for the activity coefficients of the components present in the binary liquid mixtures, and their effects on the accuracy of the resultant activity coefficient models have been examined. The results of these revised models have been compared with the experimental data and it was found that the Redlich-K wong equation of state with the van der Waals mixing rules for the volume and energy parameters of this equation, is the best choice among these equations of state. In addition, it can improve the original van La ar activity coefficient model and, therefore a better agreement with the experimental data is obtained
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
Single ion implantation for single donor devices using Geiger mode detectors
International Nuclear Information System (INIS)
Bielejec, E; Seamons, J A; Carroll, M S
2010-01-01
Electronic devices that are designed to use the properties of single atoms such as donors or defects have become a reality with recent demonstrations of donor spectroscopy, single photon emission sources, and magnetic imaging using defect centers in diamond. Ion implantation, an industry standard for atom placement in materials, requires augmentation for single ion capability including a method for detecting a single ion arrival. Integrating single ion detection techniques with the single donor device construction region allows single ion arrival to be assured. Improving detector sensitivity is linked to improving control over the straggle of the ion as well as providing more flexibility in lay-out integration with the active region of the single donor device construction zone by allowing ion sensing at potentially greater distances. Using a remotely located passively gated single ion Geiger mode avalanche diode (SIGMA) detector we have demonstrated 100% detection efficiency at a distance of >75 μm from the center of the collecting junction. This detection efficiency is achieved with sensitivity to ∼600 or fewer electron-hole pairs produced by the implanted ion. Ion detectors with this sensitivity and integrated with a thin dielectric, for example a 5 nm gate oxide, using low energy Sb implantation would have an end of range straggle of -1 and 10 -4 for operation temperatures of ∼300 K and ∼77 K, respectively. Low temperature operation and reduced false, 'dark', counts are critical to achieving high confidence in single ion arrival. For the device performance in this work, the confidence is calculated as a probability of >98% for counting one and only one ion for a false count probability of 10 -4 at an average ion number per gated window of 0.015.
Improvement of the Energy Stability of the Single Ion Microbeam
International Nuclear Information System (INIS)
Zhan Furu; Qi Xuehong; Xu Mingliang; Chen Lianyun; Yu Zengliang
2008-01-01
Energy instability strongly affects the state and the beam size of the single ion microbeam. A facility based on the Generating Voltmeter was developed to improve the energy stability of the CAS-LIBB (Chinese Academy of Sciences, key laboratory of ion beam bioengineering) single ion microbeam. This paper presents the analysis of the energy instability of the single ion microbeam. A simplified theoretical model is set up to calculate the relationship between the energy instability and the beam spot size. By using this technique, the energy instability is adjusted to about 1%. Stable run-time is over 6 hours. The radius of the single ion beam is reduced by 10% compared to the previous one.
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.
Development of pulsation technique for single ion hit system
Energy Technology Data Exchange (ETDEWEB)
Sakai, Takuro; Hamano, Tsuyoshi; Hirao, Toshio; Kamiya, Tomihiro [Japan Atomic Energy Research Inst., Takasaki, Gunma (Japan). Takasaki Radiation Chemistry Research Establishment
1996-12-01
When a high energy heavy ion enters into a substance, high density of ionization and excitement occurrs along its flying trace. Especially, when such an ion enters into a semiconductor cell, a bit inversion called single event is occurred or a phenomenon destroyed element itself on case of the worst is formed. The present semiconductor cell is made in a size of some micron square, as different from its accumulated degree. In order to analyze the single event phenomenon formed by entering ion into such fine region in detail, a technique possible enter heavy ion beam with space resolution under 1 micron to each sample is necessary. In order to develop this technique, a static type high speed beam switch for control of entering a beam into a sample and a single ion detector for detecting entrance of ion into the sample were installed to heavy ion microbeam forming apparatus. The single ion hit system in Takasaki Radiation Chemistry Research Establishment, JAERI succeeded in detection and control technique of the single ion and control of noise due to pulsization and finished development of basic technique of the single ion hit, since now. After today, it is planned to hit actually the single ion onto the sample and evaluate its accuracy. (G.K.)
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
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
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...... coefficients, not significantly affected the deviations of the osmotic coefficients and activity coefficients. The average deviations of the activity coefficient does increase slightly and it was found that the increase in deviations was almost entirely due to reduced accuracy at high temperature and high...... 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...
A reliable method for the counting and control of single ions for single-dopant controlled devices
International Nuclear Information System (INIS)
Shinada, T; Kurosawa, T; Nakayama, H; Zhu, Y; Hori, M; Ohdomari, I
2008-01-01
By 2016, transistor device size will be just 10 nm. However, a transistor that is doped at a typical concentration of 10 18 atoms cm -3 has only one dopant atom in the active channel region. Therefore, it can be predicted that conventional doping methods such as ion implantation and thermal diffusion will not be available ten years from now. We have been developing a single-ion implantation (SII) method that enables us to implant dopant ions one-by-one into semiconductors until the desired number is reached. Here we report a simple but reliable method to control the number of single-dopant atoms by detecting the change in drain current induced by single-ion implantation. The drain current decreases in a stepwise fashion as a result of the clusters of displaced Si atoms created by every single-ion incidence. This result indicates that the single-ion detection method we have developed is capable of detecting single-ion incidence with 100% efficiency. Our method potentially could pave the way to future single-atom devices, including a solid-state quantum computer
Single-ion irradiation: physics, technology and applications
International Nuclear Information System (INIS)
Ohdomari, Iwao
2008-01-01
Among the various radiation effects which involve the study of radiation environments, responses of materials and devices to radiation, radiation testing and radiation hardening of devices and equipment, this review mainly considers the radiation effects induced by alpha particles and other ions used in semiconductor technology on Si crystals and Si devices. We first describe the single-ion microprobe that enables the study of the site dependence of radiation hardness in a semiconductor device. Next, we describe single-ion implantation as a tool for suppressing fluctuation in device function induced by the discrete number and random position of dopant atoms. Finally, we describe the common features associated with both 'probing' and 'modification' in terms of the nature and behaviour of defect clusters induced by single-ion irradiation. A special feature of the review is that the radiation effects discussed here are induced by 'single' particles, and not by particle beams. Although there is a great amount of accumulated data on radiation effects, they are discussed in the conventional terms of 'dose' or 'fluence,' whose unit is cm -2 . Therefore, this review provides complementary information on radiation effects. (topical review)
Effect of flow rate on the adsorption coefficient of radioactive krypton on activated carbon
International Nuclear Information System (INIS)
Sun, L.S.C.; Underhill, D.W.
1981-01-01
For some time, there have been questions relative to the effect of carrier gas velocity on the adsorption coefficient for radioactive noble gases on activated charcoal. Resolution of these questions is particularly important in terms of developing standard procedures for determining such coefficients under laboratory conditions. Studies at the Harvard Air Cleaning Laboratory appear to confirm that the adsorption coefficient for radioactive krypton on activated charcoal is independent of the velocity of the carrier gas
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.
Energy Technology Data Exchange (ETDEWEB)
Dehghani, M.R. [Department of Chemical Engineering, Amirkabir University of Technology, Tehran (Iran, Islamic Republic of) ; Modarress, H. [Department of Chemical Engineering, Amirkabir University of Technology, Tehran (Iran, Islamic Republic of) ]. E-mail: hmodares@aut.ac.ir; Monirfar, M. [Department of Chemical Engineering, Amirkabir University of Technology, Tehran (Iran, Islamic Republic of)
2006-08-15
Electrochemical measurements were made on (H{sub 2}O + NaBr + K{sub 3}PO{sub 4} + glycine) mixtures at T = 298.15 K by using ion selective electrodes. The mean ionic activity coefficients of NaBr at molality 0.1 were determined at five K{sub 3}PO{sub 4} molalities (0.01, 0.03, 0.05, 0.07, and 0.1) mol . kg{sup -1}. The activity coefficients of glycine were evaluated from mean ionic activity coefficients of NaBr. The modified Pitzer equation was used to model the experimental data.
Plastic flow produced by single ion impacts on metals
International Nuclear Information System (INIS)
Birtcher, R. C.
1998-01-01
Single ion impacts have been observed using in situ transmission electron microscopy and video recording with a time resolution of 33 milliseconds. Gold was irradiated at 50 K and room temperature. Single ion impacts produce holes, modify existing holes, and extrude material into the initial specimen hole and holes formed by other ion impacts. The same behavior is observed at both temperatures. At both temperatures, ion impacts result in craters and ejected material. Ion impacts produce more small craters than large ones for all ion masses, while heavier mass ions produce more and larger craters than lighter mass ions. This comparison is affected by the ion energy. As the energy of an ion is increased, the probability for deposition near the surface decreases and fewer craters are formed. For a given ion mass, crater production depends on the probability for displacement cascade production in the near surface region. Crater and holes are stable at room temperature, however, ion impacts near an existing crater may cause flow of material into the crater either reshaping or annihilating it. Holes and craters result from the explosive outflow of material from the molten zone of near-surface cascades. The outflow may take the form of molten material, a solid lid or an ejected particle. The surface is a major perturbation on displacement cascades resulting from ion impacts
Energy Technology Data Exchange (ETDEWEB)
Silvester, Leonard F.; Pitzer, Kenneth S.
1977-11-01
Heat of dilution and of solution data are fitted to the form of equation corresponding to that used successfully for activity and osmotic coefficients over a wide range of concentration. The resulting parameters give the change with temperature of the activity and osmotic coefficients. Results are reported for 84 electrolytes of 1-1, 2-1, 3-1, and 2-2 valence types.
Plastic Flow Induced by Single Ion Impacts on Gold
International Nuclear Information System (INIS)
Birtcher, R.C.; Donnelly, S.E.
1996-01-01
The formation of holes in thin gold foils as a result of single ion impacts by 200keV Xe ions has been followed using transmission electron microscopy. Video recording provided details of microstructure evolution with a time resolution of 1/30th sec. Hole formation involves the movement by plastic flow of massive amounts of material, on the order of tens of thousands of Au atoms per ion impact. Plastic flow, as a consequence of individual ion impacts, results in a continual filling of both holes and craters as well as a thickening of the gold foil. Changes in morphology during irradiation is attributed to a localized, thermal-spike induced melting, coupled with plastic flow of effected material under the influence of surface forces. copyright 1996 The American Physical Society
Bley, Michael; Duvail, Magali; Guilbaud, Philippe; Dufrêche, Jean-François
2017-10-19
Herein, a new theoretical method is presented for predicting osmotic equilibria and activities, where a bulk liquid and its corresponding vapor phase are simulated by means of molecular dynamics using explicit polarization. Calculated time-averaged number density profiles provide the amount of evaporated molecules present in the vapor phase and consequently the vapor-phase density. The activity of the solvent and the corresponding osmotic coefficient are determined by the vapor density at different solute concentrations with respect to the reference vapor density of the pure solvent. With the extended Debye-Hückel equation for the activity coefficient along with the corresponding Gibbs-Duhem relation, the activity coefficients of the solutes are calculated by fitting the osmotic coefficients. A simple model based on the combination of Poisson processes and Maxwell-Boltzmann velocity distributions is introduced to interpret statistical phenomena observed during the simulations, which are related to evaporation and recondensation. This method is applied to aqueous dysprosium nitrate [Dy(NO 3 ) 3 ] solutions at different concentrations. The obtained densities of the liquid bulk and the osmotic and activity coefficients are in good agreement with the experimental results for concentrated and saturated solutions. Density profiles of the liquid-vapor interface at different concentrations provide detailed insight into the spatial distributions of all compounds.
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.
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.
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
1997-12-31
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.
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 T_{g} 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 T_{g} we have managed for polyanions conducting Li^{+} is -60 °C. In contrast, polysiloxanes with PEO side chains and tetrabutylphosphonium cationic side groups have T_{g} ≈ -75 °C that barely increases with ion content, as anticipated by DFT. A survey of all polyanions in the literature suggests that T_{g} < -80 °C is needed to achieve the 10^{-4} S/cm conductivity needed for battery separators.
Ozog, J. Z.; Morrison, J. A.
1983-01-01
Presents information, laboratory procedures, and results of an undergraduate experiment in which activity coefficients for a two-component liquid-vapor system are determined. Working in pairs, students can perform the experiment with 10 solutions in a given three-hour laboratory period. (Author/JN)
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.
Single-Ion Implantation for the Development of Si-Based MOSFET Devices with Quantum Functionalities
Directory of Open Access Journals (Sweden)
Jeffrey C. McCallum
2012-01-01
Full Text Available Interest in single-ion implantation is driven in part by research into development of solid-state devices that exhibit quantum behaviour in their electronic or optical characteristics. Here, we provide an overview of international research work on single ion implantation and single ion detection for development of electronic devices for quantum computing. The scope of international research into single ion implantation is presented in the context of our own research in the Centre for Quantum Computation and Communication Technology in Australia. Various single ion detection schemes are presented, and limitations on dopant placement accuracy due to ion straggling are discussed together with pathways for scale-up to multiple quantum devices on the one chip. Possible future directions for ion implantation in quantum computing and communications are also discussed.
An automated single ion hit at JAERI heavy ion microbeam to observe individual radiation damage
International Nuclear Information System (INIS)
Kamiya, Tomihiro; Sakai, Takuro; Naitoh, Yutaka; Hamano, Tsuyoshi; Hirao, Toshio
1999-01-01
Microbeam scanning and a single ion hit technique have been combined to establish an automated beam positioning and single ion hit system at the JAERI Takasaki heavy ion microbeam system. Single ion irradiation on preset points of a sample in various patterns can be performed automatically in a short period. The reliability of the system was demonstrated using CR-39 nuclear track detectors. Single ion hit patterns were achieved with a positioning accuracy of 2 μm or less. In measurement of single event transient current using this system, the reduction of the pulse height by accumulation of radiation damages was observed by single ion injection to the same local areas. This technique showed a possibility to get some quantitative information about the lateral displacement of an individual radiation effect in silicon PIN photodiodes. This paper will give details of the irradiation system and present results from several experiments
Wang, D.; Cui, Y.
2015-12-01
The objectives of this paper are to validate the applicability of a multi-band quasi-analytical algorithm (QAA) in retrieval absorption coefficients of optically active constituents in turbid coastal waters, and to further improve the model using a proposed semi-analytical model (SAA). The ap(531) and ag(531) semi-analytically derived using SAA model are quite different from the retrievals procedures of QAA model that ap(531) and ag(531) are semi-analytically derived from the empirical retrievals results of a(531) and a(551). The two models are calibrated and evaluated against datasets taken from 19 independent cruises in West Florida Shelf in 1999-2003, provided by SeaBASS. The results indicate that the SAA model produces a superior performance to QAA model in absorption retrieval. Using of the SAA model in retrieving absorption coefficients of optically active constituents from West Florida Shelf decreases the random uncertainty of estimation by >23.05% from the QAA model. This study demonstrates the potential of the SAA model in absorption coefficients of optically active constituents estimating even in turbid coastal waters. Keywords: Remote sensing; Coastal Water; Absorption Coefficient; Semi-analytical Model
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).
Molecular radiotherapy: The NUKFIT software for calculating the time-integrated activity coefficient
Energy Technology Data Exchange (ETDEWEB)
Kletting, P.; Schimmel, S.; Luster, M. [Klinik für Nuklearmedizin, Universität Ulm, Ulm 89081 (Germany); Kestler, H. A. [Research Group Bioinformatics and Systems Biology, Institut für Neuroinformatik, Universität Ulm, Ulm 89081 (Germany); Hänscheid, H.; Fernández, M.; Lassmann, M. [Klinik für Nuklearmedizin, Universität Würzburg, Würzburg 97080 (Germany); Bröer, J. H.; Nosske, D. [Bundesamt für Strahlenschutz, Fachbereich Strahlenschutz und Gesundheit, Oberschleißheim 85764 (Germany); Glatting, G. [Medical Radiation Physics/Radiation Protection, Medical Faculty Mannheim, Heidelberg University, Mannheim 68167 (Germany)
2013-10-15
Purpose: Calculation of the time-integrated activity coefficient (residence time) is a crucial step in dosimetry for molecular radiotherapy. However, available software is deficient in that it is either not tailored for the use in molecular radiotherapy and/or does not include all required estimation methods. The aim of this work was therefore the development and programming of an algorithm which allows for an objective and reproducible determination of the time-integrated activity coefficient and its standard error.Methods: The algorithm includes the selection of a set of fitting functions from predefined sums of exponentials and the choice of an error model for the used data. To estimate the values of the adjustable parameters an objective function, depending on the data, the parameters of the error model, the fitting function and (if required and available) Bayesian information, is minimized. To increase reproducibility and user-friendliness the starting values are automatically determined using a combination of curve stripping and random search. Visual inspection, the coefficient of determination, the standard error of the fitted parameters, and the correlation matrix are provided to evaluate the quality of the fit. The functions which are most supported by the data are determined using the corrected Akaike information criterion. The time-integrated activity coefficient is estimated by analytically integrating the fitted functions. Its standard error is determined assuming Gaussian error propagation. The software was implemented using MATLAB.Results: To validate the proper implementation of the objective function and the fit functions, the results of NUKFIT and SAAM numerical, a commercially available software tool, were compared. The automatic search for starting values was successfully tested for reproducibility. The quality criteria applied in conjunction with the Akaike information criterion allowed the selection of suitable functions. Function fit
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.
Kletting, P; Schimmel, S; Kestler, H A; Hänscheid, H; Luster, M; Fernández, M; Bröer, J H; Nosske, D; Lassmann, M; Glatting, G
2013-10-01
Calculation of the time-integrated activity coefficient (residence time) is a crucial step in dosimetry for molecular radiotherapy. However, available software is deficient in that it is either not tailored for the use in molecular radiotherapy and/or does not include all required estimation methods. The aim of this work was therefore the development and programming of an algorithm which allows for an objective and reproducible determination of the time-integrated activity coefficient and its standard error. The algorithm includes the selection of a set of fitting functions from predefined sums of exponentials and the choice of an error model for the used data. To estimate the values of the adjustable parameters an objective function, depending on the data, the parameters of the error model, the fitting function and (if required and available) Bayesian information, is minimized. To increase reproducibility and user-friendliness the starting values are automatically determined using a combination of curve stripping and random search. Visual inspection, the coefficient of determination, the standard error of the fitted parameters, and the correlation matrix are provided to evaluate the quality of the fit. The functions which are most supported by the data are determined using the corrected Akaike information criterion. The time-integrated activity coefficient is estimated by analytically integrating the fitted functions. Its standard error is determined assuming Gaussian error propagation. The software was implemented using MATLAB. To validate the proper implementation of the objective function and the fit functions, the results of NUKFIT and SAAM numerical, a commercially available software tool, were compared. The automatic search for starting values was successfully tested for reproducibility. The quality criteria applied in conjunction with the Akaike information criterion allowed the selection of suitable functions. Function fit parameters and their standard
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
Directory of Open Access Journals (Sweden)
Devin W McBride
Full Text Available The activity coefficient is largely considered an empirical parameter that was traditionally introduced to correct the non-ideality observed in thermodynamic systems such as osmotic pressure. Here, the activity coefficient of free-solvent is related to physically realistic parameters and a mathematical expression is developed to directly predict the activity coefficients of free-solvent, for aqueous protein solutions up to near-saturation concentrations. The model is based on the free-solvent model, which has previously been shown to provide excellent prediction of the osmotic pressure of concentrated and crowded globular proteins in aqueous solutions up to near-saturation concentrations. Thus, this model uses only the independently determined, physically realizable quantities: mole fraction, solvent accessible surface area, and ion binding, in its prediction. Predictions are presented for the activity coefficients of free-solvent for near-saturated protein solutions containing either bovine serum albumin or hemoglobin. As a verification step, the predictability of the model for the activity coefficient of sucrose solutions was evaluated. The predicted activity coefficients of free-solvent are compared to the calculated activity coefficients of free-solvent based on osmotic pressure data. It is observed that the predicted activity coefficients are increasingly dependent on the solute-solvent parameters as the protein concentration increases to near-saturation concentrations.
International Nuclear Information System (INIS)
Vanderploeg, H.A.; Booth, R.S.
1976-01-01
Rigorous expressions are derived for the biological-rate coefficients (BRCs) determined from time-dependent measurements of three different dependent variables of radionuclide tracer experiments. These variables, which apply to a single organism, are radionuclide content, radionuclide concentration and specific activity. The BRCs derived from these variables have different mathematical expressions and, for high growth rates, their numerical values can be quite different. The precise mathematical expressions for the BRCs are presented here to aid modelers in selecting the correct parameters for their models and to aid experiments in interpreting their results. The usefulness of these three variables in quantifying elemental uptakes and losses by organisms is discussed. (U.K.)
International Nuclear Information System (INIS)
Pazuki, G.R.
2005-01-01
In this study, osmotic coefficients and water activities in aqueous solutions have been modeled using a new approach based on the Pitzer model. This model contains two physically significant ionic parameters regarding ionic solvation and the closest distance of approach between ions in a solution. The proposed model was evaluated by estimating the osmotic coefficients of nine electrolytes in aqueous solutions. The obtained results showed that the model is suitable for predicting the osmotic coefficients in aqueous electrolyte solutions. Using adjustable parameters, which have been calculated from regression between the experimental osmotic coefficient and the results of this model, the water activity coefficients of aqueous solutions were calculated. The average absolute relative deviations of the osmotic coefficients between the experimental data and the calculated results were in agreement
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.
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
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.
Energy Technology Data Exchange (ETDEWEB)
Awe, O.E., E-mail: draweoe2004@yahoo.com; Oshakuade, O.M.
2016-04-15
A new method for calculating Infinite Dilute Activity Coefficients (γ{sup ∞}s) of binary liquid alloys has been developed. This method is basically computing γ{sup ∞}s from experimental thermodynamic integral free energy of mixing data using Complex formation model. The new method was first used to theoretically compute the γ{sup ∞}s of 10 binary alloys whose γ{sup ∞}s have been determined by experiments. The significant agreement between the computed values and the available experimental values served as impetus for applying the new method to 22 selected binary liquid alloys whose γ{sup ∞}s are either nonexistent or incomplete. In order to verify the reliability of the computed γ{sup ∞}s of the 22 selected alloys, we recomputed the γ{sup ∞}s using three other existing methods of computing or estimating γ{sup ∞}s and then used the γ{sup ∞}s obtained from each of the four methods (the new method inclusive) to compute thermodynamic activities of components of each of the binary systems. The computed activities were compared with available experimental activities. It is observed that the results from the method being proposed, in most of the selected alloys, showed better agreement with experimental activity data. Thus, the new method is an alternative and in certain instances, more reliable approach of computing γ{sup ∞}s of binary liquid alloys.
International Nuclear Information System (INIS)
Noorddin Ibrahim; Rosnie Akang
2009-01-01
Full text: One of the major problems encountered during the irradiation of large inhomogeneous samples in performing activation analysis using neutron is the perturbation of the neutron field due to absorption and scattering of neutron within the sample as well as along the neutron guide in the case of prompt gamma activation analysis. The magnitude of this perturbation shown by self-shielding coefficient and flux depression depend on several factors including the average neutron energy, the size and shape of the sample, as well as the macroscopic absorption cross section of the sample. In this study, we use Monte Carlo N-Particle codes to simulate the variation of neutron self-shielding coefficient and thermal flux depression factor as a function of the macroscopic thermal absorption cross section. The simulation works was carried out using the high performance computing facility available at UTM while the experimental work was performed at the tangential beam port of Reactor TRIGA PUSPATI, Malaysia Nuclear Agency. The neutron flux measured along the beam port is found to be in good agreement with the simulated data. Our simulation results also reveal that total flux perturbation factor decreases as the value of absorption increases. This factor is close to unity for low absorbing sample and tends towards zero for strong absorber. In addition, sample with long mean chord length produces smaller flux perturbation than the shorter mean chord length. When comparing both the graphs of self-shielding factor and total disturbance, we can conclude that the total disturbance of the thermal neutron flux on the large samples is dominated by the self-shielding effect. (Author)
Ferrimagnetic Properties of Bond Dilution Mixed Blume-Capel Model with Random Single-Ion Anisotropy
International Nuclear Information System (INIS)
Liu Lei; Yan Shilei
2005-01-01
We study the ferrimagnetic properties of spin 1/2 and spin-1 systems by means of the effective field theory. The system is considered in the framework of bond dilution mixed Blume-Capel model (BCM) with random single-ion anisotropy. The investigation of phase diagrams and magnetization curves indicates the existence of induced magnetic ordering and single or multi-compensation points. Special emphasis is placed on the influence of bond dilution and random single-ion anisotropy on normal or induced magnetic ordering states and single or multi-compensation points. Normal magnetic ordering states take on new phase diagrams with increasing randomness (bond and anisotropy), while anisotropy induced magnetic ordering states are always occurrence no matter whether concentration of anisotropy is large or small. Existence and disappearance of compensation points rely strongly on bond dilution and random single-ion anisotropy. Some results have not been revealed in previous papers and predicted by Neel theory of ferrimagnetism.
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...... on a Ni thin film on Cu(100) single-crystalline surfaces. X-ray magnetic circular dichroism (XMCD) measurements performed on Au(111) samples covered with molecular monolayers held at temperatures down to 4 K suggest that the easy axes of the strongly anisotropic molecules are randomly oriented...... pathways toward optical addressing of surface-deposited single-ion magnets....
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
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.
Single-ion conducting diblock terpolymers for lithium-ion batteries
Morris, Melody; Epps, Thomas H., III
Block polymer (BP) electrolytes provide an attractive route to overcome the competing constraints of high conductivity and mechanical/thermal stability in lithium-ion batteries through nanoscale self-assembly. For example, macromolecules can be engineered such that one domain conducts lithium ions and the other prevents lithium dendrite formation. Herein, we report on the behavior of a single-ion conducting BP electrolyte that was designed to facilitate the transport of lithium ions. These polymers differ from traditional salt-doped BP electrolytes, which require the addition of a lithium salt to bestow conductivity and typically suffer from substantial counterion motion that reduces efficiency. New single-ion BPs were synthesized, and the nanoscale morphologies were determined using small angle X-ray scattering and transmission electron microscopy. Electrolyte performance was measured using AC impedance spectroscopy and DC polarization, and the results were correlated to nanoscale morphology and ion content. Enhanced physical understanding of single-ion BPs was gained by connecting the ion mobility to the chemistry, chain structure, and ion content of the single-ion BP. These studies can be applied to other charged-neutral block polymers to elucidate the effects of ion content on self-assembly and macroscopic properties.
On the single-ion Magnetic Anisotropy of the Rare-Earth Metals
DEFF Research Database (Denmark)
Kolmakova, N.P.; Tishin, A.M.; Bohr, Jakob
1996-01-01
The temperature dependences of the single-ion magnetic anisotropy constants for Tb and Dy metals are calculated in terms of the multipole moments of the rare-earth ions utilizing the available crystal-field parameters. The results are compared with the existing experimental data....
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.
A simple and rapid method for high-resolution visualization of single-ion tracks
Energy Technology Data Exchange (ETDEWEB)
Omichi, Masaaki [Department of Applied Chemistry, Graduate School of Engineering, Osaka University, Osaka 565-0871 (Japan); Center for Collaborative Research, Anan National College of Technology, Anan, Tokushima 774-0017 (Japan); Choi, Wookjin; Sakamaki, Daisuke; Seki, Shu, E-mail: seki@chem.eng.osaka-u.ac.jp [Department of Applied Chemistry, Graduate School of Engineering, Osaka University, Osaka 565-0871 (Japan); Tsukuda, Satoshi [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Sendai, Miyagi 980-8577 (Japan); Sugimoto, Masaki [Japan Atomic Energy Agency, Takasaki Advanced Radiation Research Institute, Gunma, Gunma 370-1292 (Japan)
2014-11-15
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.
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.
International Nuclear Information System (INIS)
Grambow, B.; Mueller, R.; Rother, A.
1992-01-01
Isopiestic tests at 25deg C and solubility tests as temperatures between 22 and 190deg C were used to determine solubility products and activity coefficients in the Nd-Na-Ca-Mg-Cl-MoO 4 -H 2 O system. Pitzer parameters were determined for the binary Na-MoO 4 -H 2 O and Mg-MoO 4 -H 2 O systems, the ternary Na-Cl-MoO 4 -H 2 O and the resiprocal Na-Mg-Cl-MoO 4 -H 2 O system. Solubility products K s0 were determined for MgMoO 4 x5H 2 O, CaMoO 4 x0.2H 2 O and Na 0.5 Nd 0.5 MoO 4 x0.16H 2 O; for the latter two phases the temperature dependence of solubility was determined. Isopiestic tests in concentrated binary and ternary systems with MoO 4 as a main component are consistent with solubility tests, in which MoO 4 is present only as trace component. (orig.)
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
International Nuclear Information System (INIS)
Valderrama, C.; Gamisans, X.; Heras, X. de las; Farran, A.; Cortina, J.L.
2008-01-01
Granular activated carbon (GAC) was evaluated as a suitable sorbent for polycyclic aromatic hydrocarbons (PAHs) removal from aqueous solutions. For this purpose, kinetic measurements on the extraction of a family of six PAHs were taken. A morphology study was performed by means of a scanning electron microscopy (SEM) analysis of GAC samples. Analyses of the batch rate data for each PAH were carried out using two kinetic models: the homogenous particle diffusion model (HPDM) and the shell progressive model (SPM). The process was controlled by diffusion rate the solutes (PAHs) that penetrated the reacted layer at PAH concentrations in the range of 0.2-10 mg L -1 . The effective particle diffusion coefficients (D eff ) derived from the two models were determined from the batch rate data. The Weber and Morris intraparticle diffusion model made a double contribution to the surface and pore diffusivities in the sorption process. The D eff values derived from both the HPMD and SPM equations varied from 1.1 x 10 -13 to 6.0 x 10 -14 m 2 s -1 . The simplest model, the pore diffusion model, was applied first for data analysis. The model of the next level of complexity, the surface diffusion model, was applied in order to gain a deeper understanding of the diffusion process. This model is able to explain the data, and the apparent surface diffusivities are in the same order of magnitude as the values for the sorption of functionalized aromatic hydrocarbons (phenols and sulphonates) that are described in the literature
Finite-temperature dynamic structure factor of the spin-1 XXZ chain with single-ion anisotropy
Lange, Florian; Ejima, Satoshi; Fehske, Holger
2018-02-01
Improving matrix-product state techniques based on the purification of the density matrix, we are able to accurately calculate the finite-temperature dynamic response of the infinite spin-1 XXZ chain with single-ion anisotropy in the Haldane, large-D , and antiferromagnetic phases. Distinct thermally activated scattering processes make a significant contribution to the spectral weight in all cases. In the Haldane phase, intraband magnon scattering is prominent, and the on-site anisotropy causes the magnon to split into singlet and doublet branches. In the large-D phase response, the intraband signal is separated from an exciton-antiexciton continuum. In the antiferromagnetic phase, holons are the lowest-lying excitations, with a gap that closes at the transition to the Haldane state. At finite temperatures, scattering between domain-wall excitations becomes especially important and strongly enhances the spectral weight for momentum transfer π .
Directory of Open Access Journals (Sweden)
Lorentz JÄNTSCHI
2006-01-01
Full Text Available Octanol-water partition coefficient of two hundred and six polychlorinated biphenyls was model by the use of an original method based on complex information obtained from compounds structure. The regression analysis shows that best results are obtained in four-varied model (r2 = 0.9168. The prediction ability of the model was studied through leave-one-out analysis (r2cv(loo = 0.9093 and in training and test sets analysis. Modeling the octanol-water partition coefficient of polychlorinated biphenyls by integration of complex structural information provide a stable and performing four-varied model, allowing us to make remarks about relationship between structure of polychlorinated biphenyls and associated octanol-water partition coefficients.
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
The single-ion anisotropy effects in the mixed-spin ternary-alloy
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.
DEFF Research Database (Denmark)
Abildskov, Jens; Constantinou, Leonidas; Gani, Rafiqul
1996-01-01
A simple modification of group contribution based models for estimation of liquid phase activity coefficients is proposed. The main feature of this modification is that contributions estimated from the present first-order groups in many instances are found insufficient since the first-order groups...... correlation/prediction capabilities, distinction between isomers and ability to overcome proximity effects....
Quantum phase transitions in spin-1 X X Z chains with rhombic single-ion anisotropy
Ren, Jie; Wang, Yimin; You, Wen-Long
2018-04-01
We explore numerically the inverse participation ratios in the ground state of one-dimensional spin-1 X X Z chains with the rhombic single-ion anisotropy. By employing the techniques of density-matrix renormalization group, effects of the rhombic single-ion anisotropy on various information theoretical measures are investigated, such as the fidelity susceptibility, the quantum coherence, and the entanglement entropy. Their relations with the quantum phase transitions are also analyzed. The phase transitions from the Y -Néel phase to the large-Ex or the Haldane phase can be well characterized by the fidelity susceptibility. The second-order derivative of the ground-state energy indicates all the transitions are of second order. We also find that the quantum coherence, the entanglement entropy, the Schmidt gap, and the inverse participation ratios can be used to detect the critical points of quantum phase transitions. Results drawn from these quantum information observables agree well with each other. Finally we provide a ground-state phase diagram as functions of the exchange anisotropy Δ and the rhombic single-ion anisotropy E .
Energy Technology Data Exchange (ETDEWEB)
Nami, Faezeh [Department of Chemistry, Shahid Beheshti University, G.C., Evin-Tehran 1983963113 (Iran, Islamic Republic of); Deyhimi, Farzad, E-mail: f-deyhimi@sbu.ac.i [Department of Chemistry, Shahid Beheshti University, G.C., Evin-Tehran 1983963113 (Iran, Islamic Republic of)
2011-01-15
To our knowledge, this work illustrates for the first time the ability of artificial neural network (ANN) to predict activity coefficients at infinite dilution for organic solutes in ionic liquids (ILs). Activity coefficient at infinite dilution ({gamma}{sup {infinity}}) is a useful parameter which can be used for the selection of effective solvent in the separation processes. Using a multi-layer feed-forward network with Levenberg-Marquardt optimization algorithm, the resulting ANN model generated activity coefficient at infinite dilution data over a temperature range of 298 to 363 K. The unavailable input data concerning softness (S) of organic compounds (solutes) and dipole moment ({mu}) of ionic liquids were calculated using GAMESS suites of quantum chemistry programs. The resulting ANN model and its validation are based on the investigation of up to 24 structurally different organic compounds (alkanes, alkenes, alkynes, cycloalkanes, aromatics, and alcohols) in 16 common imidazolium-based ionic liquids, at different temperatures within the range of 298 to 363 K (i.e. a total number of 914 {gamma}{sub Solute}{sup {infinity}}for each IL data point). The results show a satisfactory agreement between the predicted ANN and experimental data, where, the root mean square error (RMSE) and the determination coefficient (R{sup 2}) of the designed neural network were found to be 0.103, 0.996 for training data and 0.128, 0.994 for testing data, respectively.
International Nuclear Information System (INIS)
Nami, Faezeh; Deyhimi, Farzad
2011-01-01
To our knowledge, this work illustrates for the first time the ability of artificial neural network (ANN) to predict activity coefficients at infinite dilution for organic solutes in ionic liquids (ILs). Activity coefficient at infinite dilution (γ ∞ ) is a useful parameter which can be used for the selection of effective solvent in the separation processes. Using a multi-layer feed-forward network with Levenberg-Marquardt optimization algorithm, the resulting ANN model generated activity coefficient at infinite dilution data over a temperature range of 298 to 363 K. The unavailable input data concerning softness (S) of organic compounds (solutes) and dipole moment (μ) of ionic liquids were calculated using GAMESS suites of quantum chemistry programs. The resulting ANN model and its validation are based on the investigation of up to 24 structurally different organic compounds (alkanes, alkenes, alkynes, cycloalkanes, aromatics, and alcohols) in 16 common imidazolium-based ionic liquids, at different temperatures within the range of 298 to 363 K (i.e. a total number of 914 γ Solute ∞ for each IL data point). The results show a satisfactory agreement between the predicted ANN and experimental data, where, the root mean square error (RMSE) and the determination coefficient (R 2 ) of the designed neural network were found to be 0.103, 0.996 for training data and 0.128, 0.994 for testing data, respectively.
Activity coefficients of CaCl{sub 2} in (serine or proline + water) mixtures at T = 298.15 K
Energy Technology Data Exchange (ETDEWEB)
Ma Jingjing [School of Chemistry and Environmental Science, Henan Normal University, Xinxiang, Henan 453007 (China); Zhang Xinkuan [School of Chemistry and Environmental Science, Henan Normal University, Xinxiang, Henan 453007 (China); School of Chemistry and Chemical Engineering, Xinxiang University, Xinxiang, Henan 453003 (China); Zhuo Kelei, E-mail: lchow@mail.ucf.ed [School of Chemistry and Environmental Science, Henan Normal University, Xinxiang, Henan 453007 (China); Liu Hongxun; Wang Jianji [School of Chemistry and Environmental Science, Henan Normal University, Xinxiang, Henan 453007 (China)
2010-05-15
Activity coefficients for the (CaCl{sub 2} + amino acid + water) system were determined at a temperature of 298.15 K using ion-selective electrodes. The range of molalities of CaCl{sub 2} is (0.01 to 0.20) mol . kg{sup -1}, and that of amino acids is (0.10 to 0.40) mol . kg{sup -1}. The activity coefficients obtained from the Debye-Hueckel extended equation and the Pitzer equation are in good agreement with each other. Results show that the interactions between CaCl{sub 2} and amino acid are controlled mainly by the electrostatic interactions (attraction). Gibbs free energy interaction parameters (g{sub EA}) and salting constants (k{sub S}) are positive, indicating that these amino acids are salted out by CaCl{sub 2}. These results are discussed based on group additivity model.
Activity coefficients of CaCl{sub 2} in (maltose + water) and (lactose + water) mixtures at 298.15 K
Energy Technology Data Exchange (ETDEWEB)
Zhuo Kelei [School of Chemistry and Environmental Science, Henan Normal University, Xinxiang, Henan 453007 (China)], E-mail: klzhuo@263.net; Liu Hongxun; Zhang Honghao; Liu Yaohui; Wang Jianji [School of Chemistry and Environmental Science, Henan Normal University, Xinxiang, Henan 453007 (China)
2008-05-15
Activity coefficients of CaCl{sub 2} in disaccharide {l_brace}(maltose, lactose) + water{r_brace} mixtures at 298.15 K were determined by cell potentials. The molalities of CaCl{sub 2} ranged from about 0.01 mol . kg{sup -1} to 0.20 mol . kg{sup -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{sub ES}) and salting constants (k{sub S}) were also obtained. These were discussed in terms of the stereo-chemistry of saccharide molecules and the structural interaction model.
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
Tu, Zhengyuan; Choudhury, Snehashis; Zachman, Michael J.; Wei, Shuya; Zhang, Kaihang; Kourkoutis, Lena F.; Archer, Lynden A.
2017-01-01
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
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)
Activity coefficients of NaF in (glucose+water) and (sucrose+water) mixtures at 298.15 K
Energy Technology Data Exchange (ETDEWEB)
Hernandez-Luis, Felipe [Departamento de Quimica Fisica, Universidad de La Laguna, Tenerife (Spain)]. E-mail: ffhelu@ull.es; Galleguillos, Hector R. [Departamento de Ingenieria Quimica, Universidad de Antofagasta, Antofagasta (Chile); Vazquez, Mario V. [Instituto de Quimica, Facultad de Ciencias Exactas y Naturales, Universidad de Antioquia, Medellin (Colombia)
2004-11-01
The activity coefficients of NaF in (glucose+water) and (sucrose+water) mixtures were experimentally determined at 298.15 K from electromotive force measurements of the following electrochemical cell containing two ion selective electrodes (ISEs):Na-ISE|NaF(m),sugar(Y),H2O(100-Y)|F-ISEThe molality (m) varied between ca. 0.01 mol.kg{sup -1} and saturation, while the mass fractions of sugar in the mixture (Y) were 0, 0.10, 0.20, 0.30 and 0.40. The values for electromotive force were analyzed using different models for describing the variations of the activity coefficients with concentration, including an extended Debye-Huckel, the Pitzer and the Scatchard equations. Results obtained with the different models were in good agreement. Once E{sup -}bar was determined, the mean coefficients of ionic activity for NaF, the free energy of transference from the water to the (sugar+water) mixture, and the primary NaF hydration number were calculated. The variation of these magnitudes with the composition of the mixture is comparative discussed in terms of the ion-solvent and ion-ion interactions with results from the literature for NaCl in (glucose+water) and (sucrose+water) systems.
Heisenberg magnetic chain with single-ion easy-plane anisotropy: Hubbard operators approach
International Nuclear Information System (INIS)
Spirin, D.V.; Fridman, Y.A.
2003-01-01
We investigate the gap in excitation spectrum of one-dimensional S=1 ferro- and antiferromagnets with easy-plane single-ion anisotropy. The self-consistent modification of Hubbard operators approach which enables to account single-site term exactly is used. For antiferromagnetic model we found Haldane phase that exists up to point D=4J (where D is anisotropy parameter, J is exchange coupling), while quadrupolar phase realizes at larger values of anisotropy. Our results specify those of Golinelli et al. (Phys. Rev. B. 45 (1992) 9798), where similar model was studied. Besides the method gives gap value closer to numerical estimations than usual spin-wave theories
Quantum Heisenberg antiferromagnetic chains with exchange and single-ion anisotropies
International Nuclear Information System (INIS)
Peters, D; Selke, W; McCulloch, I P
2010-01-01
Using density matrix renormalization group calculations, ground state properties of the spin-1 Heisenberg chain with exchange and quadratic single-ion anisotropies in an external field are studied, for special choices of the two kinds of anisotropies. In particular, the phase diagram includes antiferromagnetic, spin-liquid (or spin-flop), IS2, and supersolid (or biconical) phases. Especially, new features of the spin-liquid and supersolid phases are discussed. Properties of the quantum chains are compared to those of corresponding classical spin chains.
Thermodynamics of electrolytes. III. Activity and osmotic coefficients for 2-2 electrolytes
Energy Technology Data Exchange (ETDEWEB)
Pitzer, K.S.; Mayorga, G.
1974-01-01
The peculiar behavior of 2-2 and higher valence type electrolytes is discussed in terms of various theories some of which assume, while others do not, an equilibrium between separated ions and ion pairs as distinct chemical species. It is recognized that in some cases a distinct species of inner-shell ion pairs is indicated by spectroscopic or ultrasonic data. Nevertheless, there are many advantages in representing, if possible, the properties of these electrolytes by appropriate virial coefficients and without chemical association equilibria. It is shown that this is possible and is conveniently accomplished by the addition of these equations are given for nine solutes. It is also noted that these equations have been successfully applied to mixed electrolytes involving one component of the 2-2 type. 2 figures, 1 table.
Directory of Open Access Journals (Sweden)
Cruz J. -L.
2006-11-01
Full Text Available Le calcul de certaines propriétés à l'équilibre, de systèmes électrolytiques, nécessite la connaissance des coefficients d'activité en phase liquide des constituants de ces systèmes. L'estimation du coefficient d'activité ionique moyen de l'électrolyte permet, pour des systèmes binaires, de calculer ces coefficients d'activité. Dans cette revue bibliographique sont présentées les principales expressions analytiques, de coefficients d'activité ioniques moyens, fournies par la littérature. II est possible de classer ces expressions en plusieurs grandes catégories en fonction des modèles dont elles dérivent. Des critères de choix, de l'une ou l'autre de ces équations, sont proposés suivant le type de système électrolytique et le domaine de concentration étudiés. Liquid-phase activity coefficients must be known in order to calculate various equilibrium properties of electrolytic systems. For binary systems, these coefficients can be calculated by estimating the mean ionic activity coefficient of the electrolyte. This bibliographic review describes the principal analytic equations for mean ionic activity coefficients found in the literature. These equations can be classified in several major categories according to the theoretical model from which they are derived. Some criteria are proposed for choosing one or another of these equations on the basis of the type of electrolytic system and the concentration range studied.
International Nuclear Information System (INIS)
Domanska, Urszula; Krolikowska, Marta; Acree, William E.; Baker, Gary A.
2011-01-01
Research highlights: → Measurements of activity coefficients at infinite dilution using GLC. → 36 organic solvents and water in the ionic liquid 1-ethyl-3-methylimidazolium tetracyanoborate, [EMIM][TCB]. → Possible entrainer for different separation processes. → The partial molar excess thermodynamic functions at infinite dilution were calculated. - Abstract: The activity coefficients at infinite dilution, γ 13 ∞ , for 36 solutes, including alkanes, cycloalkanes, alkenes, alkynes, aromatic hydrocarbons, alcohols, thiophene, tetrahydrofuran, ethers, acetone, and water, in the ionic liquid 1-ethyl-3-methylimidazolium tetracyanoborate, [EMIM][TCB], were determined by gas-liquid chromatography at temperatures from 298.15 K to 358.15 K. These values are compared to those previously published for selected solutes in the same ionic liquid. The values of the partial molar excess Gibbs free energy ΔG 1 E,∞ , enthalpy ΔH 1 E,∞ , and entropy ΔS 1 E,∞ at infinite dilution were calculated from the experimental γ 13 ∞ values obtained over the temperature range. Three gas-liquid partition coefficients, K L were calculated for all solutes and the Abraham solvation parameter model is discussed. The values of the selectivity for different separation problems were calculated from γ 13 ∞ and compared to literature values for N-methyl-2-pyrrolidinone (NMP), sulfolane, 1-decyl-3-methylimidazolium tetracyanoborate, [DMIM][TCB], and additional ionic liquids.
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.
Energy Technology Data Exchange (ETDEWEB)
Yokoyama, Akihito, E-mail: yokoyama.akihito@jaea.go.jp [Graduate School of Science and Technology, Gunma University, 1-5-1 Tenjin-cho, Kiryu, Gunma 376-8515 (Japan); Takasaki Advanced Radiation Research Institute (TARRI), Japan Atomic Energy Agency (JAEA), 1233 Watanuki-machi, Takasaki, Gunma 370-1292 (Japan); Kada, Wataru [Graduate School of Science and Technology, Gunma University, 1-5-1 Tenjin-cho, Kiryu, Gunma 376-8515 (Japan); Satoh, Takahiro; Koka, Masashi [Takasaki Advanced Radiation Research Institute (TARRI), Japan Atomic Energy Agency (JAEA), 1233 Watanuki-machi, Takasaki, Gunma 370-1292 (Japan); Shimada, Keisuke; Yokoata, Yuya; Miura, Kenta; Hanaizumi, Osamu [Graduate School of Science and Technology, Gunma University, 1-5-1 Tenjin-cho, Kiryu, Gunma 376-8515 (Japan)
2016-03-15
In this paper, we propose and test a real-time detection system for single-ion hits using mega-electronvolt (MeV)-heavy ions. The system was constructed using G2000 and G9 glass scintillators, as well as an electron-multiplying charge-coupled device (EMCCD) camera combined with an inverted microscope with a 10× objective lens. Commercially available G2000 and G9 glass scintillators, which have been reported to exhibit strong photoluminescence at 489, 543, 585, and 622 nm as a result of the Tb{sup 3+} f–f transition, were employed for highly accurate ionized particle detection. The EMCCD camera had a resolution of 512 × 512 pixels, each with a size of 16 μm × 16 μm, and a maximum linear gain of 8 × 10{sup 5} electrons. For 260-MeV Ne, 3 ion hits/s were detected by our system. The intensity of the ionoluminescence (IL) peak induced by the heavy ions was 140 times the noise intensity. In contrast, the luminous diameter at the full width at half maximum (FWHM) in both the horizontal and vertical directions was calculated to be approximately 4.5 μm. These results suggest that our detection system can accurately detect single-ion hits with a diameter of the order of 1 μm.
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.
Measurement of the activity coefficient of carbon in steels in liquid sodium
International Nuclear Information System (INIS)
Surville, G.
1983-06-01
In sodium cooled fast reactors carbon is both a carbon impurity and element of structural materials. Carbon transfert through liquid sodium can produce carburization or decarburization of structural materials. Carbon content in sodium is determined with thin foils of austenitic alloys, when equilibrium is reached thermodynamic activity of carbon in sodium is deduced from carbon activity in alloys. Studied alloys are FeMn 20%, FeNi 30%, Z2CN 18-10 and Z3CND17-13. Carbon activity of alloys in sodium was between 5.10 -3 and 10 -1 at 600 and 650 0 C. Calibration was obtained with the alloys FeNi 30% in gaseous mixtures He-CO-CO 2 of known activity [fr
Activity coefficients in (hydrogen chloride+holmium chloride) (aq) from T=(278.15 to 328.15) K
International Nuclear Information System (INIS)
Roy, Rabindra N.; Roy, Lakshmi N.; Tabor, Bennett J.; Richards, Sarah J.; Cummins, Mason P.; Himes, Curtis A.; Gibbs, Stephanie N.; Christiansen, Edward B.
2005-01-01
Activity coefficients of HCl in (hydrogen chloride+holmium chloride) (aq) have been calculated from the observed e.m.f.s using the Nernst equation. The temperatures ranged from (278.15 to 328.15) K at 5 K intervals and at constant total ionic strengths of (0.01, 0.025, 0.05, 0.1, 0.25, 0.5, 1.0, and 1.5) mol.kg -1 . Electromotive-force measurements were made on the cell without liquid junction of the type:Pt vertical bar H 2 (g,p=101.325kPa) vertical bar HCl(m A ),HoCl 3 (m B ) vertical bar AgCl(s), vertical bar Ag(s) The results of the activity coefficients of HCl for this mixed electrolyte mixture have been interpreted in terms of the simpler Harned's equations and the ion-interaction model of Pitzer. Results show that the quadratic term is sufficient for the full range of Y B (the ionic strength fraction of the salt) to 0.9 at all the ionic strengths studied. The Pitzer's mixing parameters S θH,Ho and Ψ H,Ho,Cl (including higher order electrostatic effects) and θ H,Ho and Ψ H,Ho,Cl (excluding higher order electrostatic effects) have been determined. These values at T=298.15 K are: S θH , Ho =0.115, Ψ H,Ho,Cl =-.071; and θ H,Ho =-.663, Ψ H,Ho,Cl =0.165. The parameters obtained in this study reproduce the activity coefficients of HCl in the mixtures within 0.015 over the entire range of ionic strengths and within 0.009 for I>=0.05 mol.kg -1 over the entire temperature range
DEFF Research Database (Denmark)
Cerda Varela, Alejandro Javier; Santos, Ilmar
2015-01-01
experimental results from the literature for industrial grade passive tilting pad bearings. This initial validation is followed by a comparison with experimental identification results obtained from a test rig featuring the active bearing design. Good overall agreement is observed in both configurations...
A fast online hit verification method for the single ion hit system at GSI
International Nuclear Information System (INIS)
Du, G.; Fischer, B.; Barberet, P.; Heiss, M.
2006-01-01
For a single ion hit facility built to irradiate specific targets inside biological cells, it is necessary to prove that the ions hit the selected targets reliably because the ion hits usually cannot be seen. That ability is traditionally tested either indirectly by aiming at pre-etched tracks in a nuclear track detector or directly by making the ion tracks inside cells visible using a stain coupled to special proteins produced in response to ion hits. However, both methods are time consuming and hits can be verified only after the experiment. This means that targeting errors in the experiment cannot be corrected during the experiment. Therefore, we have developed a fast online hit verification method that measures the targeting accuracy electronically with a spatial resolution of ±1 μm before cell irradiation takes place. (authors)
Single-ion and single-chain magnetism in triangular spin-chain oxides
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.
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
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
Soles, Christopher; Peng, Hua-Gen; Page, Kirt; Snyder, Chad; Pandy, Ashoutosh; Jeong, Youmi; Runt, James; NIST Collaboration; Pennsylvania Collaboration
2011-03-01
The application of solid polymer electrolytes in rechargeable batteries has not been fully realized after decades of research due to its low conductivity. Dramatic increases of the ion conductivity are needed and this progress requires the understanding of conduction mechanism. We address this topic in two fronts, namely, the effect of plasticizer additives and geometric confinement on the charge transfer mechanism. To this end, we combine broadband dielectric spectroscopy (BDS) to characterize the ion mobility and quasi-elastic neutron scattering (QENS) to quantify segmental motion on a single-ion model polymer electrolyte. Deuterated small molecules were used as plasticizers so that the segmental motion of the polymer electrolyte could be monitored by QENS to understand the mechanism behind the increased conductivity. Anodic aluminum oxide (AAO) membranes with well defined channel sizes are used as the matrix to study the transport of ions solvated in a 1D polymer electrolyte.
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)
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.
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.
Energy Technology Data Exchange (ETDEWEB)
Choi, B.; Choi, J. [Kwangwoon University, Seoul (Korea, Republic of); Tochigi, K.; Kojima, K. [Nihon University, Tokyo (Japan)
1996-04-20
A gas chromatographic method was used in order to measure vapor-liquid equilibria for solvent (1)-polymer (2) systems in which the polymers were polystyrene, poly(a-methyl) styrene and the advents were benzene toluene cyclohexane methylisobutylketone, ethylacetate, and vinylacetate. The activity coefficients of solvents for solvent (1)-polymer (2) systems were measured at infinite dilution and the modified ASOG (Analytical Solution of Group) model was suggested to describe vapor-liquid equilibria of those systems within a range of temperatures 423.15K through 498.15K. The model consists of the original ASOG and the free volume term. An external degree of freedom in the free volume term empirically became to a C1={alpha}+{beta}/T as a function of temperature. Each tern in the modified ASOG model is based on the weight fraction. The external degree of freedom in the model was estimated by experimental data within a range of temperatures. As a result of doing it the infinite dilution activity coefficients calculated were agreed with the experimental data within an error of 0.1%. 27 refs., 3 figs., 7 tabs.
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.
Influence of strong single-ion anisotropy on phase states of 3D and 2D frustrated magnets
International Nuclear Information System (INIS)
Fridman, Yu.A.; Kosmachev, O.A.; Matunin, D.A.; Gorelikov, G.A.; Klevets, Ph.N.
2010-01-01
We investigated the influence of strong single-ion anisotropy, exceeding exchange interaction, and frustrated exchange interaction on spin-wave excitation spectra and phase states using the Hubbard operators' technique, allowing the exact account of single-ion anisotropy. The results show that both the homogeneous phases (ferromagnetic and quadrupolar) and the spatially inhomogeneous phase (spiral structure) are possible in the 3D magnetic crystal. The region of existence of the spiral structure is considerably smaller than that in the analogues system, but with weak single-ion anisotropy. The situation is more complex in the 2D system; another spatially inhomogeneous state (the domain structure) can be realized in addition to the spiral magnetic structure. The phase diagrams for both the 3D and 2D systems were plotted.
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
Metzger, S.; Dentener, F. J.; Lelieveld, J.; Pandis, S. N.
A computationally efficient model (EQSAM) to calculate gas/aerosol partitioning ofsemi-volatile inorganic aerosol components has been developed for use in global- atmospheric chemistry and climate models; presented at the EGS 2001.We introduce and discuss here the physics behind the parameterisation, upon whichthe EQuilib- rium Simplified Aerosol Model EQSAM is based. The parameterisation,which ap- proximates the activity coefficient calculation sufficiently accurately forglobal mod- elling, is based on a method that directly relates aerosol activitycoefficients to the ambient relative humidity, assuming chemical equilibrium.It therefore provides an interesting alternative for the computationally expensiveiterative activity coefficient calculation methods presently used in thermodynamicgas/aerosol equilibrium mod- els (EQMs). The parameterisation can be used,however, also in dynamical models that calculate mass transfer between theliquid/solid aerosol phases and the gas/phase explicitly; dynamical models oftenincorporate an EQM to calculate the aerosol com- position. The gain of theparameterisation is that the entire system of the gas/aerosol equilibrium partitioningcan be solved non-iteratively, a substantial advantage in global modelling.Since we have already demonstrated at the EGS 2001 that EQSAM yields similarresults as current state-of-the-art equilibrium models, we focus here on a dis- cussionof our physical interpretation of the parameterisation; the identification of theparameters needed is crucial. Given the lag of reliable data, the best way tothor- oughly validate the parameterisation for global modelling applications is theimple- mentation in current state-of-the-art gas/aerosol partitioning routines, whichare embe- ded in e.g. a global atmospheric chemistry transport model, by comparingthe results of the parameterisation against the ones based on the widely used activitycoefficient calculation methods (i.e. Bromley, Kussik-Meissner or Pitzer). Then
Activity coefficients in (hydrogen chloride+holmium chloride) (aq) from T=(278.15 to 328.15) K
Energy Technology Data Exchange (ETDEWEB)
Roy, Rabindra N. [Hoffman Department of Chemistry, Drury University, Springfield, MO 65802 (United States)]. E-mail: rroy@drury.edu; Roy, Lakshmi N. [Hoffman Department of Chemistry, Drury University, Springfield, MO 65802 (United States); Tabor, Bennett J. [Hoffman Department of Chemistry, Drury University, Springfield, MO 65802 (United States); Richards, Sarah J. [Hoffman Department of Chemistry, Drury University, Springfield, MO 65802 (United States); Cummins, Mason P. [Hoffman Department of Chemistry, Drury University, Springfield, MO 65802 (United States); Himes, Curtis A. [Hoffman Department of Chemistry, Drury University, Springfield, MO 65802 (United States); Gibbs, Stephanie N. [Hoffman Department of Chemistry, Drury University, Springfield, MO 65802 (United States); Christiansen, Edward B. [Hoffman Department of Chemistry, Drury University, Springfield, MO 65802 (United States)
2005-07-15
Activity coefficients of HCl in (hydrogen chloride+holmium chloride) (aq) have been calculated from the observed e.m.f.s using the Nernst equation. The temperatures ranged from (278.15 to 328.15) K at 5 K intervals and at constant total ionic strengths of (0.01, 0.025, 0.05, 0.1, 0.25, 0.5, 1.0, and 1.5) mol.kg{sup -1}. Electromotive-force measurements were made on the cell without liquid junction of the type:Pt vertical bar H{sub 2}(g,p=101.325kPa) vertical bar HCl(m{sub A}),HoCl{sub 3}(m{sub B}) vertical bar AgCl(s), vertical bar Ag(s) The results of the activity coefficients of HCl for this mixed electrolyte mixture have been interpreted in terms of the simpler Harned's equations and the ion-interaction model of Pitzer. Results show that the quadratic term is sufficient for the full range of Y{sub B} (the ionic strength fraction of the salt) to 0.9 at all the ionic strengths studied. The Pitzer's mixing parameters S{sub {theta}}{sub H,Ho} and {psi}{sub H,Ho,Cl} (including higher order electrostatic effects) and {theta}{sub H,Ho} and {psi}{sub H,Ho,Cl} (excluding higher order electrostatic effects) have been determined. These values at T=298.15 K are: S{sub {theta}}{sub H},{sub Ho}=0.115, {psi}{sub H,Ho,Cl}=-.071; and {theta}{sub H,Ho}=-.663, {psi}{sub H,Ho,Cl}=0.165. The parameters obtained in this study reproduce the activity coefficients of HCl in the mixtures within 0.015 over the entire range of ionic strengths and within 0.009 for I>=0.05 mol.kg{sup -1} over the entire temperature range.
International Nuclear Information System (INIS)
Spedding, F.H.; Weber, H.O.; Saeger, V.W.; Petheram, H.H.; Rard, J.A.; Habenschuss, A.
1976-01-01
The osmotic coefficients of the aqueous trichlorides of La, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu, and Y were determined from 0.1 M to saturation at 25 0 C. Semiempirical least-squares equations were obtained for the osmotic coefficients as a function of molality and these equations were used to calculate water activities and mean molal activity coefficients. The water activities of the light rare earth chlorides at constant molalities are higher than for the heavy rare earths, while the mean molal activity coefficients are larger for the heavy rare earths than for the light ones. The above effects are discussed in terms of changes in the cationic radii and hydration of the rare earth ions
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.
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.
Single ion hit detection set-up for the Zagreb ion microprobe
Smith, R. W.; Karlušić, M.; Jakšić, M.
2012-04-01
Irradiation of materials by heavy ions accelerated in MV tandem accelerators may lead to the production of latent ion tracks in many insulators and semiconductors. If irradiation is performed in a high resolution microprobe facility, ion tracks can be ordered by submicrometer positioning precision. However, full control of the ion track positioning can only be achieved by a reliable ion hit detection system that should provide a trigger signal irrespectively of the type and thickness of the material being irradiated. The most useful process that can be utilised for this purpose is emission of secondary electrons from the sample surface that follows the ion impact. The status report of the set-up presented here is based on the use of a channel electron multiplier (CEM) detector mounted on an interchangable sample holder that is inserted into the chamber in a close geometry along with the sample to be irradiated. The set-up has been tested at the Zagreb ion microprobe for different ions and energies, as well as different geometrical arrangements. For energies of heavy ions below 1 MeV/amu, results show that efficient (100%) control of ion impact can be achieved only for ions heavier than silicon. The successful use of the set-up is demonstrated by production of ordered single ion tracks in a polycarbonate film and by monitoring fluence during ion microbeam patterning of Foturan glass.
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)
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
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.
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
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
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.
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
Energy Technology Data Exchange (ETDEWEB)
Hutny, A.; Siwka, J. [Faculty of Materials Processing Technology and Applied Physics, Technical Univ. of Czestochowa (Poland)
2003-07-01
The article presents the methodology and results of experimental studies on the solubility of nitrogen in liquid Fe-V alloys. Tests were carried out using the levitation metal melting technique. Liquid alloys of Fe-V ([%V]{sub wt.%} 1.5; 2.5; 4,0; 5.8; 7.8; 12.2; 45%) were saturated with nitrogen at temperatures of 2073, 2173, 2273 K. The partial pressure of nitrogen was varied in the range 0.001-2.5 MPa. The experiment involved melting a 1 g specimen in an electromagnetic field generated by a levitation coil, filling the reaction chamber with nitrogen up to the required pressure and heating the specimen up to a preset temperature. High nitrogen concentrations were obtained in the samples due to the formation of high nitrogen partial pressures in the gaseous phase in the reaction chamber. In such conditions, all interactions of nitrogen in the alloy tested could be disclosed, namely: nitrogen-vanadium, nitrogen-nitrogen, and nitrogen-nitrogen-vanadium interactions. The results of the tests showed a nonlinear dependence of the activity coefficient, f{sub N}, not only on vanadium content in the alloy, but also on nitrogen content in it. Using the experimental data and the findings of the previous study on the liquid Fe-N alloy, temperature relationships of inter- and self-reaction parameters have been determined. (orig.)
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
Energy Technology Data Exchange (ETDEWEB)
Nasirzadeh, Karamat E-mail: karamat.nasirzadeh@chemie.uni-regensburg.de; Neueder, Roland; Kunz, Werner
2004-06-01
Precise vapor pressure data for pure acetonitrile and (LiBr + acetonitrile) are given for temperatures ranging from T=(298.15 to 343.15) K. The molality range is from m=(0.0579 to 0.8298) mol {center_dot} kg{sup -1}. The osmotic coefficients are calculated by taking into account the second virial coefficient of acetonitrile. The parameters of the extended Pitzer ion interaction model of Archer and the mole fraction-based thermodynamic model of Clegg-Pitzer are evaluated. These models accurately reproduce the available osmotic coefficients. The parameters of the extended Pitzer ion interaction model of Archer are used to calculate the mean molal activity coefficients.
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
International Nuclear Information System (INIS)
Jiang, Lin-Kun; Wang, Li-Sheng; Du, Chao-Jun; Wang, Xue-Yuan
2014-01-01
Highlights: • Activity coefficients at infinite dilution of organic solutes in [HMIM][TFA] were determined. • The contribution of interfacial adsorption to the retention mechanism was estimated. • The partial molar excess enthalpies and the solubility parameters of [HMIM][TFA] were calculated. -- Abstract: Activity coefficients at infinite dilution for a series of organic solutes in the ionic liquid 1-hexyl-3-methylimidazolium trifluoroacetate ([HMIM][TFA]) have been determined by gas–liquid chromatography at the temperature range from (303.15 to 363.15) K. The contribution of interfacial adsorption to the retention mechanism was estimated by changing the loading of ionic liquid in stationary phase. The partial molar excess enthalpies at infinite dilution and the solubility parameters of ionic liquid were also calculated from the experimental values of activity coefficients at infinite dilution
International Nuclear Information System (INIS)
Tosaki, M.; Nakamura, M.; Hirose, M.; Matsumoto, H.
2011-01-01
A heavy-ion microbeam system for cell irradiation has been developed using an accelerator at Kyoto University. We have successfully developed proton-, carbon-, fluorine- and silicon-beams in order to irradiate a micro-meter sized area with ion counting, especially single ion irradiation. In the heavy-ion microbeam system, an imaging plate (IP) was utilized for beam diagnostics on the irradiation. The IP is widely used for radiography studies in biology. However, there are a few studies on the low linear energy transfer (LET) by single ions, i.e., low-intensity exposure. Thus we have investigated the energy response for the IP, which can be utilized for microbeam diagnostics.
Quantum phase transitions driven by rhombic-type single-ion anisotropy in the S =1 Haldane chain
Tzeng, Yu-Chin; Onishi, Hiroaki; Okubo, Tsuyoshi; Kao, Ying-Jer
2017-08-01
The spin-1 Haldane chain is an example of the symmetry-protected-topological (SPT) phase in one dimension. Experimental realization of the spin chain materials usually involves both the uniaxial-type, D (Sz)2 , and the rhombic-type, E [(Sx)2-(Sy)2] , single-ion anisotropies. Here, we provide a precise ground-state phase diagram for a spin-1 Haldane chain with these single-ion anisotropies. Using quantum numbers, we find that the Z2 symmetry breaking phase can be characterized by double degeneracy in the entanglement spectrum. Topological quantum phase transitions take place on particular paths in the phase diagram, from the Haldane phase to the large-Ex, large-Ey, or large-D phases. The topological critical points are determined by the level spectroscopy method with a newly developed parity technique in the density matrix renormalization group [Phys. Rev. B 86, 024403 (2012), 10.1103/PhysRevB.86.024403], and the Haldane-large-D critical point is obtained with an unprecedented precision, (D/J ) c=0.9684713 (1 ) . Close to this critical point, a small rhombic single-ion anisotropy |E |/J ≪1 can destroy the Haldane phase and bring the system into a y -Néel phase. We propose that the compound [Ni (HF2) (3-Clpy ) 4] BF4 is a candidate system to search for the y -Néel phase.
DEFF Research Database (Denmark)
Kontogeorgis, Georgios M.; Coutsikos, Philipos; Tassios, Dimitrios
1994-01-01
Mixtures containing exclusively normal, branched and cyclic alkanes, as well as saturated hydrocarbon polymers (e.g. poly(ethylene) and poly(isobutylene)), are known to exhibit almost athermal behavior. Several new activity coefficient models containing both combinatorial and free-volume contribu......Mixtures containing exclusively normal, branched and cyclic alkanes, as well as saturated hydrocarbon polymers (e.g. poly(ethylene) and poly(isobutylene)), are known to exhibit almost athermal behavior. Several new activity coefficient models containing both combinatorial and free...
Spin dynamics in the single-ion magnet [Er(W5O18) 2 ] 9 -
Mariani, M.; Borsa, F.; Graf, M. J.; Sanna, S.; Filibian, M.; Orlando, T.; Sabareesh, K. P. V.; Cardona-Serra, S.; Coronado, E.; Lascialfari, A.
2018-04-01
In this work we present a detailed NMR and μ+SR investigation of the spin dynamics in the new hydrated sodium salt containing the single-ion magnet [Er(W5O18) 2 ] 9 -. The 1HNMR absorption spectra at various applied magnetic fields present a line broadening on decreasing temperature which indicates a progressive spin freezing of the single-molecule magnetic moments. The onset of quasistatic local magnetic fields, due to spin freezing, is observed also in the muon relaxation curves at low temperature. Both techniques yield a local field distribution of the order of 0.1-0.2 T, which appears to be of dipolar origin. On decreasing the temperature, a gradual loss of the 1HNMR signal intensity is observed, a phenomenon known as wipe-out effect. The effect is analyzed quantitatively on the basis of a simple model which relies on the enhancement of the NMR spin-spin, T2-1, relaxation rate due to the slowing down of the magnetic fluctuations. Measurements of spin-lattice relaxation rate T1-1 for 1HNMR and of the muon longitudinal relaxation rate λ show an increase as the temperature is lowered. However, while for the NMR case the signal is lost before reaching the very slow fluctuation region, the muon spin-lattice relaxation λ can be followed until very low temperatures and the characteristic maximum, reached when the electronic spin fluctuation frequency becomes of the order of the muon Larmor frequency, can be observed. At high temperatures, the data can be well reproduced with a simple model based on a single correlation time τ =τ0exp (Δ /T ) for the magnetic fluctuations. However, to fit the relaxation data for both NMR and μ+SR over the whole temperature and magnetic field range, one has to use a more detailed model that takes into account spin-phonon transitions among the E r3 + magnetic sublevels. A good agreement for both proton NMR and μ+SR relaxation is obtained, which confirms the validity of the energy level scheme previously calculated from an
Measuring kinetics of complex single ion channel data using mean-variance histograms.
Patlak, J B
1993-07-01
The measurement of single ion channel kinetics is difficult when those channels exhibit subconductance events. When the kinetics are fast, and when the current magnitudes are small, as is the case for Na+, Ca2+, and some K+ channels, these difficulties can lead to serious errors in the estimation of channel kinetics. I present here a method, based on the construction and analysis of mean-variance histograms, that can overcome these problems. A mean-variance histogram is constructed by calculating the mean current and the current variance within a brief "window" (a set of N consecutive data samples) superimposed on the digitized raw channel data. Systematic movement of this window over the data produces large numbers of mean-variance pairs which can be assembled into a two-dimensional histogram. Defined current levels (open, closed, or sublevel) appear in such plots as low variance regions. The total number of events in such low variance regions is estimated by curve fitting and plotted as a function of window width. This function decreases with the same time constants as the original dwell time probability distribution for each of the regions. The method can therefore be used: 1) to present a qualitative summary of the single channel data from which the signal-to-noise ratio, open channel noise, steadiness of the baseline, and number of conductance levels can be quickly determined; 2) to quantify the dwell time distribution in each of the levels exhibited. In this paper I present the analysis of a Na+ channel recording that had a number of complexities. The signal-to-noise ratio was only about 8 for the main open state, open channel noise, and fast flickers to other states were present, as were a substantial number of subconductance states. "Standard" half-amplitude threshold analysis of these data produce open and closed time histograms that were well fitted by the sum of two exponentials, but with apparently erroneous time constants, whereas the mean
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.
Hardiansyah, Deni; Attarwala, Ali Asgar; Kletting, Peter; Mottaghy, Felix M; Glatting, Gerhard
2017-10-01
To investigate the accuracy of predicted time-integrated activity coefficients (TIACs) in peptide-receptor radionuclide therapy (PRRT) using simulated dynamic PET data and a physiologically based pharmacokinetic (PBPK) model. PBPK parameters were estimated using biokinetic data of 15 patients after injection of (152±15)MBq of 111 In-DTPAOC (total peptide amount (5.78±0.25)nmol). True mathematical phantoms of patients (MPPs) were the PBPK model with the estimated parameters. Dynamic PET measurements were simulated as being done after bolus injection of 150MBq 68 Ga-DOTATATE using the true MPPs. Dynamic PET scans around 35min p.i. (P 1 ), 4h p.i. (P 2 ) and the combination of P 1 and P 2 (P 3 ) were simulated. Each measurement was simulated with four frames of 5min each and 2 bed positions. PBPK parameters were fitted to the PET data to derive the PET-predicted MPPs. Therapy was simulated assuming an infusion of 5.1GBq of 90 Y-DOTATATE over 30min in both true and PET-predicted MPPs. TIACs of simulated therapy were calculated, true MPPs (true TIACs) and predicted MPPs (predicted TIACs) followed by the calculation of variabilities v. For P 1 and P 2 the population variabilities of kidneys, liver and spleen were acceptable (v10%). Treatment planning of PRRT based on dynamic PET data seems possible for the kidneys, liver and spleen using a PBPK model and patient specific information. Copyright © 2017 Associazione Italiana di Fisica Medica. Published by Elsevier Ltd. All rights reserved.
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
International Nuclear Information System (INIS)
Tonegawa, T; Okamoto, K; Sakai, T; Kaburagi, M
2009-01-01
Employing various numerical methods, we determine the ground-state phase diagram of an (S, S') = (1, 2) spin-alternating chain with antiferromagnetic nearest-neighboring exchange interactions and uniaxial single-ion anisotropies. The resulting phase diagram consists of eight kinds of phases including two phases which accompany the spontaneous breaking of the translational symmetry and a ferrimagnetic phase in which the ground-state magnetization varies continuously with the uniaxial single-ion anisotropy constants for the S=1 and S =2 spins. The appearance of these three phases is attributed to the competition between the uniaxial single-ion anisotropies of both spins.
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
DEFF Research Database (Denmark)
Santos, Ilmar; Watanabe, F. Y.
2003-01-01
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...
Osmotic and activity coefficients of {y Na2SO4 + (1 - y) ZnSO4}(aq) at T = 298.15 K
International Nuclear Information System (INIS)
Marjanovic, V.; Ninkovic, R.; Miladinovic, J.; Todorovic, M.; Pavicevic, V.
2005-01-01
The osmotic coefficients of the mixed electrolyte solution {y Na 2 SO 4 + (1 - y) ZnSO 4 }(aq) have been measured by the isopiestic method, at T = 298.5 K. The experimental results were treated by Scatchard's, Pitzer-Kim's and Clegg-Pitzer-Brimblecombe's methods for mixed-electrolyte solutions. By these methods, the activity coefficients for Na 2 SO 4 and ZnSO 4 were calculated and compared. The Scatchard interaction parameters are used for calculation of the excess Gibbs free energy as a function of ionic strength and ionic-strength fraction of Na 2 SO 4 . Also, the Zdanovskii's rule of linearity is tested
International Nuclear Information System (INIS)
Boyd, G.E.
1977-01-01
Isopiestic vapor pressure comparison measurements were conducted with the three-component system HClO 4 + UO 2 (ClO 4 ) 2 + H 2 O in the concentration range between I = 0.05 and 1.9 m. Analysis of the mixture composition and concentration dependence of the osmotic coefficients with the Scatchard neutral-electrolyte and ion-component methods and with the Pitzer ion-component methods gave equally satisfactory results. Prediction of the observed osmotic coefficients by two-component approximations was satisfactory, and the data agreed well with values estimated with a model based on the osmolal fraction. A fair concordance was also found between predicted solute activity coefficients from simple models and values derived from complete treatments which included interaction terms
Arakeri, Jaywant H.; Shukla, Ratnesh K.
2013-08-01
An analysis of the energy budget for the general case of a body translating in a stationary fluid under the action of an external force is used to define a power loss coefficient. This universal definition of power loss coefficient gives a measure of the energy lost in the wake of the translating body and, in general, is applicable to a variety of flow configurations including active drag reduction, self-propulsion and thrust generation. The utility of the power loss coefficient is demonstrated on a model bluff body flow problem concerning a two-dimensional elliptical cylinder in a uniform cross-flow. The upper and lower boundaries of the elliptic cylinder undergo continuous motion due to a prescribed reflectionally symmetric constant tangential surface velocity. It is shown that a decrease in drag resulting from an increase in the strength of tangential surface velocity leads to an initial reduction and eventual rise in the power loss coefficient. A maximum in energetic efficiency is attained for a drag reducing tangential surface velocity which minimizes the power loss coefficient. The effect of the tangential surface velocity on drag reduction and self-propulsion of both bluff and streamlined bodies is explored through a variation in the thickness ratio (ratio of the minor and major axes) of the elliptical cylinders.
Pereira, J. R. V.; Tunes, T. M.; de Arruda, A. S.; Godoy, M.
2018-06-01
In this work, we have performed Monte Carlo simulations to study a mixed spin-1 and spin-3/2 Ising ferrimagnetic system on a square lattice with two different random single-ion anisotropies. This lattice is divided in two interpenetrating sublattices with spins SA = 1 in the sublattice A and SB = 3 / 2 in the sublattice B. The exchange interaction between the spins on the sublattices is antiferromagnetic (J single-ion anisotropies, DiA and DjB , on the sublattices A and B, respectively. We have determined the phase diagram of the model in the critical temperature Tc versus strength of the random single-ion anisotropy D plane and we shown that it exhibits only second-order phase transition lines. We also shown that this system displays compensation temperatures for some cases of the random single-ion distribution.
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
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.
Energy Technology Data Exchange (ETDEWEB)
Fukuchi, K.; Miyoshi, K. [Ube National College of Technology, Yamaguchi (Japan)
1996-03-10
The infinite dilution activity coefficients of alcohols (methanol, ethanol, 1-propanol, 2-propano, 1-butanol, and 2-butanol) in heavy paraffinic hydrocarbons (hexadecane and tetradecane) were measured in the region 20-80{degree}C by a gas stripping method. The ASOG model was applied to calculate the infinite dilution activity coefficients. The infinite dilution activity coefficients can be correlated by adjusting the group interaction parameters between hydroxy and methyl groups. 8 refs., 3 figs., 4 tabs.
Fielitz, Peter; Borchardt, Günter
2016-08-10
In the dedicated literature the oxygen surface exchange coefficient KO and the equilibrium oxygen exchange rate [Fraktur R] are considered to be directly proportional to each other regardless of the experimental circumstances. Recent experimental observations, however, contradict the consequences of this assumption. Most surprising is the finding that the apparent activation energy of KO depends dramatically on the kinetic regime in which it has been determined, i.e. surface exchange controlled vs. mixed or diffusion controlled. This work demonstrates how the diffusion boundary condition at the gas/solid interface inevitably entails a correlation between the oxygen surface exchange coefficient KO and the oxygen self-diffusion coefficient DO in the bulk ("on top" of the correlation between KO and [Fraktur R] for the pure surface exchange regime). The model can thus quantitatively explain the range of apparent activation energies measured in the different regimes: in the surface exchange regime the apparent activation energy only contains the contribution of the equilibrium exchange rate, whereas in the mixed or in the diffusion controlled regime the contribution of the oxygen self-diffusivity has also to be taken into account, which may yield significantly higher apparent activation energies and simultaneously quantifies the correlation KO ∝ DO(1/2) observed for a large number of oxides in the mixed or diffusion controlled regime, respectively.
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.)
International Nuclear Information System (INIS)
Kozlowska, Marta K.; Letcher, Trevor M.; Domanska, Urszula
2004-01-01
The potential of the polar solvent, furfuryl alcohol, as a solvent in the separation of aromatics from aliphatics and other hydrocarbons, has been investigated by measuring activity coefficients at infinite dilution. The activity coefficients at infinite dilution for some alkanes, cycloalkanes, alkenes, alkynes and benzene in furfuryl alcohol have been determined by g.l.c. at T=(278.15 and 298.15) K. The method used is we believe, a more controlled and reliable method than the alternative pre-saturation method. The results have been used to calculate the selectivity factor and hence predict the potential for furfuryl alcohol as a solvent in separating aromatic compounds from aliphatic compounds and other hydrocarbons using extractive distillation. The results have been compared to the recently published work on a related polar solvent - furfural. The excess enthalpies of mixing at infinite dilution have also been calculated
International Nuclear Information System (INIS)
Lambertin, David; Ched'homme, Severine; Bourges, Gilles; Sanchez, Sylvie; Picard, Gerard S.
2005-01-01
Activity coefficients in liquid metal and salt phases are important parameters for predicting the separation efficiency of reductive extraction or electrochemical pyrochemical processes. The electrochemical properties of Ce and Pu in gallium metal and chlorides media - CaCl 2 and equimolar NaCl-KCl - have been studied at 1073 K. Cyclic voltammetry and chronoamperometry show the thermodynamic feasibility of using gallium as solvent metal for pyrochemical processes involving Pu and Ce. The activity coefficient of Pu in liquid Ga (log(γ Pu,Ga ) = -7.3 ± 0.5) is deduced from the results and is a basis of assessing the potential for using liquid metals in pyrochemical separation of actinides and lanthanides. Evaluation of literature data for Al, Bi and Cd suggests that Ga is most favorable for selective separation of Pu from Ce near 1073 K
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).
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.
Network type sp3 boron-based single-ion conducting polymer electrolytes for lithium ion batteries
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.
Surov, Alexey; Meyer, Hans Jonas; Winter, Karsten; Richter, Cindy; Hoehn, Anna-Kathrin
2018-05-04
Our purpose was to analyze associations between apparent diffusion coefficient (ADC) histogram analysis parameters and histopathologicalfeatures in head and neck squamous cell carcinoma (HNSCC). The study involved 32 patients with primary HNSCC. For every tumor, the following histogram analysis parameters were calculated: ADCmean, ADCmax, ADC min , ADC median , ADC mode , P10, P25, P75, P90, kurtosis, skewness, and entropy. Furthermore, proliferation index KI 67, cell count, total and average nucleic areas were estimated. Spearman's correlation coefficient (p) was used to analyze associations between investigated parameters. In overall sample, all ADC values showed moderate inverse correlations with KI 67. All ADC values except ADCmax correlated inversely with tumor cellularity. Slightly correlations were identified between total/average nucleic area and ADC mean , ADC min , ADC median , and P25. In G1/2 tumors, only ADCmode correlated well with Ki67. No statistically significant correlations between ADC parameters and cellularity were found. In G3 tumors, Ki 67 correlated with all ADC parameters except ADCmode. Cell count correlated well with all ADC parameters except ADCmax. Total nucleic area correlated inversely with ADC mean , ADC min , ADC median , P25, and P90. ADC histogram parameters reflect proliferation potential and cellularity in HNSCC. The associations between histopathology and imaging depend on tumor grading.
Consideration of the loss of activity in the soil for large transfer coefficients in the food chain
International Nuclear Information System (INIS)
Brenk, H.D.; Vogt, K.J.
1978-01-01
The studies have shown that in the case of large transfer coefficients there will result a considerable overestimation of the ingestion dose if nonradioactive depletion effects are neglected. This overestimation may, depending on nuclide, vegetation and transfer coefficient, amount to two orders of magnitude. There will result e.g. for the bone exposure of a grown-up person, caused by 90 Sr taken up by the consumption of root vegetables, a dose overestimation up to a factor of 50. For the dose to the kidneys of adults by 137 Cs through consumption of beef there will result an overestimation by a factor of up to 60. And for 129 I there will be obtained an infant thyroid dose from the pasture-cow-milk pathway being too large by a factor of up to 100. In order to be able to cover these cases by a sufficiently generalized formalism, too, it appears necessary therefore to modify or extend the 'Allgemeine Berechnungsgrundlagen' (German reg. guide for evaluating the exposure from environmental contamination) in the manner proposed in the paper. (orig./HP) 891 HP/orig.- 892 MB [de
International Nuclear Information System (INIS)
Rouhi, Azam; Bagherinia, Mohammad Ali
2015-01-01
Highlights: • The main goal of the work is to provide precise thermodynamic data for the system. • The method used was potentiometric method. • Pitzer ion interaction model and modified TCPC model were used. • The mass fractions of glucose were (0, 10, 20, 30 and 40)%. • The ionic strengths were from 0.0010 to 6.0000 mol · kg"−"1. - Abstract: In this work, the mean activity coefficients of MgCl_2 in pure water and (glucose + water) mixture solvent were determined using a galvanic cell without liquid junction potential of type: (Mg"2"+ + ISE)|MgCl_2 (m), glucose (wt.%), H_2O (100 wt.%)|AgCl|Ag. The measurements were performed at T = 298.15 K. Total ionic strengths were from (0.0010 to 6.0000) mol · kg"−"1. The various (glucose + water) mixed solvents contained (0, 10, 20, 30 and 40)% mass fractions percentage of glucose respectively. The mean activity coefficients measured were correlated with Pitzer ion interaction model and the Pitzer adjustable parameters were determined. Then these parameters were used to calculate the thermodynamics properties for under investigated system. The results showed that Pitzer ion interaction model can satisfactory describe the investigated system. The modified three-characteristic-parameter correlation (TCPC) model was applied to correlate the experimental activity coefficient data for under investigation electrolyte system, too.
International Nuclear Information System (INIS)
Lladosa, Estela; Arce, Alberto; Wilczek-Vera, Grazyna; Vera, Juan H.
2010-01-01
This work reports individual activity coefficients of ions at T = 298.15 K in aqueous solutions obtained from voltage values of the respective half-cell ion-selective-electrode and a single-junction Ag-AgCl reference electrode, filled with different reference solutions at different concentrations. For potassium and chloride ions in KCl aqueous solutions, reference solutions of KCl, NaCl, or CsCl were used. For sodium and chloride ions in aqueous NaCl solutions, reference solutions of CsCl were used. Experimental runs were performed at molalities (1, 2, and 3) m of the reference solution. The concentration of the sample solution was increased, starting from around 1 . 10 -3 m, up to the molality of the reference solution. The values of activity coefficients are calculated using the Henderson equation to estimate the liquid-junction potential. Results show that the ionic activity coefficients are independent of the nature and concentration of reference solution.
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.
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.
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.
International Nuclear Information System (INIS)
Domańska, Urszula; Lukoshko, Elena Vadimovna
2014-01-01
Highlights: • Measurements of activity coefficients at infinite dilution using GLC. • Sixty one organic solvents in the ionic liquid 1-butyl-1-methylmorpholinium tricyanomethanide. • High selectivity for heptane/thiophene, or pyridine, or 1-nitropropane. • The excess thermodynamic functions and the gas–liquid partition coefficients were presented. • Possible entrainer for the extraction of sulphur and nitrogen-compounds from alkanes. -- Abstract: The activity coefficients at infinite dilution, γ 13 ∞ , for 61 solutes, including alkanes, cycloalkanes, alkenes, alkynes, aromatic hydrocarbons, alcohols, water, thiophene, ethers, ketones, esters, aldehyde, acetonitrile, pyridine and 1-nitropropane in the ionic liquid (IL) 1-butyl-1-methylmorpholinium tricyanomethanide, [BMMOR][TCM] were determined by gas–liquid chromatography at six temperatures within the range of (318.15 to 368.15) 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 [BMMOR][TCM] was measured over the temperature range (288.15 to 368.15) K. The gas–liquid partition coefficient K L was calculated for all solutes. The values of selectivity and capacity for a few separation problems such 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, viz. N-methyl-2-pyrrolidinone (NMP), and sulfolane. In comparison with the previously measured values for [BMPYR][TCM], the morpholinium IL presents high selectivity for the separation of aromatic hydrocarbons from aliphatic hydrocarbons, and especially thiophene, or piridine from heptane with a slightly lower capacity. New data show that [BMMOR][TCM] IL may be proposed as an alternative solvent for the separation of
International Nuclear Information System (INIS)
Domańska, Urszula; Lukoshko, Elena Vadimovna
2013-01-01
Highlights: • Measurements of activity coefficients at infinite dilution using GLC. • 62 organic solvents and water in the ionic liquid 1-butyl-1-methylpyrrolidinium tricyanomethanide. • High capacity for thiophene, 1.37 at T = 328.15 K. • Possible entrainer for extraction of sulfur, or nitrogen compounds from fuels. • The excess thermodynamic functions and the gas–liquid partition coefficients were calculated. -- Abstract: The activity coefficients at infinite dilution, γ 13 ∞ , for 62 solutes, including alkanes, cycloalkanes, alkenes, alkynes, aromatic hydrocarbons, alcohols, water, thiophene, ethers, ketones, acetonitrile, pyridine and 1-nitropropane in the ionic liquid 1-butyl-1-methylpyrrolidinium tricyanomethanide, [BMPYR][TCM] were determined by gas–liquid chromatography at six temperatures over the range of (318.15 to 368.15) K. The partial molar excess Gibbs free energy, ΔG 1 E ∞, enthalpy ΔH 1 E ∞, and entropy term T ref ΔS 1 E ,∞ at infinite dilution were calculated from the experimental γ 13 ∞ values obtained over the temperature range. The densities of [BMPYR][TCM] were measured within temperature range from 318.15 K to 368.15 K. The gas–liquid partition coefficients, K L were calculated for all solutes. The values of selectivity for few separation problems as hexane/benzene, cyclohexane/benzene, heptane/thiophene were calculated from γ 13 ∞ and compared to literature values for N-methyl-2-pyrrolidinone (NMP), sulfolane, and other ionic liquids based on [BMPYR] + cation. In comparison with the former measured ILs, [BMPYR][TCM] present quite high selectivity for the separation of aromatic hydrocarbons and aliphatics hydrocarbons, an average capacity for benzene. The data presented here shows that [BMPYR][TCM] ionic liquid can be used as an alternative solvent for the separation of thiophene from the aliphatic hydrocarbons
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.
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.
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)
Cai, Weiwei; Zhang, Yunfeng; Li, Jing; Sun, Yubao; Cheng, Hansong
2014-04-01
Conductive processes involving lithium ions are analyzed in detail from a mechanistic perspective, and demonstrate that single ion polymeric electrolyte (SIPE) membranes can be used in lithium-ion batteries with a wide operating temperature range (25-80 °C) through systematic optimization of electrodes and electrode/electrolyte interfaces, in sharp contrast to other batteries equipped with SIPE membranes that display appreciable operability only at elevated temperatures (>60 °C). The performance is comparable to that of batteries using liquid electrolyte of inorganic salt, and the batteries exhibit excellent cycle life and rate performance. This significant widening of battery operation temperatures coupled with the inherent flexibility and robustness of the SIPE membranes makes it possible to develop thin and flexible Li-ion batteries for a broad range of applications. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Pollard, Travis P.; Beck, Thomas L.
2018-06-01
Attempts to establish an absolute single-ion hydration free energy scale have followed multiple strategies. Two central themes consist of (1) employing bulk pair thermodynamic data and an underlying interfacial-potential-free model to partition the hydration free energy into individual contributions [Marcus, Latimer, and tetraphenyl-arsonium/tetraphenyl-borate (TATB) methods] or (2) utilizing bulk thermodynamic and cluster data to estimate the free energy to insert a proton into water, including in principle an interfacial potential contribution [the cluster pair approximation (CPA)]. While the results for the hydration free energy of the proton agree remarkably well between the three approaches in the first category, the value differs from the CPA result by roughly +10 kcal/mol, implying a value for the effective electrochemical surface potential of water of -0.4 V. This paper provides a computational re-analysis of the TATB method for single-ion free energies using quasichemical theory. A previous study indicated a significant discrepancy between the free energies of hydration for the TA cation and the TB anion. We show that the main contribution to this large computed difference is an electrostatic artifact arising from modeling interactions in periodic boundaries. No attempt is made here to develop more accurate models for the local ion/solvent interactions that may lead to further small free energy differences between the TA and TB ions, but the results clarify the primary importance of interfacial potential effects for analysis of the various free energy scales. Results are also presented, related to the TATB assumption in the organic solvents dimethyl sulfoxide and 1,2-dichloroethane.
International Nuclear Information System (INIS)
Lipa, M.; Chappuis, Ph.; Dufayet, A.
2000-01-01
For the future upgrade of inner vessel components (CIEL project) a guard limiter for plasma ramp-up and disruption protection will be installed on the high field side of the vacuum vessel. Among transient heat loads, this structure has to sustain a moderate heat flux in the range of ≤0.5 MW/m 2 during quasi steady state operation (1000 s). A bolted carbon-carbon (C-C) tile is preferred compared with a brazed tile solution due to the expected moderate heat fluxes, costs and the possibility of rapid replacement of individual tiles. Large flat tile assemblies require a sufficient soft and conductive compliant layer enclosed between tile and heat sink in order to avoid thermal contact loss of the assembly during heat loads and therefore minimising the tile surface temperature. The global heat transfer coefficient (H gl ) under vacuum at low contact pressures (0.5-1.5 MPa) between C-C and CuCrZr heat sink substrata has been measured in the experimental device, installation of contact heat transfer measurements (ITTAC), using different compliant materials. It appears that the best compliant layer is a graphite sheet (PAPYEX), compared with copper-felt/foam material. As an example, a H gl number of ∼10 4 W/m 2 K at an average contact pressure of 0.5 MPa has been measured near room temperature between C-C (SEP N11) and CuCrZr substrata using a 0.5-mm thick PAPYEX layer. Thermohydraulic calculations (2D) of the guard limiter design show an expected tile surface temperature of about 550 deg. C in steady state regime for an incident heat flux of 0.5 MW/m 2
Attenuation coefficients of soils
International Nuclear Information System (INIS)
Martini, E.; Naziry, M.J.
1989-01-01
As a prerequisite to the interpretation of gamma-spectrometric in situ measurements of activity concentrations of soil radionuclides the attenuation of 60 to 1332 keV gamma radiation by soil samples varying in water content and density has been investigated. A useful empirical equation could be set up to describe the dependence of the mass attenuation coefficient upon photon energy for soil with a mean water content of 10%, with the results comparing well with data in the literature. The mean density of soil in the GDR was estimated at 1.6 g/cm 3 . This value was used to derive the linear attenuation coefficients, their range of variation being 10%. 7 figs., 5 tabs. (author)
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
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
International Nuclear Information System (INIS)
Khokhryakov, V.F.; Suslova, K.G.; Tseveloyova, I.A.; Aladova, E.E.; Filipy, R.E.
1998-01-01
This report describes a method by which potentially inhaled workplace aerosols containing plutonium compounds are classified on the basis of measured transportability in Ringer's solution. It is suggested that the criterion 'transportability' be used in the ICRP respiratory tract model. Transportability is measured as the fraction of plutonium alpha activity, deposited on a collecting filter, that passes through a semi-permeable membrane in Ringer's physiological solution during two days of dialysis. First order kinetic equations are used for explanation of dialysis results. The dissolution characteristics of alpha-active aerosols are important in interpretation of their passage from the lungs after inhalation. (author)
Energy Technology Data Exchange (ETDEWEB)
Prasad, T.E. Vittal [Properties Group, Chemical Engineering Laboratory, Indian Institute of Chemical Technology, Hyderabad 500 007 (India); Venkanna, N. [Swamy Ramanandateertha Institute of Science and Technology, Hyderabad 508 004 (India); Kumar, Y. Naveen [Swamy Ramanandateertha Institute of Science and Technology, Hyderabad 508 004 (India); Ashok, K. [Swamy Ramanandateertha Institute of Science and Technology, Hyderabad 508 004 (India); Sirisha, N.M. [Swamy Ramanandateertha Institute of Science and Technology, Hyderabad 508 004 (India); Prasad, D.H.L. [Properties Group, Chemical Engineering Laboratory, Indian Institute of Chemical Technology, Hyderabad 500 007 (India)]. E-mail: dasika@iict.res.in
2007-07-15
Bubble point temperatures at 95.23 kPa, over the entire composition range are measured for the binary mixtures formed by p-cresol with 1,2-dichloroethane, 1,1,2,2-tetrachloroethane trichloroethylene, tetrachloroethylene, and o- , m- , and p-xylenes, making use of a Swietoslawski-type ebulliometer. Liquid phase mole fraction (x {sub 1}) versus bubble point temperature (T) measurements are found to be well represented by the Wilson model. The optimum Wilson parameters are used to calculate the vapor phase composition, activity coefficients, and excess Gibbs free energy. The results are discussed.
International Nuclear Information System (INIS)
Kim, J.I.; Duschner, H.; Born, H.J.
1975-01-01
The radiochemical determination of solubilities of hardly soluble compounds of silver (Ph 4 BAg, AgCl), by means of Ag-110m in amphiprotic solutions is used for setting-up a solvent-independent scale of ion activities based on the concept of the media effect. The media effects of the salts are calculated from the solubility data of the Ag compounds in question. The splitting into the media effects of single ions takes place with the extrathermodynamic assumption of the same media effects for large ions, such as Ph 4 B - = Ph 4 As - . A standardized ion activity scale in connection with the activity coefficients for the solvent in question can be established with water as the basic state of the chemical potential. As the sum of the media effects of the single ions gives the media effect of the salt concerned, which is easily obtained from data which are experimentally accessible (solubility, vapour pressure, ion exchange ect.), this method leads to single ion activities of a large number of ions in a multitude of solvents. (orig./LH) [de
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.
International Nuclear Information System (INIS)
Órfão, Eliana Fernandes; Dohnal, Vladimír; Blahut, Aleš
2013-01-01
Highlights: • Limiting activity coefficients and gas–liquid partition coefficients for 30 VOCs were determined by GLC. • Solution thermodynamic quantities were derived and analyzed. • [MO-EMPYR][FAP] and [HO-EMIM][FAP] were identified as ILs of very low and very high cohesivity, respectively. • [HO-EMIM][FAP] is an IL of extreme H-bond acidity exhibiting superior performance for petrochemical separations. • Both studied [FAP] ILs were indicated to separate some azeotropic mixtures of alcohols with aprotic oxygenates. -- Abstract: Interactions of volatile organic compounds with two ionic liquids (ILs) containing tris(pentafluoroethyl)trifluorophosphate ([FAP]) anion and a functionalized cation, 1-(2-hydroxyethyl)-3-methylimidazolium ([HO-EMIM]) and 1-(2-methoxyethyl)-1-methylpyrrolidinium ([MO-EMPYR]), were explored through systematic GLC retention measurements. Infinite dilution activity coefficients γ 1 ∞ and gas–liquid partition coefficients K L of 30 selected solutes in [HO-EMIM][FAP] and [MO-EMPYR][FAP] were determined at five temperatures in the range from (318.15 to 353.15) K. Partial molar excess enthalpies and entropies at infinite dilution were derived from the temperature dependence of the γ 1 ∞ values. The Linear Free Energy Relationship (LFER) solvation model was used to correlate the K L values. The LFER correlation parameters and excess thermodynamic functions were analyzed to identify molecular interactions operating between the ILs and the individual solutes. By comparing the behaviors of the studied ILs and of their closely similar unfunctionalized analogs, net effects imparted by cation functionalization were also disclosed. The cohesivity of the two ILs was shown to differ dramatically: while [MO-EMPYR][FAP] ranks among ILs to the least cohesive, [HO-EMIM][FAP] belongs to the most cohesive ones. Both [HO-EMIM][FAP] and [MO-EMPYR][FAP] are capable of interacting with solutes specifically through dipolarity/polarizibility and
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.
Exactly solved mixed spin-(1,1/2) Ising–Heisenberg diamond chain with a single-ion anisotropy
International Nuclear Information System (INIS)
Lisnyi, Bohdan; Strečka, Jozef
2015-01-01
The mixed spin-(1,1/2) Ising–Heisenberg diamond chain with a single-ion anisotropy is exactly solved through the generalized decoration–iteration transformation and the transfer-matrix method. The decoration–iteration transformation is first used for establishing a rigorous mapping equivalence with the corresponding spin-1 Blume–Emery–Griffiths chain, which is subsequently exactly treated within the transfer-matrix technique. Apart from three classical ground states the model exhibits three striking quantum ground states in which a singlet-dimer state of the interstitial Heisenberg spins is accompanied either with a frustrated state or a polarized state or a non-magnetic state of the nodal Ising spins. It is evidenced that two magnetization plateaus at zero and/or one-half of the saturation magnetization may appear in low-temperature magnetization curves. The specific heat may display remarkable temperature dependences with up to three and four distinct round maxima in a zero and non-zero magnetic field, respectively. - Highlights: • Mixed spin-(1,1/2) Ising–Heisenberg diamond chain is exactly solved. • Quantum ground states with a singlet-dimer state of the Heisenberg spins are found. • Magnetization curve displays intermediate plateaus at zero and half of full magnetization. • Thermal dependences of specific heat may display up to four distinct peaks
U/Th dating by SHRIMP RG ion-microprobe mass spectrometry using single ion-exchange beads
Bischoff, J.L.; Wooden, J.; Murphy, F.; Williams, Ross W.
2005-01-01
We present a new analytical method for U-series isotopes using the SHRIMP RG (Sensitive High mass Resolution Ion MicroProbe) mass spectrometer that utilizes the preconcentration of the U-series isotopes from a sample onto a single ion-exchange bead. Ion-microprobe mass spectrometry is capable of producing Th ionization efficiencies in excess of 2%. Analytical precision is typically better than alpha spectroscopy, but not as good as thermal ionization mass spectroscopy (TIMS) and inductively coupled plasma multicollector mass spectrometry (ICP-MS). Like TIMS and ICP-MS the method allows analysis of small samples sizes, but also adds the advantage of rapidity of analysis. A major advantage of ion-microprobe analysis is that U and Th isotopes are analyzed in the same bead, simplifying the process of chemical separation. Analytical time on the instrument is ???60 min per sample, and a single instrument-loading can accommodate 15-20 samples to be analyzed in a 24-h day. An additional advantage is that the method allows multiple reanalyses of the same bead and that samples can be archived for reanalysis at a later time. Because the ion beam excavates a pit only a few ??m deep, the mount can later be repolished and reanalyzed numerous times. The method described of preconcentrating a low concentration sample onto a small conductive substrate to allow ion-microprobe mass spectrometry is potentially applicable to many other systems. Copyright ?? 2005 Elsevier Ltd.
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.
Mendel, J; Thust, R; Schwarz, H
1982-01-01
The alkylating activity, chemical stability in aqueous solution (pH 7.0; 37 degrees C), and partition coefficient (octanol/water) of the following compounds were determined: 1-methyl-3-phenyl-1-nitrosourea (MPNU), 1-ethyl-3-phenyl-1-nitrosourea (EPNU), 1-isopropyl-3-phenyl-1-nitrosourea (i-PrPNU), 1-methyl-3-(p-fluorophenyl)-1-nitrosourea (F-MPNU), 1-methyl-3-(p-chlorophenyl)-1-nitrosourea (Cl-MPNU), 1-methyl-3-(p-bromophenyl)-1-nitrosourea (Br-MPNU), 1,3-dimethyl-3-phenyl-1-nitrosourea (DMPNU), and 1-methyl-3-naphthyl-1-nitrosocarbamate (NCA). 1-Methyl-1-nitrosourea (MNU) and 1-ethyl-1-nitrosourea (ENU) were used for the comparison. THe rate of decomposition in aqueous solution is discussed concerning the influences of the substituents at the 1- and 3-N-atom. The mono- and disubstituted N-nitrosoureas showed a coarse correlation between alkylating activity and SCE induction in Chinese hamster V 79-E cells. On the other hand, this correlation is missing in the case of NCA, which is a potent SCE inducer despite relatively low alkylating activity. DMPNU is the strongest SCE inducer, but this compound shows a high stability in aqueous solution and, consequently, we were not able to detect an alkylating activity.
Energy Technology Data Exchange (ETDEWEB)
Tochigi, K.; Kurita, S.; Ohashi, M. [Yuki Gosei Kogyo Co. LTd., (Japan); Kojima, K. [Nihon University, Tokyo (Japan). Department of Industrial Chemistry
1997-09-01
Infinite dilution activity coefficients (353.15-393.15 K) of six solvents (benzene, toluene, p-xylene, cyclohexane, acetone and methylethylketone) and activity coefficient at finite concentrations (353.15 K, 373.15 K) of these solvents in poly (ethylene oxide) are measured using gas-chromatographic method. The experimental data are then correlated by a polymer-ASOG model. 18 refs., 2 figs., 3 tabs.
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
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.
Righter, K.; Pando, K.; Yang, S.; Humayun, M.
2018-01-01
Metallic cores contain light alloying elements that can be a combination of S, C, Si, and O, all of which have important chemical and physical influences. For Earth, Si may be the most abundant light element in the core. Si dissolved into Fe liquids can have a large effect on the magnitude of the activity coefficient of siderophile elements (SE), and thus the partitioning behavior of those elements between core and mantle. The effect of Si on the highly siderophile elements is only beginning to be studied and the effects on Au, Pd and Pt are significant. Here we report new experiments designed to quantify the effect of Si on the partitioning of Re between metal and silicate melt. A solid understanding of Re partitioning is required for a complete understanding of the Re-Os isotopic systems. The results will be applied to understanding the HSEs and Os isotopic data for planetary mantles, and especially Earth.
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
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A. M. Elias
Full Text Available ABSTRACT The activity coefficient at infinite dilution (&IN1 and distribution ratios at infinite dilution (&IN2 were determined for alkanols (methanol, ethanol, 1-propanol, 1-butanol, 2-butanol, and 2-methyl-2-propanol in the ionic liquid (IL 1-butyl-3-methylimidazolium methyl sulfate ([BMIM][CH3SO4] by HS-SPME (Headspace - Solid Phase Micro Extraction at four temperatures (298.15, 313.15, 333.15, and 353.15K using headspace - solid phase microextraction (SPME-HS. The results showed significant agreement with literature data. In addition, partial molar excess enthalpies at infinite dilution (&IN3, excess Gibbs energies (&IN4, and excess entropies (&IN5 were calculated from the (&IN6 values.
Energy Technology Data Exchange (ETDEWEB)
Domanska, Urszula [Physical Chemistry Department, Faculty of Chemistry, Warsaw University of Technology, Noakowskiego 3, 00-664 Warsaw (Poland)], E-mail: ula@ch.pw.edu.pl; Marciniak, Andrzej [Physical Chemistry Department, Faculty of Chemistry, Warsaw University of Technology, Noakowskiego 3, 00-664 Warsaw (Poland)
2009-12-15
The activity coefficients at infinite dilution, {gamma}{sub 13}{sup {infinity}} for 36 solutes: alkanes, cycloalkanes, alkenes, alkynes, aromatic hydrocarbons, alcohols, thiophene, tetrahydrofuran, ethers, acetone, and water in the ionic liquid 4-methyl-N-butyl-pyridinium bis(trifluoromethylsulfonyl)-imide [bmPY][NTf{sub 2}] were determined by gas-liquid chromatography at temperatures from 298.15 K to 368.15 K. The partial molar excess enthalpies at infinite dilution values {delta}H{sub 1}{sup E,{infinity}} were calculated from the experimental {gamma}{sub 13}{sup {infinity}} values obtained over the temperature range. The selectivity for different separation problems were calculated from the {gamma}{sub 13}{sup {infinity}} and compared to the literature values for other ionic liquids, N-methyl-2-pyrrolidinone (NMP) and sulfolane.
International Nuclear Information System (INIS)
Domanska, Urszula; Marciniak, Andrzej
2009-01-01
The activity coefficients at infinite dilution, γ 13 ∞ for 36 solutes: alkanes, cycloalkanes, alkenes, alkynes, aromatic hydrocarbons, alcohols, thiophene, tetrahydrofuran, ethers, acetone, and water in the ionic liquid 4-methyl-N-butyl-pyridinium bis(trifluoromethylsulfonyl)-imide [bmPY][NTf 2 ] were determined by gas-liquid chromatography at temperatures from 298.15 K to 368.15 K. The partial molar excess enthalpies at infinite dilution values ΔH 1 E,∞ were calculated from the experimental γ 13 ∞ values obtained over the temperature range. The selectivity for different separation problems were calculated from the γ 13 ∞ and compared to the literature values for other ionic liquids, N-methyl-2-pyrrolidinone (NMP) and sulfolane.
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.
Energy Technology Data Exchange (ETDEWEB)
Marciniak, Andrzej, E-mail: a.marciniak@ch.pw.edu.pl [Department of Physical Chemistry, Faculty of Chemistry, Warsaw University of Technology, Noakowskiego 3, 00-664 Warsaw (Poland)
2011-10-15
Highlights: > The {gamma}{sub 13}{sup {infinity}} and KL for 46 solutes in the ionic liquid [N-C3OHPY][NTf2] were determined by GLC at different temperatures. > The partial molar excess Gibbs energies {Delta}G{sub 1}{sup E,{infinity}}, enthalpies {Delta}H{sub 1}{sup E,{infinity}} and entropies {Delta}S{sub 1}{sup E,{infinity}} at infinite dilution were calculated. > The selectivities for aliphatics/aromatics hydrocarbons separation problem were calculated and compared to other ILs, NMP and sulfolane. > The selectivities for selected compounds which form azeotropic mixtures were calculated. - Abstract: The activity coefficients at infinite dilution, {gamma}{sub 13}{sup {infinity}} and gas-liquid partition coefficients, K{sub L} for 46 solutes: alkanes, alkenes, alkynes, cycloalkanes, aromatic hydrocarbons, alcohols, thiophene, ethers, ketones, acetic acid, and water in the ionic liquid 1-(3-hydroxypropyl)pyridinium bis(trifluoromethylsulfonyl)-amide were determined by gas-liquid chromatography at the temperatures from (308.15 to 378.15) K. The partial molar excess Gibbs free energies {Delta}G{sub 1}{sup E,{infinity}}, enthalpies {Delta}H{sub 1}{sup E,{infinity}} and entropies {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 selectivities for aliphatic/aromatic hydrocarbons separation problem were calculated from the {gamma}{sub 13}{sup {infinity}} and compared to the literature values for other ionic liquids based on bis(trifluoromethylsulfonyl)-amide anion, NMP and sulfolane. It was found that the investigated ionic liquid shows much higher selectivity at infinite dilution than the general used organic solvents such as NMP, sulfolane and other ionic liquids. Additionally the selectivities for selected compounds which form azeotropic mixtures were calculated.
International Nuclear Information System (INIS)
Marciniak, Andrzej
2011-01-01
Highlights: → The γ 13 ∞ and KL for 46 solutes in the ionic liquid [N-C3OHPY][NTf2] were determined by GLC at different temperatures. → The partial molar excess Gibbs energies ΔG 1 E,∞ , enthalpies ΔH 1 E,∞ and entropies ΔS 1 E,∞ at infinite dilution were calculated. → The selectivities for aliphatics/aromatics hydrocarbons separation problem were calculated and compared to other ILs, NMP and sulfolane. → The selectivities for selected compounds which form azeotropic mixtures were calculated. - Abstract: The activity coefficients at infinite dilution, γ 13 ∞ and gas-liquid partition coefficients, K L for 46 solutes: alkanes, alkenes, alkynes, cycloalkanes, aromatic hydrocarbons, alcohols, thiophene, ethers, ketones, acetic acid, and water in the ionic liquid 1-(3-hydroxypropyl)pyridinium bis(trifluoromethylsulfonyl)-amide were determined by gas-liquid chromatography at the temperatures from (308.15 to 378.15) 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 aliphatic/aromatic hydrocarbons separation problem were calculated from the γ 13 ∞ and compared to the literature values for other ionic liquids based on bis(trifluoromethylsulfonyl)-amide anion, NMP and sulfolane. It was found that the investigated ionic liquid shows much higher selectivity at infinite dilution than the general used organic solvents such as NMP, sulfolane and other ionic liquids. Additionally the selectivities for selected compounds which form azeotropic mixtures were calculated.
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.
International Nuclear Information System (INIS)
Bretti, Clemente; Cigala, Rosalia Maria; Crea, Francesco; Lando, Gabriele; Sammartano, Silvio
2014-01-01
Graphical abstract: Trend of the deferiprone protonation constant (log K 1 H ) vs. ionic strength (in the molal concentration scale) in NaCl (□), KCl (Δ) and (CH 3 ) 4 NCl (○), at T = 298.15 K. - Highlights: • Thermodynamics, solubility and distribution of deferiprone in NaCl, KCl and (CH 3 ) 4 NCl. • Deferiprone total solubility is 0.100 mol · dm −3 in pure water and shows salting out. • The protonation process is entropic for the first step and enthalpic for the second. • Debye–Hückel, SIT and Pitzer approaches used for modelling of protonation constants. • Formation constants of three weak species were determined, Nadef, Kdef and H 2 defCl. - Abstract: The acid base properties of 1,2-dimethyl-3-hydroxypyridin-4-one (also known as deferiprone, def, figure 1), together with the solubility and the distribution ratio have been studied potentiometrically at different temperatures and ionic strengths in NaCl, KCl and in (CH 3 ) 4 NCl aqueous solutions. The total solubility of deferiprone is fairly high (0.100 mol · dm −3 in pure water) and decreases with increasing salt concentration (salting out effect); this behaviour is greater in NaCl than in (CH 3 ) 4 NCl aqueous solutions. From the analysis of the solubility and the distribution measurements it was possible to determine the Setschenow and the activity coefficients of the neutral species. Deferiprone shows two protonation steps, whose protonation constants are logK 1 H =10.088 and logK 2 H =3.656 at infinite dilution and T = 298.15 K. The ionic strength dependence of the protonation constants was interpreted both in terms of variation of the activity coefficients, using the Debye–Hückel, the SIT (Specific ion Interaction Theory) and the Pitzer approaches, or considering the formation of weak species with the ions of the supporting electrolyte (e.g. Na + , K + and Cl − ). Moreover, temperature gradients were provided for the two protonation constants. The stepwise protonation enthalpy
International Nuclear Information System (INIS)
Arantes Furtado, Filipe; Vieira Coelho, Gerson Luiz
2012-01-01
Highlights: ► Two approaches were proposed using SPME on determination of infinite dilution activity coefficients. ► Infinite dilution activity coefficients of nine solutes in solvent furfural at T = (298.15, 308.15, and 318.15) K. ► Fiber–gas partition coefficients of nine solutes on PDMS at T = (298.15, 308.15, and 318.15) K. ► Optical microscopy analysis and statistical tests to measure possible damages on fiber coating. ► Advantages and limitations of methodology proposed were discussed. - Abstract: A new methodology using the headspace solid phase microextraction (HS-SPME) technique has been used to evaluate the infinite dilution activity coefficient (γ 12 ∞ ) of nine hydrocarbons (alkanes, cycloalkanes, and aromatics) in furfural solvent. The main objective of this study was to validate a faster and lower cost methodology expanding the use of HS-SPME to determine infinite dilution activity of solutes in organic solvents. Two approaches were proposed for the determination of γ 12 ∞ in order to use this technique (HS-SPME). In addition, the fiber–gas partition coefficients (K fg ) for each analyte at each of the studied temperatures were determined. The activity and partition coefficients have been reported at temperatures of (298.15, 308.15, and 318.15) K. The data were compared with the literature infinite dilution data determined by other methods such as liquid–gas chromatography (GLC) and gas stripping. Partial molar excess enthalpies of mixing at infinite dilution for each solute have been determined. The fibers were tested before and after each experiment, using statistical methods to ensure that their properties do not change during the experiments. The fibers were also analyzed by optical microscopy to evaluate possible surface damage by comparing them with new fibers. The activity coefficient values correlated well with the data in the literature and showed average deviations less than 10%.
Energy Technology Data Exchange (ETDEWEB)
Miladinovic, J; Ninkovic, R; Todorovic, M; Rard, J A
2007-06-06
Isopiestic vapor pressure measurements were made for {l_brace}yMgCl{sub 2} + (1-y)MgSO{sub 4}{r_brace}(aq) solutions with MgCl{sub 2} ionic strength fractions of y = 0, 0.1997, 0.3989, 0.5992, 0.8008, and (1) at the temperature 298.15 K, using KCl(aq) as the reference standard. These measurements for the mixtures cover the ionic strength range I = 0.9794 to 9.4318 mol {center_dot} kg{sup -1}. In addition, isopiestic measurements were made with NaCl(aq) as reference standard for mixtures of {l_brace}xNa{sub 2}SO{sub 4} + (1-x)MgSO{sub 4}{r_brace}(aq) with the molality fraction x = 0.50000 that correspond to solutions of the evaporite mineral bloedite (astrakanite), Na{sub 2}Mg(SO{sub 4}){sub 2} {center_dot} 4H{sub 2}O(cr). The total molalities, m{sub T} = m(Na{sub 2}SO{sub 4}) + m(MgSO{sub 4}), range from m{sub T} = 1.4479 to 4.4312 mol {center_dot} kg{sup -1} (I = 5.0677 to 15.509 mol {center_dot} kg{sup -1}), where the uppermost concentration is the highest oversaturation molality that could be achieved by isothermal evaporation of the solvent at 298.15 K. The parameters of an extended ion-interaction (Pitzer) model for MgCl2(aq) at 298.15 K, which were required for an analysis of the {l_brace}yMgCl{sub 2} + (1-y)MgSO{sub 4}{r_brace}(aq) mixture results, were evaluated up to I = 12.025 mol {center_dot} kg{sup -1} from published isopiestic data together with the six new osmotic coefficients obtained in this study. Osmotic coefficients of {l_brace}yMgCl{sub 2} + (1-y)MgSO{sub 4}{r_brace}(aq) solutions from the present study, along with critically-assessed values from previous studies, were used to evaluate the mixing parameters of the extended ion-interaction model.
International Nuclear Information System (INIS)
Shu Seki; Satoshi Tsukuda, Yoichi Yoshida; Seiichi Tagawa; Masaki Sugimoto; Shigeru Tanaka
2002-01-01
1-D nano-sized materials such as carbon nanotubes have attracted much attention as ideal quantum wires for future manufacturing techniques of nano-scaled opto-electronic devices. However it is still difficult to control the sizes, spatial distributions, or positions of nanotubes by conventional synthetic techniques to date. The MeV order heavy ion beams causes ultra-high density energy deposition which can not be realized by any other techniques (lasers, H, etc), and penetrate the polymer target straighforward as long as 1∼100 m depth. the energy deposited area produces non-homogeneous field can be controlled by changing the energy deposition rate of incident ions (LET: linear energy transfer, eV/nm). We found that cross-linking reaction of polysilane derivatives was predominantly caused and gave nano-gel in the chemical core, unlike main chain scission occurring at the outside of the area. high density energy deposition by ion beams causes non-homogeneous crosslinking reaction of polysilane derivatives within a nano-sized cylindrical area along an ion trajectory, and gives -SiC based nano-wires of which sizes (length, thickness) and number densities are completely under control by changing the parameters of incident ion beams and molecular sizes of target polymers. based on the concept pf the single track gelation, the present study demonstrates the formation of cross-linked polysilane nano-wires with the fairly controlled sizes. Recently the techniques of position-selective single ion hitting have been developed for MeV order ion beams, however it is not sufficient to control precisely the positions of the nano-wires on the substrates within sub- m area. in the present study, we report the selective adhesion of anno-wires on Si substrates by the surface treatments before coating, which enables the patterning of planted nano-wires on substrates and/or electrodes as candidates for nano-sized field emissive cathodes or electro-luminescent devices. Some examples of
International Nuclear Information System (INIS)
Tumba, Kaniki; Letcher, Trevor M.; Naidoo, Paramespri; Ramjugernath, Deresh
2013-01-01
Highlights: • Activity coefficients at infinite dilution measured in the ionic liquid [3C 6 C 14 P][BTI]. • 22 solutes investigated at T = (313.15, 333.15, 353.15, 373.15) K using glc. • Selectivities and capacities for selected separations compared to other IL’s and solvents. -- Abstract: Activity coefficients at infinite dilution for organic solutes, which include n-alkanes, alk-1-enes, alk-1-ynes, cycloalkanes, alkylbenzenes, alcohols and ketones, in the ionic liquid trihexyltetradecylphosphonium bis (trifluoromethylsulfonyl) imide were measured by gas–liquid chromatography using the latter as the stationary phase. This ionic liquid had previously been studied and reported in literature; however due to significant discrepancies in the reported infinite activity coefficient values, there was justification for further study and reporting. The temperature range investigated in this study is significantly wider and at higher temperatures than presented previously in the literature. From the experimental infinite dilution activity coefficient data at the four different temperatures T = (313.15, 333.15, 353.15 and 373.15) K, partial molar excess enthalpies at infinite dilution were calculated. Values of the selectivity for hexane/benzene and methanol/benzene separations were determined from experimental values of the activity coefficients at infinite dilution and these results were compared to literature values for other ionic liquids, as well as for industrial solvents. The capacities were also determined as it gives an indication of the solvent extraction behavior of the ionic liquid
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.
Activity coefficients of LiCl in (PEG 4000 + water) at T = (288.15, 298.15, and 308.15) K
International Nuclear Information System (INIS)
Morales, Jaime W.; Galleguillos, Hector R.; Graber, Teofilo A.; Hernandez-Luis, Felipe
2010-01-01
The electromotive force of the cell containing two ion-selective electrodes (ISE), Na-ISE|LiCl(m),PEG4000(w),H 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 -1 . The values of the standard electromotive force, E 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 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.
International Nuclear Information System (INIS)
Domanska, Urszula; Paduszynski, Kamil
2010-01-01
Activity coefficients at infinite dilution (γ 13 ∞ ) of 33 different solutes (including alkanes, cycloalkanes, alkenes, alkynes, benzene, alkylbenzenes, water, alcohols, MTBE, thiophene and THF) in the ionic liquid tri-iso-butylmethylphosphonium tosylate have been determined by using the GLC method and have been reported over the temperature range (298.15 to 368.15) K. The partial molar excess enthalpies of mixing at infinite dilution have been determined based on temperature dependence of γ 13 ∞ . Selectivity and capacity at infinite dilution has been also calculated for exemplary separation processes in systems n-hexane/benzene and n-hexane/thiophene, to evaluate if the studied ionic liquid is capable to be a good entrainer for these processes, e.g. in the liquid-liquid extraction. The obtained results are promising however the ionic liquid studied shows a lower selectivity than some of imidazolium-based ionic liquids. To our best knowledge, the results indicate that tri-iso-butylmethylphosphonium tosylate is the best for the separation problem of aliphatic hydrocarbons from aromatic hydrocarbons among all of the studied quaternary phosphonium-based ionic liquids.
International Nuclear Information System (INIS)
Sun, Xiao-Guang; Kerr, John B.
2004-01-01
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 6 O 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 -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 6 O 13 full cell constructed using a single ion conductor gel (propylene carbonate (PC)/EMC, 1/1 in
International Nuclear Information System (INIS)
Olivier, Eugene; Letcher, Trevor M.; Naidoo, Paramespri; Ramjugernath, Deresh
2010-01-01
Activity coefficients at infinite dilution were determined for 24 solutes (n-alkanes, alk-1-enes, alk-1-ynes, cycloalkanes, alkylbenzenes, and alcohols) in the ionic liquid 1-ethyl-3-methylimidazolium trifluoromethanesulfonate by gas-liquid chromatography at three different temperatures T = (313.15, 323.15, 333.15) K. The partial molar excess enthalpy values at infinite dilution were calculated from the experimental results over the same temperature range. Selectivities and capacities at infinite dilution for the hexane/benzene and methanol/benzene separation problems were calculated from experimental infinite dilution activity coefficient values. The activity coefficients, enthalpies, selectivities, and capacities are discussed and compared to literature values for other ionic liquids, as well as industrial molecular solvents.
International Nuclear Information System (INIS)
Wlazło, Michał; Marciniak, Andrzej
2012-01-01
Highlights: ► The γ 13 ∞ and K L for 62 solutes in the IL [COC 2 mMOR][FAP] were determined by IGC. ► Partial molar excess thermodynamic functions at infinite dilution were calculated. ► The selectivities and capacities for selected separation problems were calculated. ► LFER system constants as a function of T for [COC 2 mMOR][FAP] were calculated. - Abstract: This paper presents new data on activity coefficients at infinite dilution, γ ∞ for 62 different solutes: alkanes, alkenes, alkynes, cycloalkanes, aromatic hydrocarbons, alcohols, thiophene, ethers, ketones, and water in the ionic liquid 4-(2-methoxyethyl)-4-methylmorpholinium trifluorotris(perfluoroethyl)phosphate, [COC 2 mMOR][FAP]. The data were determined by inverse gas chromatography at six temperatures from T = 318.15 K to T = 368.15 K. These values were compared with ionic liquid based on the same cation and bis(trifluoromethylsulfonyl)-amide anion, [COC 2 mMOR][NTf 2 ]. Additionally 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 temperatures range. The selectivities and capacities at infinite dilution for hexane/benzene, cyclohexane/benzene, and heptane/thiophene extraction problems were calculated from the γ ∞ to verify the possibility of investigated ionic liquid as an entrainer in liquid–liquid extraction and desulphurization of fuels. Obtained values were compared with literature data of other ionic liquids based on trifluorotris(perfluoroethyl)phosphate and bis(trifluoromethylsulfonyl)-amide anions and industrial solvents: NMP and sulfolane. Also the Abraham solvation parameter model was used for evaluation of the solvation characteristic of the ionic liquid. Linear free energy relationship (LFER) system constants as a function of temperature were calculated.
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 (CO_{2}) 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 CO_{2} 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 CO_{2}, pure water, and both CO_{2}-rich and aqueous (H_{2}O-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 CO_{2}. It can be combined with another model for the brine enthalpy to calculate the molar enthalpy of H_{2}O-CO_{2}-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.
Energy Technology Data Exchange (ETDEWEB)
Hardiansyah, Deni [Medical Radiation Physics/Radiation Protection, Medical Faculty Mannheim, Universitätsmedizin Mannheim, Heidelberg University, Mannheim 68167, Germany and Department of Radiation Oncology, Medical Faculty Mannheim, Universitätsmedizin Mannheim, Heidelberg University, Mannheim 68167 (Germany); Guo, Wei; Glatting, Gerhard, E-mail: gerhard.glatting@medma.uni-heidelberg.de [Medical Radiation Physics/Radiation Protection, Medical Faculty Mannheim, Universitätsmedizin Mannheim, Heidelberg University, Mannheim 68167 (Germany); Kletting, Peter [Department of Nuclear Medicine, Ulm University, Ulm 89081 (Germany); Mottaghy, Felix M. [Department of Nuclear Medicine, University Hospital, RWTH Aachen University, Aachen 52074, Germany and Department of Nuclear Medicine, Maastricht University Medical Center MUMC+, Maastricht 6229 (Netherlands)
2016-09-15
Purpose: The aim of this study was to investigate the accuracy of PET-based treatment planning for predicting the time-integrated activity coefficients (TIACs). Methods: The parameters of a physiologically based pharmacokinetic (PBPK) model were fitted to the biokinetic data of 15 patients to derive assumed true parameters and were used to construct true mathematical patient phantoms (MPPs). Biokinetics of 150 MBq {sup 68}Ga-DOTATATE-PET was simulated with different noise levels [fractional standard deviation (FSD) 10%, 1%, 0.1%, and 0.01%], and seven combinations of measurements at 30 min, 1 h, and 4 h p.i. PBPK model parameters were fitted to the simulated noisy PET data using population-based Bayesian parameters to construct predicted MPPs. Therapy simulations were performed as 30 min infusion of {sup 90}Y-DOTATATE of 3.3 GBq in both true and predicted MPPs. Prediction accuracy was then calculated as relative variability v{sub organ} between TIACs from both MPPs. Results: Large variability values of one time-point protocols [e.g., FSD = 1%, 240 min p.i., v{sub kidneys} = (9 ± 6)%, and v{sub tumor} = (27 ± 26)%] show inaccurate prediction. Accurate TIAC prediction of the kidneys was obtained for the case of two measurements (1 and 4 h p.i.), e.g., FSD = 1%, v{sub kidneys} = (7 ± 3)%, and v{sub tumor} = (22 ± 10)%, or three measurements, e.g., FSD = 1%, v{sub kidneys} = (7 ± 3)%, and v{sub tumor} = (22 ± 9)%. Conclusions: {sup 68}Ga-DOTATATE-PET measurements could possibly be used to predict the TIACs of {sup 90}Y-DOTATATE when using a PBPK model and population-based Bayesian parameters. The two time-point measurement at 1 and 4 h p.i. with a noise up to FSD = 1% allows an accurate prediction of the TIACs in kidneys.
Transport Coefficients of Fluids
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.
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
Energy Technology Data Exchange (ETDEWEB)
Demmel, F. [ISIS Facility, Rutherford Appleton Laboratory, Didcot OX11 0QX (United Kingdom); Mukhopadhyay, S. [ISIS Facility, Rutherford Appleton Laboratory, Didcot OX11 0QX (United Kingdom); Department of Materials, Imperial College London, Exhibition Road, London SW7 2AZ (United Kingdom)
2016-01-07
The ionic stochastic motions in the molten alkali halide NaF are investigated by quasielastic neutron scattering and first principles molecular dynamics simulation. Quasielastic neutron scattering was employed to extract the diffusion behavior of the sodium ions in the melt. An extensive first principles based simulation on a box of up to 512 particles has been performed to complement the experimental data. From that large box, a smaller 64-particle box has then been simulated over a runtime of 60 ps. A good agreement between calculated and neutron data on the level of spectral shape has been obtained. The obtained sodium diffusion coefficients agree very well. The simulation predicts a fluorine diffusion coefficient similar to the sodium one. Applying the Nernst-Einstein equation, a remarkable large cross correlation between both ions can be deduced. The velocity cross correlations demonstrate a positive correlation between the ions over a period of 0.1 ps. That strong correlation is evidence that the unlike ions do not move completely statistically independent and have a strong association over a short period of time.
Duignan, Timothy T.; Baer, Marcel D.; Mundy, Christopher J.
2018-06-01
The tetra-phenyl arsonium and tetra-phenyl borate (TATB) assumption is a commonly used extra-thermodynamic assumption that allows single ion free energies to be split into cationic and anionic contributions. The assumption is that the values for the TATB salt can be divided equally. This is justified by arguing that these large hydrophobic ions will cause a symmetric response in water. Experimental and classical simulation work has raised potential flaws with this assumption, indicating that hydrogen bonding with the phenyl ring may favor the solvation of the TB- anion. Here, we perform ab initio molecular dynamics simulations of these ions in bulk water demonstrating that there are significant structural differences. We quantify our findings by reproducing the experimentally observed vibrational shift for the TB- anion and confirm that this is associated with hydrogen bonding with the phenyl rings. Finally, we demonstrate that this results in a substantial energetic preference of the water to solvate the anion. Our results suggest that the validity of the TATB assumption, which is still widely used today, should be reconsidered experimentally in order to properly reference single ion solvation free energy, enthalpy, and entropy.
Directory of Open Access Journals (Sweden)
Rudolf Naef
2017-12-01
Full Text Available 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.
International Nuclear Information System (INIS)
Olivier, Eugene; Letcher, Trevor M.; Naidoo, Paramespri; Ramjugernath, Deresh
2010-01-01
Activity coefficients at infinite dilution were determined for 24 solutes: n-alkanes, alk-1-enes, alk-1-ynes, cycloalkanes, alkylbenzenes and alcohols in the ionic liquid 1-octyl-3-methylimidazolium hexafluorophosphate, [OMIM][PF 6 ], by gas-liquid chromatography at three different temperatures T = (313.15, 323.15, and 333.15) K. The partial molar excess enthalpy values at infinite dilution were calculated from the experimental data over the same temperature range. Capacities and selectivities at infinite dilution for the systems hexane/benzene and methanol/benzene were determined from the experimental data and compared to the literature values for other ionic liquids, as well as for industrial molecular solvents. The influence of the cation and anion of the ionic liquid on the activity coefficient is discussed, as well as the usefulness of [OMIM][PF 6 ] in separating organic liquids.
International Nuclear Information System (INIS)
Yan Peifang; Liu Qingshan; Yang Miao; Liu Xiumei; Tan Zhicheng; Welz-Biermann, Urs
2010-01-01
The activity coefficients at infinite dilution, γ i ∞ for both polar and non-polar solutes in the ionic liquids N-alkylpyridinium bis(trifluoromethylsulfonyl)imide ([C n PY][NTf 2 ], n = 2, 4, 5) have been determined by gas-liquid chromatography using the ionic liquid as the stationary phase. The measurements were carried out at the temperatures from (303 to 353) K. The partial molar excess enthalpies at infinite dilution H i E,∞ of the solutes in the ionic liquids were also derived from the temperature dependence of the γ i ∞ values. The values of the selectivity for the hexane/benzene and cyclohexane/benzene separation problems were calculated from experimental infinite dilution activity coefficient values and compared to the other ionic liquids, taken from the recent literatures.
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.
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.
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.
Radtke, Valentin; Ermantraut, Andreas; Himmel, Daniel; Koslowski, Thorsten; Leito, Ivo; Krossing, Ingo
2018-02-23
Described is a procedure for the thermodynamically rigorous, experimental determination of the Gibbs energy of transfer of single ions between solvents. The method is based on potential difference measurements between two electrochemical half cells with different solvents connected by an ideal ionic liquid salt bridge (ILSB). Discussed are the specific requirements for the IL with regard to the procedure, thus ensuring that the liquid junction potentials (LJP) at both ends of the ILSB are mostly canceled. The remaining parts of the LJPs can be determined by separate electromotive force measurements. No extra-thermodynamic assumptions are necessary for this procedure. The accuracy of the measurements depends, amongst others, on the ideality of the IL used, as shown in our companion paper Part II. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.
The Truth About Ballistic Coefficients
Courtney, Michael; Courtney, Amy
2007-01-01
The ballistic coefficient of a bullet describes how it slows in flight due to air resistance. This article presents experimental determinations of ballistic coefficients showing that the majority of bullets tested have their previously published ballistic coefficients exaggerated from 5-25% by the bullet manufacturers. These exaggerated ballistic coefficients lead to inaccurate predictions of long range bullet drop, retained energy and wind drift.
Energy Technology Data Exchange (ETDEWEB)
Popovic, Daniela Z. [Faculty of Technology and Metallurgy, University of Belgrade, Karnegijeva 4, 11 001 Belgrade (Serbia); Miladinovic, Jelena, E-mail: duma@tmf.bg.ac.rs [Faculty of Technology and Metallurgy, University of Belgrade, Karnegijeva 4, 11 001 Belgrade (Serbia); Todorovic, Milica D.; Zrilic, Milorad M. [Faculty of Technology and Metallurgy, University of Belgrade, Karnegijeva 4, 11 001 Belgrade (Serbia); Rard, Joseph A., E-mail: solution_chemistry2@comcast.net [4363 Claremont Way, Livermore, CA 94550 (United States)
2011-12-15
Highlights: > Isopiestic measurements were made for {l_brace}yKCl + (1 - y)K{sub 2}HPO{sub 4}{r_brace}(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{sub 2}HPO{sub 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{sup -1} using CaCl{sub 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{sub 4}{sup 2-}(aq) and, consequently, no previous measurements are available for comparison with the present results. The present study yields Cl{sup -}HPO{sub 4}{sup 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.
Energy Technology Data Exchange (ETDEWEB)
Marjanovic, V. [High Technical School, Trg Svetog Save 34, 31 000 Uzice (Serbia and Montenegro); Ninkovic, R. [Faculty of Technology and Metallurgy, University of Belgrade, Karnegijeva 4, 11 000 Belgrade (Serbia and Montenegro); Miladinovic, J. [Faculty of Technology and Metallurgy, University of Belgrade, Karnegijeva 4, 11 000 Belgrade (Serbia and Montenegro)]. E-mail: duma@elab.tmf.bg.ac.yu; Todorovic, M. [Faculty of Technology and Metallurgy, University of Belgrade, Karnegijeva 4, 11 000 Belgrade (Serbia and Montenegro); Pavicevic, V. [Faculty of Technology and Metallurgy, University of Belgrade, Karnegijeva 4, 11 000 Belgrade (Serbia and Montenegro)
2005-02-01
The osmotic coefficients of the mixed electrolyte solution {l_brace}y Na{sub 2}SO{sub 4} + (1 - y) ZnSO{sub 4}{r_brace}(aq) have been measured by the isopiestic method, at T = 298.5 K. The experimental results were treated by Scatchard's, Pitzer-Kim's and Clegg-Pitzer-Brimblecombe's methods for mixed-electrolyte solutions. By these methods, the activity coefficients for Na{sub 2}SO{sub 4} and ZnSO{sub 4} were calculated and compared. The Scatchard interaction parameters are used for calculation of the excess Gibbs free energy as a function of ionic strength and ionic-strength fraction of Na{sub 2}SO{sub 4}. Also, the Zdanovskii's rule of linearity is tested.
Esteves, Freddy; Moutinho, Carla; Matos, Carla
2013-06-01
Absorption and consequent therapeutic action are key issues in the development of new drugs by the pharmaceutical industry. In this sense, different models can be used to simulate biological membranes to predict the absorption of a drug. This work compared the octanol/water and the liposome/water models. The parameters used to relate the two models were the distribution coefficients between liposomes and water and octanol and water and the fraction of drug orally absorbed. For this study, 66 drugs were collected from literature sources and divided into four groups according to charge and ionization degree: neutral; positively charged; negatively charged; and partially ionized/zwitterionic. The results show a satisfactory linear correlation between the octanol and liposome systems for the neutral (R²= 0.9324) and partially ionized compounds (R²= 0.9367), contrary to the positive (R²= 0.4684) and negatively charged compounds (R²= 0.1487). In the case of neutral drugs, results were similar in both models because of the high fraction orally absorbed. However, for the charged drugs (positively, negatively, and partially ionized/zwitterionic), the liposomal model has a more-appropriate correlation with absorption than the octanol model. These results show that the neutral compounds only interact with membranes through hydrophobic bonds, whereas charged drugs favor electrostatic interactions established with the liposomes. With this work, we concluded that liposomes may be a more-appropriate biomembrane model than octanol for charged compounds.
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.
On the Kendall Correlation Coefficient
Stepanov, Alexei
2015-01-01
In the present paper, we first discuss the Kendall rank correlation coefficient. In continuous case, we define the Kendall rank correlation coefficient in terms of the concomitants of order statistics, find the expected value of the Kendall rank correlation coefficient and show that the later is free of n. We also prove that in continuous case the Kendall correlation coefficient converges in probability to its expected value. We then propose to consider the expected value of the Kendall rank ...
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.
International Nuclear Information System (INIS)
Pu Qiurong; Chen Yuan
2013-01-01
Green's function method is applied to investigate the two-dimensional spin-1 ferromagnetic Heisenberg model with the exchange and single-ion anisotropies. In the presence of the magnetic field, the effects of the anisotropies and field on the thermodynamic properties are obtained within the random phase approximation combining with Anderson-Callen approximation. The field-induced laws are found for the thermodynamic properties. Field dependences of heights of the susceptibility maximum and specific heat maximum fit well to power laws. The linear increase at high fields is shown for positions of the susceptibility maximum and specific heat maximum. A power law at low fields occurs for the position of the susceptibility maximum. At the positions of the maxima, the magnetization and internal energy display the power-law increase and linear decrease with the field, respectively. The exponents of the power laws are dependent of the anisotropies, as well as the slopes of the linear laws. Our results do not support the 2/3 power law which was obtained by the Landau theory.
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.
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.
Drag Coefficient Estimation in Orbit Determination
McLaughlin, Craig A.; Manee, Steve; Lichtenberg, Travis
2011-07-01
Drag modeling is the greatest uncertainty in the dynamics of low Earth satellite orbits where ballistic coefficient and density errors dominate drag errors. This paper examines fitted drag coefficients found as part of a precision orbit determination process for Stella, Starlette, and the GEOSAT Follow-On satellites from 2000 to 2005. The drag coefficients for the spherical Stella and Starlette satellites are assumed to be highly correlated with density model error. The results using MSIS-86, NRLMSISE-00, and NRLMSISE-00 with dynamic calibration of the atmosphere (DCA) density corrections are compared. The DCA corrections were formulated for altitudes of 200-600 km and are found to be inappropriate when applied at 800 km. The yearly mean fitted drag coefficients are calculated for each satellite for each year studied. The yearly mean drag coefficients are higher for Starlette than Stella, where Starlette is at a higher altitude. The yearly mean fitted drag coefficients for all three satellites decrease as solar activity decreases after solar maximum.
Energy Technology Data Exchange (ETDEWEB)
Engelmann, J. [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires
1962-06-15
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 {gamma} (or the coefficient K) of a given radioelement. The ionisation chambers studied belong to two categories: graphites cavity-chambers, and 4 {pi} {gamma} 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 {gamma}' of a radioelement. In the case of 4 {pi} {gamma} 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 {beta} emitters using the associated Bremsstrahlung. In order to measure the K coefficient of some radioelements, it has been found useful a 4 {pi} {gamma} 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 ({sup 24}Na, {sup 60}Co, {sup 131}I, {sup 198}Au). For other radioelements, the following values were obtained (expressed in r cm{sup 3} mc{sup -1} h{sup -1}): {sup 51}Cr: 0,18; {sup 56}Mn: 8,8; {sup 65}Zn: 3,05; {sup 124}Sb: 9,9; {sup 134}Cs: 9,3; {sup 137}Cs: 3,35; {sup 141}Ce: 0,46; {sup 170}Tm: 0,023; {sup 192}Ir: 24,9; {sup 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{sup 170}. In the last part of this work, the performances of the different electro-metric devices used were compared. (author) [French] Le but de ce travail est d'etudier les techniques de mesure par
Energy Technology Data Exchange (ETDEWEB)
Engelmann, J [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires
1962-06-15
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 {gamma} (or the coefficient K) of a given radioelement. The ionisation chambers studied belong to two categories: graphites cavity-chambers, and 4 {pi} {gamma} 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 {gamma}' of a radioelement. In the case of 4 {pi} {gamma} 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 {beta} emitters using the associated Bremsstrahlung. In order to measure the K coefficient of some radioelements, it has been found useful a 4 {pi} {gamma} 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 ({sup 24}Na, {sup 60}Co, {sup 131}I, {sup 198}Au). For other radioelements, the following values were obtained (expressed in r cm{sup 3} mc{sup -1} h{sup -1}): {sup 51}Cr: 0,18; {sup 56}Mn: 8,8; {sup 65}Zn: 3,05; {sup 124}Sb: 9,9; {sup 134}Cs: 9,3; {sup 137}Cs: 3,35; {sup 141}Ce: 0,46; {sup 170}Tm: 0,023; {sup 192}Ir: 24,9; {sup 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{sup 170}. In the last part of this work, the performances of the different electro-metric devices used were compared. (author) [French] Le but de ce travail est d'etudier les techniques de mesure par chambre d
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
Quadrature formulas for Fourier coefficients
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.
Takenouchi, Osamu; Miyazawa, Masaaki; Saito, Kazutoshi; Ashikaga, Takao; Sakaguchi, Hitoshi
2013-01-01
To meet the urgent need for a reliable alternative test for predicting skin sensitizing potential of many chemicals, we have developed a cell-based in vitro test, human Cell Line Activation Test (h-CLAT). However, the predictive performance for lipophilic chemicals in the h-CLAT still remains relatively unknown. Moreover, it's suggested that low water solubility of chemicals might induce false negative outcomes. Thus, in this study, we tested relatively low water soluble 37 chemicals with log Kow values above and below 3.5 in the h-CLAT. The small-scale assessment resulted in nine false negative outcomes for chemicals with log Kow values greater than 3.5. We then created a dataset of 143 chemicals by combining the existing dataset of 106 chemicals and examined the predictive performance of the h-CLAT for chemicals with a log Kow of less than 3.5; a total of 112 chemicals from the 143 chemicals in the dataset. The sensitivity and overall accuracy for the 143 chemicals were 83% and 80%, respectively. In contrast, sensitivity and overall accuracy for the 112 chemicals with log Kow values below 3.5 improved to 94% and 88%, respectively. These data suggested that the h-CLAT could successfully detect sensitizers with log Kow values up to 3.5. When chemicals with log Kow values greater than 3.5 that were deemed positive by h-CLAT were included with the 112 chemicals, the sensitivity and accuracy in terms of the resulting applicable 128 chemicals out of the 143 chemicals became 95% and 88%, respectively. The use of log Kow values gave the h-CLAT a higher predictive performance. Our results demonstrated that the h-CLAT could predict sensitizing potential of various chemicals, which contain lipophilic chemicals using a large-scale chemical dataset.
Coefficient Alpha: A Reliability Coefficient for the 21st Century?
Yang, Yanyun; Green, Samuel B.
2011-01-01
Coefficient alpha is almost universally applied to assess reliability of scales in psychology. We argue that researchers should consider alternatives to coefficient alpha. Our preference is for structural equation modeling (SEM) estimates of reliability because they are informative and allow for an empirical evaluation of the assumptions…
Coefficient estimates of negative powers and inverse coefficients for ...
Indian Academy of Sciences (India)
and the inequality is sharp for the inverse of the Koebe function k(z) = z/(1 − z)2. An alternative approach to the inverse coefficient problem for functions in the class S has been investigated by Schaeffer and Spencer [27] and FitzGerald [6]. Although, the inverse coefficient problem for the class S has been completely solved ...
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...
The Evolution of Pearson's Correlation Coefficient
Kader, Gary D.; Franklin, Christine A.
2008-01-01
This article describes an activity for developing the notion of association between two quantitative variables. By exploring a collection of scatter plots, the authors propose a nonstandard "intuitive" measure of association; and by examining properties of this measure, they develop the more standard measure, Pearson's Correlation Coefficient. The…
Vert, Vicente B.; Serra, José M.
The influence of different application-oriented factors on the electrochemical activity and stability of TbBaCo 3ZnO 7+ δ when used as a solid oxide fuel cell cathode has been studied. Calcination at temperatures above 900 °C (e.g. 1000 °C) leads to a significant increase in the electrode polarization resistance. The effect of the sintering temperature of the TbBaCo 3ZnO 7+ δ cathode seems to be more important than the effect produced by the Tb substitution as observed when compared with 900 °C-sintered YBaCo 3ZnO 7+ δ; and ErBaCo 3ZnO 7+ δ electrode performances. The presence of CO 2 in the air flow leads to an increase of roughly 10% in the polarization resistance for the whole studied temperature range (500-850 °C) while this effect is reversible. Analysis of the impedance spectroscopy measurements shows that the exchange rate constant (k G from Gerischer element) is significantly affected by CO 2 at temperatures below 700 °C, while the diffusion coefficient related parameter is slightly influenced at low temperatures. Electrode degrades with a low constant rate of 1 mΩ cm 2 h -1 after 60 h. This cathode material exhibits high CO 2 tolerance, as shown by temperature programmed treatment under a continuous gas flow of air with 5% CO 2, and a relatively low thermal expansion coefficient.
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^{+}, NH_{4}^{+}, Mg^{2+}, Ca^{2+}, Cl^{−}, Br^{−}, NO_{3}^{−}, HSO_{4}^{−}, and SO_{4}^{2−}. 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
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)
Formulas for activity coefficients of individual ions
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,
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...
Probabilistic optimization of safety coefficients
International Nuclear Information System (INIS)
Marques, M.; Devictor, N.; Magistris, F. de
1999-01-01
This article describes a reliability-based method for the optimization of safety coefficients defined and used in design codes. The purpose of the optimization is to determine the partial safety coefficients which minimize an objective function for sets of components and loading situations covered by a design rule. This objective function is a sum of distances between the reliability of the components designed using the safety coefficients and a target reliability. The advantage of this method is shown on the examples of the reactor vessel, a vapour pipe and the safety injection circuit. (authors)
International Nuclear Information System (INIS)
Miyano, Yoshimori; Kobashi, Takahiro; Shinjo, Hiroshi; Kumada, Shinya; Watanabe, Yusuke; Niya, Wataru; Tateishi, Yoko
2006-01-01
Henry's law constants and infinite dilution activity coefficients of cis-2-butene, dimethylether, chloroethane, and 1,1-difluoroethane in methanol, 1-propanol, 2-propanol, 1-butanol, 2-butanol, isobutanol, tert-butanol, 1-pentanol, 2-pentanol, 3-pentanol, 2-methyl-1-butanol, 3-methyl-1-butanol, and 2-methyl-2-butanol in the temperature range of 250 K to 330 K were measured by a gas stripping method and partial molar excess enthalpies were calculated from the activity coefficients. A rigorous formula for evaluating the Henry's law constants from the gas stripping measurements was used for the data reduction of these highly volatile mixtures. The uncertainty is about 2% for the Henry's law constants and 3% for the estimated infinite dilution activity coefficients. In the evaluation of the infinite dilution activity coefficients, the nonideality of the solute such as the fugacity coefficient and Poynting correction factor cannot be neglected, especially at higher temperatures. The estimated uncertainty of the infinite dilution activity coefficients includes 1% for nonideality
Quadrature formulas for Fourier coefficients
Bojanov, Borislav; Petrova, Guergana
2009-01-01
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
Diffusion coefficient for anomalous transport
International Nuclear Information System (INIS)
1986-01-01
A report on the progress towards the goal of estimating the diffusion coefficient for anomalous transport is given. The gyrokinetic theory is used to identify different time and length scale inherent to the characteristics of plasmas which exhibit anomalous transport
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.
Properties of Traffic Risk Coefficient
Tang, Tie-Qiao; Huang, Hai-Jun; Shang, Hua-Yan; Xue, Yu
2009-10-01
We use the model with the consideration of the traffic interruption probability (Physica A 387(2008)6845) to study the relationship between the traffic risk coefficient and the traffic interruption probability. The analytical and numerical results show that the traffic interruption probability will reduce the traffic risk coefficient and that the reduction is related to the density, which shows that this model can improve traffic security.
Clustering Coefficients for Correlation Networks.
Masuda, Naoki; Sakaki, Michiko; Ezaki, Takahiro; Watanabe, Takamitsu
2018-01-01
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 were strongly
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
Clustering Coefficients for Correlation Networks
Masuda, Naoki; Sakaki, Michiko; Ezaki, Takahiro; Watanabe, Takamitsu
2018-01-01
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 were strongly
Converting Sabine absorption coefficients to random incidence absorption coefficients
DEFF Research Database (Denmark)
Jeong, Cheol-Ho
2013-01-01
are suggested: An optimization method for the surface impedances for locally reacting absorbers, the flow resistivity for extendedly reacting absorbers, and the flow resistance for fabrics. With four porous type absorbers, the conversion methods are validated. For absorbers backed by a rigid wall, the surface...... coefficients to random incidence absorption coefficients are proposed. The overestimations of the Sabine absorption coefficient are investigated theoretically based on Miki's model for porous absorbers backed by a rigid wall or an air cavity, resulting in conversion factors. Additionally, three optimizations...... impedance optimization produces the best results, while the flow resistivity optimization also yields reasonable results. The flow resistivity and flow resistance optimization for extendedly reacting absorbers are also found to be successful. However, the theoretical conversion factors based on Miki's model...
Rate coefficient for the reaction N + NO
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.
Power coefficient anomaly in JOYO
Energy Technology Data Exchange (ETDEWEB)
Yamamoto, H
1980-12-15
Operation of the JOYO experimental fast reactor with the MK-I core has been divided into two phases: (1) 50 MWt power ascension and operation; and (2) 75 MWt power ascension and operation. The 50 MWt power-up tests were conducted in August 1978. In these tests, the measured reactivity loss due to power increases from 15 MWt to 50 MWt was 0.28% ..delta.. K/K, and agreed well with the predicted value of 0.27% ..delta.. K/K. The 75 MWt power ascension tests were conducted in July-August 1979. In the process of the first power increase above 50 MWt to 65 MWt conducted on July 11, 1979, an anomalously large negative power coefficient was observed. The value was about twice the power coefficient values measured in the tests below 50 MW. In order to reproduce the anomaly, the reactor power was decreased and again increased up to the maximum power of 65 MWt. However, the large negative power coefficient was not observed at this time. In the succeeding power increase from 65 MWt to 75 MWt, a similar anomalous power coefficient was again observed. This anomaly disappeared in the subsequent power ascensions to 75 MWt, and the magnitude of the power coefficient gradually decreased with power cycles above the 50 MWt level.
Analysis of internal conversion coefficients
International Nuclear Information System (INIS)
Coursol, N.; Gorozhankin, V.M.; Yakushev, E.A.; Briancon, C.; Vylov, Ts.
2000-01-01
An extensive database has been assembled that contains the three most widely used sets of calculated internal conversion coefficients (ICC): [Hager R.S., Seltzer E.C., 1968. Internal conversion tables. K-, L-, M-shell Conversion coefficients for Z=30 to Z=103, Nucl. Data Tables A4, 1-237; Band I.M., Trzhaskovskaya M.B., 1978. Tables of gamma-ray internal conversion coefficients for the K-, L- and M-shells, 10≤Z≤104, Special Report of Leningrad Nuclear Physics Institute; Roesel F., Fries H.M., Alder K., Pauli H.C., 1978. Internal conversion coefficients for all atomic shells, At. Data Nucl. Data Tables 21, 91-289] and also includes new Dirac-Fock calculations [Band I.M. and Trzhaskovskaya M.B., 1993. Internal conversion coefficients for low-energy nuclear transitions, At. Data Nucl. Data Tables 55, 43-61]. This database is linked to a computer program to plot ICCs and their combinations (sums and ratios) as a function of Z and energy, as well as relative deviations of ICC or their combinations for any pair of tabulated data. Examples of these analyses are presented for the K-shell and total ICCs of the gamma-ray standards [Hansen H.H., 1985. Evaluation of K-shell and total internal conversion coefficients for some selected nuclear transitions, Eur. Appl. Res. Rept. Nucl. Sci. Tech. 11.6 (4) 777-816] and for the K-shell and total ICCs of high multipolarity transitions (total, K-, L-, M-shells of E3 and M3 and K-shell of M4). Experimental data sets are also compared with the theoretical values of these specific calculations
Algebraic polynomials with random coefficients
Directory of Open Access Journals (Sweden)
K. Farahmand
2002-01-01
Full Text Available This paper provides an asymptotic value for the mathematical expected number of points of inflections of a random polynomial of the form a0(ω+a1(ω(n11/2x+a2(ω(n21/2x2+…an(ω(nn1/2xn when n is large. The coefficients {aj(w}j=0n, w∈Ω are assumed to be a sequence of independent normally distributed random variables with means zero and variance one, each defined on a fixed probability space (A,Ω,Pr. A special case of dependent coefficients is also studied.
International Nuclear Information System (INIS)
Reddy, Prashant; Gwala, Nobuhle V.; Deenadayalu, Nirmala; Ramjugernath, Deresh
2011-01-01
Research highlights: → Ammonium ionic liquid selectivity value lower than for imidazolium ionic liquid. → Ammonium ionic liquids with smaller alkyl groups have higher selectivity values. → For the same cation the [TS] anion has a higher selectivity than the [NTf 2 ]. - Abstract: In this work, activity coefficients at infinite dilution (γ 13 ∞ ) have been obtained for 19 polar and non-polar organic solutes in the form of n-alkanes, cycloalkanes, 1-alkenes, 1-alkynes, aromatic compounds, and ketones in the ionic liquid methyl(trioctyl)ammonium thiosalicylate by gas-liquid chromatography at three different temperatures, i.e. T = (303.15, 313.15, and 323.15) K. Two columns with different phase loadings of the ionic liquid in the stationary phase (25% and 30%) were employed to obtain γ 13 ∞ values at each temperature investigated. Partial molar excess enthalpies at infinite dilution (ΔH 1 E,∞ ) were calculated for each of the solutes from the temperature dependency of the γ 13 ∞ values for the temperature range in this study. Selectivity values at infinite dilution (S ij ∞ ) were computed from the γ 13 ∞ values to screen the potential candidacy of the ionic liquid for the separation of n-hexane/benzene mixtures. The results from this study have been compared to those available for several other classes of ionic liquids and commercial solvents employed in solvent-enhanced industrial separation processes.
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.
Irrational "Coefficients" in Renaissance Algebra.
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.
Integer Solutions of Binomial Coefficients
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…
Calibration factor or calibration coefficient?
International Nuclear Information System (INIS)
Meghzifene, A.; Shortt, K.R.
2002-01-01
Full text: The IAEA/WHO network of SSDLs was set up in order to establish links between SSDL members and the international measurement system. At the end of 2001, there were 73 network members in 63 Member States. The SSDL network members provide calibration services to end-users at the national or regional level. The results of the calibrations are summarized in a document called calibration report or calibration certificate. The IAEA has been using the term calibration certificate and will continue using the same terminology. The most important information in a calibration certificate is a list of calibration factors and their related uncertainties that apply to the calibrated instrument for the well-defined irradiation and ambient conditions. The IAEA has recently decided to change the term calibration factor to calibration coefficient, to be fully in line with ISO [ISO 31-0], which recommends the use of the term coefficient when it links two quantities A and B (equation 1) that have different dimensions. The term factor should only be used for k when it is used to link the terms A and B that have the same dimensions A=k.B. However, in a typical calibration, an ion chamber is calibrated in terms of a physical quantity such as air kerma, dose to water, ambient dose equivalent, etc. If the chamber is calibrated together with its electrometer, then the calibration refers to the physical quantity to be measured per electrometer unit reading. In this case, the terms referred have different dimensions. The adoption by the Agency of the term coefficient to express the results of calibrations is consistent with the 'International vocabulary of basic and general terms in metrology' prepared jointly by the BIPM, IEC, ISO, OIML and other organizations. The BIPM has changed from factor to coefficient. The authors believe that this is more than just a matter of semantics and recommend that the SSDL network members adopt this change in terminology. (author)
Extinction Coefficient of Gold Nanostars
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...
Form of multicomponent Fickian diffusion coefficients matrix
International Nuclear Information System (INIS)
Wambui Mutoru, J.; Firoozabadi, Abbas
2011-01-01
Highlights: → Irreversible thermodynamics establishes form of multicomponent diffusion coefficients. → Phenomenological coefficients and thermodynamic factors affect sign of diffusion coefficients. → Negative diagonal elements of diffusion coefficients matrix can occur in non-ideal mixtures. → Eigenvalues of the matrix of Fickian diffusion coefficients may not be all real. - Abstract: The form of multicomponent Fickian diffusion coefficients matrix in thermodynamically stable mixtures is established based on the form of phenomenological coefficients and thermodynamic factors. While phenomenological coefficients form a symmetric positive definite matrix, the determinant of thermodynamic factors matrix is positive. As a result, the Fickian diffusion coefficients matrix has a positive determinant, but its elements - including diagonal elements - can be negative. Comprehensive survey of reported diffusion coefficients data for ternary and quaternary mixtures, confirms that invariably the determinant of the Fickian diffusion coefficients matrix is positive.
Fondo, Matilde; Corredoira-Vázquez, Julio; Herrera-Lanzós, Antía; García-Deibe, Ana M; Sanmartín-Matalobos, Jesús; Herrera, Juan Manuel; Colacio, Enrique; Nuñez, Cristina
2017-12-12
Mononuclear complexes of stoichiometry [Ln(H 3 L)(H 2 O)(NO 3 )](NO 3 ) 2 (Ln = Tb, 1; Dy, 2, Er, 3), which crystallise with different solvates, and the heterotrinuclear compound [Zn 2 Dy(L)(NO 3 ) 3 (OH)] (4) can be obtained with the same H 3 L compartmental ligand. The single X-ray crystal structure of the mononuclear complexes shows a LnO 9 core with a muffin-like disposition while the geometry of the DyO 9 core in 4 seems to be closer to spherical capped square antiprism. The analysis of the magnetic properties of all the complexes demonstrates that the mononuclear lanthanide compounds do not show slow relaxation of the magnetization, even when the samples are diluted with a diamagnetic matrix and subjected to a dc applied field of 1000 Oe. Nevertheless, the heterotrinuclear dysprosium complex 4·3H 2 O is a field-induced single ion magnet, with an estimated U eff barrier of 59 K. The luminescence characterisation of all the metal complexes in methanol solution at 298 K also shows a notable increase in the fluorescence emission of the heterotrinuclear complex with respect to the mononuclear ones, in such a way that 4 can be defined as a fluorescent single ion magnet.
Regional water coefficients for U.S. industrial sectors
Directory of Open Access Journals (Sweden)
Riccardo Boero
2017-12-01
Full Text Available Designing policies for water systems management requires the capability to assess the economic impacts of water availability and to effectively couple water withdrawals by human activities with natural hydrologic dynamics. At the core of any scientific approach to these issues there is the estimation of water withdrawals by industrial sectors in the form of water coefficients, which are measurements of the quantity of water withdrawn per dollar of GDP or output. In this work we focus on the contiguous United States and on the estimation of water coefficients for regional scale analyses. We first compare an established methodology for the estimation of national water coefficients with a parametric one we propose. Second, we introduce a method to estimate water coefficients at the level of ecological regions and we discuss how they reduce possible biases in regional analyses of water systems. We conclude discussing advantages and limits of regional water coefficients.
Study of transport coefficients of nanodiamond nanofluids
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.
Evaluation of Rock Joint Coefficients
Audy, Ondřej; Ficker, Tomáš
2017-10-01
A computer method for evaluation of rock joint coefficients is described and several applications are presented. The method is based on two absolute numerical indicators that are formed by means of the Fourier replicas of rock joint profiles. The first indicator quantifies the vertical depth of profiles and the second indicator classifies wavy character of profiles. The absolute indicators have replaced the formerly used relative indicators that showed some artificial behavior in some cases. This contribution is focused on practical computations testing the functionality of the newly introduced indicators.
International Nuclear Information System (INIS)
Zin, Rohani Mohd; Coquelet, Christophe; Valtz, Alain; Abdul Mutalib, Mohamed I.; Sabil, Khalik Mohamad
2016-01-01
Highlights: • Measurement of Henry’s Law constants of nPM, iPM, nBM and iBM in aqueous MDEA. • Measurement of infinite dilution activity coefficients of nPM, iPM, nBM and iBM in aqueous MDEA. • Measurement using gas stripping method for T = (298 to 348) K and MDEA solution of (25 and 50) wt%. • Limiting activity coefficient and Henry’s Law constant is increasing with solute molecular size. • The experimental technique has provided information about heats of solution of aqueous MDEA. - Abstract: In this study, the Henry’s Law constant and the activity coefficients in infinite dilution in a mass fraction of (25 and 50)% of methyldiethanolamine (MDEA) aqueous solution within the temperature range of (298 to 348) K at atmospheric pressure, were measured. An inert gas stripping method was used to perform all the measurements. The new values of Henry’s Law constant and the activity coefficients in infinite dilution correlation with solute molecular size were explained. The influence of the solvent is discussed taking into consideration the heat of absorptions for different MDEA concentrations. Experimental results are compared to literature data wherever available.
Correlation coefficients in neutron β-decay
International Nuclear Information System (INIS)
Byrne, J.
1978-01-01
The various angular and polarisation coefficients in neutron decay are the principal sources of information on the β-interaction. Measurements of the electron-neutrino angular correlation coefficient (a), the neutron-spin-electron-momentum correlation coefficient (A), the neutron-spin-neutrino-momentum correlation coefficient (B), and the triple correlation coefficient D and time-reversal invariance are reviewed and the results discussed. (U.K.)
International Nuclear Information System (INIS)
Reddy, Prashant; Aslam Siddiqi, M.; Atakan, Burak; Diedenhofen, Michael; Ramjugernath, Deresh
2013-01-01
Highlights: ► γ 13 ∞ values reported for 25 organic solutes in the ionic liquid PEG-5 cocomonium methylsulfate. ► Measurements undertaken using the g.l.c. technique at T = (313.15, 323.15, 333.15, and 343.15) K. ► Sound speed, density and refractive index data for ionic liquid PEG-5 cocomonium methylsulfate also reported. ► Measured γ 13 ∞ values compared to COSMO-RS predictions. -- Abstract: Activity coefficients at infinite dilution γ 13 ∞ have been determined for 25 polar and non-polar organic solutes (alkanes, cycloalkanes, alk-1-enes, alk-1-ynes, aromatic compounds, alcohols, and ketones) in the ionic liquid PEG-5 cocomonium methylsulfate with gas–liquid chromatography at four different temperatures, T = (313.15, 323.15, 333.15, and 343.15) K. Packed columns with phase loadings of 0.28 and 0.34 ionic liquid mass fraction in the stationary phase were employed to obtain γ 13 ∞ values at each temperature investigated. Speed of sound, density, and refractive index values have also been measured for the pure ionic liquid at P = 0.1 MPa and T = (303.15, 313.15, 323.15, 333.15, and 343.15) K. The uncertainties in the sound speeds, densities, and refractive indices are estimated to be values of 0.9 m · s −1 , 0.00003 g · cm −3 , and 0.00002, respectively. Partial molar excess enthalpies at infinite dilution ΔH 1 E,∞ were calculated for the solutes from the temperature dependency of the γ 13 ∞ values for the temperature range of this study. The uncertainties in the determinations of γ 13 ∞ and ΔH 1 E,∞ values are 5% and 10%, respectively. Selectivity values at infinite dilution S 12 ∞ for hexane/benzene, cyclohexane/benzene, hexane/hex-1-ene, and hexane/ethanol separations have been calculated. These have been compared against values obtained from COSMO-RS predictions
Extinction Coefficient of Gold Nanostars.
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.
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.
Coefficients of productivity for Yellowstone's grizzly bear habitat
Mattson, David John; Barber, Kim; Maw, Ralene; Renkin, Roy
2004-01-01
This report describes methods for calculating coefficients used to depict habitat productivity for grizzly bears in the Yellowstone ecosystem. Calculations based on these coefficients are used in the Yellowstone Grizzly Bear Cumulative Effects Model to map the distribution of habitat productivity and account for the impacts of human facilities. The coefficients of habitat productivity incorporate detailed information that was collected over a 20-year period (1977-96) on the foraging behavior of Yellowstone's bears and include records of what bears were feeding on, when and where they fed, the extent of that feeding activity, and relative measures of the quantity consumed. The coefficients also incorporate information, collected primarily from 1986 to 1992, on the nutrient content of foods that were consumed, their digestibility, characteristic bite sizes, and the energy required to extract and handle each food. Coefficients were calculated for different time periods and different habitat types, specific to different parts of the Yellowstone ecosystem. Stratifications included four seasons of bear activity (spring, estrus, early hyperphagia, late hyperphagia), years when ungulate carrion and whitebark pine seed crops were abundant versus not, areas adjacent to (bear activity in each region, habitat type, and time period were incorporated into calculations, controlling for the effects of proximity to human facilities. The coefficients described in this report and associated estimates of grizzly bear habitat productivity are unique among many efforts to model the conditions of bear habitat because calculations include information on energetics derived from the observed behavior of radio-marked bears.
2010-08-01
a mathematical equation relates the cathode reaction reversible electric potential to the lithium content of the cathode electrode. Based on the...Transport of Lithium in the Cell Cathode Active Material The Nernst -Einstein relation linking the lithium-ion mass diffusivity and its ionic...transient, isothermal and isobaric conditions. The differential model equation describing the lithium diffusion and accumulation in a spherical, active
Mercaldo, M. T.; Rabuffo, I.; De Cesare, L.; Caramico D'Auria, A.
2016-04-01
In this work we study the quantum phase transition, the phase diagram and the quantum criticality induced by the easy-plane single-ion anisotropy in a d-dimensional quantum spin-1 XY model in absence of an external longitudinal magnetic field. We employ the two-time Green function method by avoiding the Anderson-Callen decoupling of spin operators at the same sites which is of doubtful accuracy. Following the original Devlin procedure we treat exactly the higher order single-site anisotropy Green functions and use Tyablikov-like decouplings for the exchange higher order ones. The related self-consistent equations appear suitable for an analysis of the thermodynamic properties at and around second order phase transition points. Remarkably, the equivalence between the microscopic spin model and the continuous O(2) -vector model with transverse-Ising model (TIM)-like dynamics, characterized by a dynamic critical exponent z=1, emerges at low temperatures close to the quantum critical point with the single-ion anisotropy parameter D as the non-thermal control parameter. The zero-temperature critic anisotropy parameter Dc is obtained for dimensionalities d > 1 as a function of the microscopic exchange coupling parameter and the related numerical data for different lattices are found to be in reasonable agreement with those obtained by means of alternative analytical and numerical methods. For d > 2, and in particular for d=3, we determine the finite-temperature critical line ending in the quantum critical point and the related TIM-like shift exponent, consistently with recent renormalization group predictions. The main crossover lines between different asymptotic regimes around the quantum critical point are also estimated providing a global phase diagram and a quantum criticality very similar to the conventional ones.
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 ...
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...
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
Standards for Standardized Logistic Regression Coefficients
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…
Soccer Ball Lift Coefficients via Trajectory Analysis
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…
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
Limits of the memory coefficient in measuring correlated bursts
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.
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....
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.
Solubility and diffusion coefficient of oxygen in silicon
International Nuclear Information System (INIS)
Itoh, Yoshiko; Nozaki, Tadashi
1985-01-01
The solubility and diffusion coefficient of oxygen in silicon between 1000 0 C and 1375 0 C were examined by charged particle activation analysis with the 16 O( 3 He,p) 18 F reaction, in which oxygen was activated with an equal probability over the depth of up to 250μm by a specially devised apparatus. Silicon wafers of known histories were heated in oxygen or argon for 12 to 473 hours, and the resultant oxygen depth profiles were determined by the activation, subsequent stepwise etching and 18 F activity measurement. The solubility thus obtained is given as 9.3 x 10 21 exp[-27.6kcal mol -1 /RT] at.cm -3 ; the diffusion coefficient has been found to be approximated as 3.2 exp[-67.1kcal mol -1 /RT] cm 2 s -1 over 1150 0 C, under which the apparent activation energy seems to decrease with decrease of temperature. (author)
A drying coefficient for building materials
DEFF Research Database (Denmark)
Scheffler, Gregor Albrecht; Plagge, Rudolf
2009-01-01
coefficient is defined which can be determined based on measured drying data. The correlation of this coefficient with the water absorption and the vapour diffusion coefficient is analyzed and its additional information content is critically challenged. As result, a drying coefficient has been derived......The drying experiment is an important element of the hygrothermal characterisation of building materials. Contrary to other moisture transport experiments as the vapour diffusion and the water absorption test, it is until now not possible to derive a simple coefficient for the drying. However......, 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...
International Nuclear Information System (INIS)
Rege, Aarti C.; Venkataramani, B.; Gupta, A.R.
1999-06-01
Preferential solvation of single ion solutions has been studied with Li + , Na + , K + and Ag +- forms of Dowex 50W resins of different cross-linkings in methanol-water and acetonitrile (AN)- water mixtures. The solvent uptake by this alkali metal ionic forms of Dowex 50W resins was studied in an isopiestic set-up using 2,4,6 and 8 m LiCl solutions in 11.0, 20.8, 44.3 and 70.2 % (w/w) methanol-water mixtures and that of Na +- and Ag +- forms using 14.6 to 94.3 % (w/w) AN - water mixtures. The solvent sorbed in the resin phase was extracted by Rayleigh-type distillation and analysed gas chromatographically. The data were analysed by the N s (mole fraction of the organic solvent in the resin phase) vs n t au (total solvent content in the resin phase) plots and separation factor, alpha(ratio of mole fraction of the solvents in the resin and solution phases) or N s vs m (molality in the resin phase) plots. The limiting values of these plots gave the composition of the solvent in the primary solvation shell around the single ion. The compositions of the primary solvation shell around Li + , Na + , and K + in methanol-water mixtures and Na + and Ag + in acetonitrile (AN) - water mixtures have been computed using Franks equation and the approach of Marcus and compared with the experimental results obtained with the above mentioned ionic forms of Dowex 50W resins in different mixed solvents. The experimental results for Li + showed good agreement with the values computed using Franks equation for all methanol-water composition. However, in the case of Na + and K + in methanol-water mixtures and Na + in AN-water mixtures, there was agreement only at lower organic solvent content and the Franks equation predicted higher values for the organic solvent in the primary solvation shell around the cation at higher organic solvent content as compared to experimental results
Apparatus for measurement of coefficient of friction
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.
New definition of the cell diffusion coefficient
International Nuclear Information System (INIS)
Koehler, P.
1975-01-01
As was shown in a recent work by Gelbard, the usually applied Benoist definition of the cell diffusion coefficient gives two different values if two different definitions of the cell are made. A new definition is proposed that preserves the neutron balance for the homogenized lattice and that is independent of the cell definition. The resulting diffusion coefficient is identical with the main term of Benoist's diffusion coefficient
Transfer coefficients in ultracold strongly coupled plasma
Bobrov, A. A.; Vorob'ev, V. S.; Zelener, B. V.
2018-03-01
We use both analytical and molecular dynamic methods for electron transfer coefficients in an ultracold plasma when its temperature is small and the coupling parameter characterizing the interaction of electrons and ions exceeds unity. For these conditions, we use the approach of nearest neighbor to determine the average electron (ion) diffusion coefficient and to calculate other electron transfer coefficients (viscosity and electrical and thermal conductivities). Molecular dynamics simulations produce electronic and ionic diffusion coefficients, confirming the reliability of these results. The results compare favorably with experimental and numerical data from earlier studies.
Comparing linear probability model coefficients across groups
DEFF Research Database (Denmark)
Holm, Anders; Ejrnæs, Mette; Karlson, Kristian Bernt
2015-01-01
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......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...... these limitations, and we suggest a restricted approach to using linear probability model coefficients in group comparisons....
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 ...
Resummed coefficient function for the shape function
Aglietti, U.
2001-01-01
We present a leading evaluation of the resummed coefficient function for the shape function. It is also shown that the coefficient function is short-distance-dominated. Our results allow relating the shape function computed on the lattice to the physical QCD distributions.
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.
Meta-Analysis of Coefficient Alpha
Rodriguez, Michael C.; Maeda, Yukiko
2006-01-01
The meta-analysis of coefficient alpha across many studies is becoming more common in psychology by a methodology labeled reliability generalization. Existing reliability generalization studies have not used the sampling distribution of coefficient alpha for precision weighting and other common meta-analytic procedures. A framework is provided for…
Alternatives to Pearson's and Spearman's Correlation Coefficients
Smarandache, Florentin
2008-01-01
This article presents several alternatives to Pearson's correlation coefficient and many examples. In the samples where the rank in a discrete variable counts more than the variable values, the mixtures that we propose of Pearson's and Spearman's correlation coefficients give better results.
Anomaly coefficients: Their calculation and congruences
International Nuclear Information System (INIS)
Braden, H.W.
1988-01-01
A new method for the calculation of anomaly coefficients is presented. For su(n) some explicit and general expressions are given for these. In particular, certain congruences are discovered and investigated among the leading anomaly coefficients. As an application of these congruences, the absence of global six-dimensional gauge anomalies is shown
Prediction of friction coefficients for gases
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.
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.
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 ...
Implications of NGA for NEHRP site coefficients
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.
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
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...... conditions, the drag coefficient does not depend systematically on z/L but decreases with wind speed for fixed intervals of z/L, where L is the Obukhov length. Even though the drag coefficient for weak wind conditions is sensitive to the exact method of calculation and choice of averaging time, the decrease...... of the drag coefficient with wind speed occurs for all of the calculation methods. A classification of flux calculation methods is constructed, which unifies the most common previous approaches. The roughness length corresponding to the usual Monin-Obukhov stability functions decreases with increasing wind...
Diffusion coefficients of paracetamol in aqueous solutions
International Nuclear Information System (INIS)
Ribeiro, Ana C.F.; Barros, Marisa C.F.; Veríssimo, Luís M.P.; Santos, Cecilia I.A.V.; Cabral, Ana M.T.D.P.V.; Gaspar, Gualter D.; Esteso, Miguel A.
2012-01-01
Highlights: ► Mutual diffusion coefficients of paracetamol in aqueous dilute solutions. ► Influence of the thermodynamic factors on the variation of their mutual diffusion coefficients. ► Estimation of the mutual limiting diffusion coefficients of the molecular, D m 0 , and ionized forms, D ± 0 , of this drug. - Abstract: Binary mutual diffusion coefficients measured by the Taylor dispersion method, for aqueous solutions of paracetamol (PA) at concentrations from (0.001 to 0.050) mol·dm −3 at T = 298.15 K, are reported. From the Nernst–Hartley equation and our experimental results, the limiting diffusion coefficient of this drug and its thermodynamic factors are estimated, thereby contributing in this way to a better understanding of the structure of such systems and of their thermodynamic behaviour in aqueous solution at different concentrations.
Estimation of the simple correlation coefficient.
Shieh, Gwowen
2010-11-01
This article investigates some unfamiliar properties of the Pearson product-moment correlation coefficient for the estimation of simple correlation coefficient. Although Pearson's r is biased, except for limited situations, and the minimum variance unbiased estimator has been proposed in the literature, researchers routinely employ the sample correlation coefficient in their practical applications, because of its simplicity and popularity. In order to support such practice, this study examines the mean squared errors of r and several prominent formulas. The results reveal specific situations in which the sample correlation coefficient performs better than the unbiased and nearly unbiased estimators, facilitating recommendation of r as an effect size index for the strength of linear association between two variables. In addition, related issues of estimating the squared simple correlation coefficient are also considered.
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)
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 â3â 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
Variation in aerodynamic coefficients with altitude
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.
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...... between the measured and the calculated heat transfer coefficient is nearly constant and equal 1.9. With this factor the correlation predicts the measured data within 14% (RMS). The pressure drop is of the same order as the measuring uncertainty and the pressure drop has not been compared with correlation's....
Virial Coefficients for the Liquid Argon
Korth, Micheal; Kim, Saesun
2014-03-01
We begin with a geometric model of hard colliding spheres and calculate probability densities in an iterative sequence of calculations that lead to the pair correlation function. The model is based on a kinetic theory approach developed by Shinomoto, to which we added an interatomic potential for argon based on the model from Aziz. From values of the pair correlation function at various values of density, we were able to find viral coefficients of liquid argon. The low order coefficients are in good agreement with theoretical hard sphere coefficients, but appropriate data for argon to which these results might be compared is difficult to find.
Soccer ball lift coefficients via trajectory analysis
International Nuclear Information System (INIS)
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 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.
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.
Directory of Open Access Journals (Sweden)
Douglas B. Fonseca
2007-01-01
Full Text Available In this study a new approach, solid phase micro extraction (SPME, is used in the evaluation of the infinite dilution activity coefficient of the solute in a given solvent. It is the purpose of the current work to demonstrate a different approach to obtain the data needed for studying the solution thermodynamics of binary liquid mixtures as well as for designing multi-component separations. The solutes investigated at the temperature 298.15 K were toluene, ethyl benzene and xylene in the solvent methanol.
International Nuclear Information System (INIS)
Raynal, J.
1976-01-01
Closed formulae and recurrence relations for the transformation of a two-body harmonic oscillator wave function to the hyperspherical formalism are given. With them Moshinsky or Smirnov coefficients are obtained from the transformation coefficients of hyperspheric harmonics. For these coefficients the diagonalization method of Talman and Lande reduces to simple recurrence relations which can be used directly to compute them. New closed formulae for these coefficients are also derived: they are needed to compute the two simplest coefficients which determine the sign for the recurrence relation. (Auth.)
Friction coefficient dependence on electrostatic tribocharging
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. PMID:23934227
Revised Mark 22 coolant temperature coefficients
International Nuclear Information System (INIS)
Graves, W.E.
1987-01-01
Coolant temperature coefficients for the Mark 22 charge published previously are non-conservative because of the neglect of a significant mechanism which has a positive contribution to reactivity. Even after correcting for this effect, dynamic tests made on a Mark VIB charge in the early 60's suggest the results are still non-conservative. This memorandum takes both of these sources of information into account in making a best estimate of the prompt (coolant plus metal) temperature coefficient. Although no safety issues arise from this work (the overall temperature coefficient still strongly contributes to reactor stability), it is obviously desirable to use best estimates for prompt coefficients in limits and other calculations
Heat transfer coefficient of cryotop during freezing.
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).
Friction coefficient dependence on electrostatic tribocharging.
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.
Roughness coefficients for stream channels in Arizona
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
Experimental techniques of conversion coefficient measurements
International Nuclear Information System (INIS)
Hamilton, J.H.
1975-01-01
Discusses briefly the history of conversion electron spectra measurements, and the interpretation of the collected data. Then provides a comprehensive review of techniques presently available to measure the conversion coefficients. (Auth.)
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
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.)
Diffusion Coefficients of Several Aqueous Alkanolamine Solutions
Snijder, Erwin D.; Riele, Marcel J.M. te; Versteeg, Geert F.; Swaaij, W.P.M. van
1993-01-01
The Taylor dispersion technique was applied for the determination of diffusion coefficients of various systems. Experiments with the system KCl in water showed that the experimental setup provides accurate data. For the alkanolamines monoethanolamine (MEA), diethanolamine (DEA), methyldiethanolamine
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.
Transport Coefficients from Large Deviation Functions
Gao, Chloe; Limmer, David
2017-10-01
We describe a method for computing transport coefficients from the direct evaluation of large deviation function. 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 is a scaled cumulant generating function analogous to the free energy. 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.
A new approach to estimate Angstrom coefficients
International Nuclear Information System (INIS)
Abdel Wahab, M.
1991-09-01
A simple quadratic equation to estimate global solar radiation with coefficients depending on some physical atmospheric parameters is presented. The importance of the second order and sensitivity to some climatic variations is discussed. (author). 8 refs, 4 figs, 2 tabs
A new proposal for Lagrangian correlation coefficient
International Nuclear Information System (INIS)
Altinsoy, N.; Tugrul, A.B.
2002-01-01
The statistical description of dispersion in turbulent flow was first considered by Taylor (Proc. London Math. Soc. 20 (1921) 196) and the statistical properties of the field were determined by Lagrangian correlation coefficient R L (τ). Frenkiel (Adv. Appl. Mech. 3 (1953) 61) has proposed several simple forms for R L (τ). Some workers have investigated for a proper form of the Lagrangian correlation coefficient. In this work, a new proposal for the Lagrangian correlation coefficient is proposed and discussed. It can be written in general form with the one of the Frenkiel's (Adv. Appl. Mech. 3 (1953) 61) Lagrangian correlation coefficient. There is very satisfactory agreement between the new correlation and the experiment
Modeling Ballasted Tracks for Runoff Coefficient C
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...
Relativistic neoclassical transport coefficients with momentum correction
International Nuclear Information System (INIS)
Marushchenko, I.; Azarenkov, N.A.
2016-01-01
The parallel momentum correction technique is generalized for relativistic approach. It is required for proper calculation of the parallel neoclassical flows and, in particular, for the bootstrap current at fusion temperatures. It is shown that the obtained system of linear algebraic equations for parallel fluxes can be solved directly without calculation of the distribution function if the relativistic mono-energetic transport coefficients are already known. The first relativistic correction terms for Braginskii matrix coefficients are calculated.
Torsion method for measuring piezooptic coefficients
Energy Technology Data Exchange (ETDEWEB)
Skab, I.; Smaga, I.; Savaryn, V.; Vasylkiv, Yu.; Vlokh, R. [Institute of Physical Optics, Lviv (Ukraine)
2011-01-15
We develop and describe analytically a torsion method for measuring piezooptic coefficients associated with shear stresses. It is shown that the method enables to increase significantly the accuracy of determination of piezooptic coefficients. The method and the appropriate apparatus are verified experimentally on the example of LiNbO{sub 3} crystals. (copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)
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.
The Binomial Coefficient for Negative Arguments
Kronenburg, M. J.
2011-01-01
The definition of the binomial coefficient in terms of gamma functions also allows non-integer arguments. For nonnegative integer arguments the gamma functions reduce to factorials, leading to the well-known Pascal triangle. Using a symmetry formula for the gamma function, this definition is extended to negative integer arguments, making the symmetry identity for binomial coefficients valid for all integer arguments. The agreement of this definition with some other identities and with the bin...
Investigation of photon attenuation coefficients for marble
International Nuclear Information System (INIS)
Basyigit, C; Akkurt, I; Kilincarslan, S; Akkurt, A
2005-01-01
The total linear attenuation coefficients μ (cm -1 ) have been obtained using the XCOM program at photon energies of 1 keV to 1 GeV for six different natural marbles produced in different places in Turkey. The individual contribution of photon interaction processes to the total linear attenuation coefficients for marble has been investigated. The calculated results were also compared with the measurements. The results obtained for marble were also compared with concrete. (note)
Analysis of flow coefficient in chair manufacture
Ivković Dragoljub; Živković Slaven
2005-01-01
The delivery on time is not possible without the good-quality planning of deadlines, i.e. planning of the manufacturing process duration. The study of flow coefficient enables the realistic forecasting of the manufacturing process duration. This paper points to the significance of the study of flow coefficient on scientific basis so as to determine the terms of the end of the manufacture of chairs made of sawn timber. Chairs are the products of complex construction, often almost completely ma...
On computing Laplace's coefficients and their derivatives.
Gerasimov, I. A.; Vinnikov, E. L.
The algorithm of computing Laplace's coefficients and their derivatives is proposed with application of recurrent relations. The A.G.M.-method is used for the calculation of values L0(0), L0(1). The FORTRAN-program corresponding to the algorithm is given. The precision control was provided with numerical integrating by Simpsons method. The behavior of Laplace's coefficients and their third derivatives whith varying indices K, n for fixed values of the α-parameter is presented graphically.
Monitoring device for local power peaking coefficients
International Nuclear Information System (INIS)
Mihashi, Ishi
1987-01-01
Purpose: To determine and monitor the local power peaking coefficients by a method not depending on the combination of fuel types. Constitution: Representative values for the local power distribution can be obtained by determining corresponding burn-up degrees based on the burn-up degree of each of fuel assembly segments obtained in a power distribution monitor and by the interpolation and extrapolation of void coefficients. The typical values are multiplied with compensation coefficients for the control rod effect and coefficients for compensating the effect of adjacent fuel assemblies in a calculation device to obtain typical values for the present local power distribution compensated with all of the effects. Further, the calculation device compares them with typical values of the present local power distribution to obtain an aimed local power peaking coefficient as the maximum value thereof. According to the present invention, since the local power peaking coefficients can be determined not depending on the combination of the kind of fuels, if the combination of fuel assemblies is increased upon fuel change, the amount of operation therefor is not increased. (Kamimura, M.)
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.)
International Nuclear Information System (INIS)
Letcher, Trevor M.; Marciniak, Andrzej; Marciniak, MaIgorzata; Domanska, Urszula
2005-01-01
The activity coefficients at infinite dilution, γ 13 ∞ (where 1 refers to the solute and 3 to the solvent), for both polar and non-polar solutes (alkanes, alk-1-enes, alk-1-ynes, cycloalkanes, benzene, carbon tetrachloride, and methanol) in the ionic liquid 1-hexyl-3-methyl-imidazolium bis(trifluoromethylsulfonyl)-imide [HMIM][Tf 2 N] at three temperatures T=(298.15, 313.15, and 333.15) K have been determined by gas-liquid chromatography. The interaction at the gas-liquid interface between the solutes and the solvent was examined by varying solvent liquid loading on the column. Corrected retention values, taking carrier gas and solute imperfections into account, were determined and used to calculate the activity coefficients at infinite dilution. The results have been used to predict the solvent potential for the hexane/benzene separation from calculated selectivity values. The results were compared to γ 13 ∞ for similar systems found in the literature in an attempt to understand the effect of the nature of the cation and anion has on solute-solvent interactions. The partial molar excess enthalpies at infinite dilution values ΔH 1 E∞ were calculated from the experimental γ 13 ∞ values obtained over the temperature range
Discharge Coefficient of Rectangular Short-Crested Weir with Varying Slope Coefficients
Directory of Open Access Journals (Sweden)
Yuejun Chen
2018-02-01
Full Text Available Rectangular short-crested weirs are widely used for simple structure and high discharge capacity. As one of the most important and influential factors of discharge capacity, side slope can improve the hydraulic characteristics of weirs at special conditions. In order to systemically study the effects of upstream and downstream slope coefficients S1 and S2 on overflow discharge coefficient in a rectangular short-crested weir the Volume of Fluid (VOF method and the Renormalization Group (RNG κ-ε turbulence model are used. In this study, the slope coefficient ranges from V to 3H:1V and each model corresponds to five total energy heads of H0 ranging from 8.0 to 24.0 cm. Comparisons of discharge coefficients and free surface profiles between simulated and laboratory results display a good agreement. The simulated results show that the difference of discharge coefficients will decrease with upstream slopes and increase with downstream slopes as H0 increases. For a given H0, the discharge coefficient has a convex parabolic relation with S1 and a piecewise linearity relation with S2. The maximum discharge coefficient is always obtained at S2 = 0.8. There exists a difference between upstream and downstream slope coefficients in the influence range of free surface curvatures. Furthermore, a proposed discharge coefficient equation by nonlinear regression is a function of upstream and downstream slope coefficients.
Regional water coefficients for U.S. industrial sectors
Riccardo Boero; Donatella Pasqualini
2017-01-01
Designing policies for water systems management requires the capability to assess the economic impacts of water availability and to effectively couple water withdrawals by human activities with natural hydrologic dynamics. At the core of any scientific approach to these issues there is the estimation of water withdrawals by industrial sectors in the form of water coefficients, which are measurements of the quantity of water withdrawn per dollar of GDP or output. In this work we focus on the c...
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
The solubility and diffusion coefficient of helium in uranium dioxide
International Nuclear Information System (INIS)
Nakajima, Kunihisa; Serizawa, Hiroyuki; Shirasu, Noriko; Haga, Yoshinori; Arai, Yasuo
2011-01-01
Highlights: ► The solubility and diffusivity of He in single-crystal UO 2 were determined. ► The determined He solubility lay within the scatter of the available data. ► The determined He diffusivity was in good agreement with recent experimental data. ► The He behavior was analyzed in terms of a simple interstitial diffusion mechanism. ► The experimental diffusivity was much lower than that analyzed theoretically. - Abstract: The solubility and diffusion coefficient of helium in the single-crystal UO 2 samples were determined by a Knudsen-effusion mass-spectrometric method. The measured helium solubilities were found to lie within the scatter of the available data, but to be much lower than those for the polycrystalline samples. The diffusion analysis was conducted based on a hypothetical equivalent sphere model and the simple Fick’s law. The helium diffusion coefficient was determined by using the pre-exponential factor and activation energy as the fitting parameters for the measured and calculated fractional releases of helium. The optimized diffusion coefficients were in good agreement with those obtained by a nuclear reaction method reported in the past. It was also found that the pre-exponential factors of the determined diffusion coefficients were much lower than those analyzed in terms of a simple interstitial diffusion mechanism.
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)
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.
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)
Temporal correlation coefficient for directed networks.
Büttner, Kathrin; Salau, Jennifer; Krieter, Joachim
2016-01-01
Previous studies dealing with network theory focused mainly on the static aggregation of edges over specific time window lengths. Thus, most of the dynamic information gets lost. To assess the quality of such a static aggregation the temporal correlation coefficient can be calculated. It measures the overall possibility for an edge to persist between two consecutive snapshots. Up to now, this measure is only defined for undirected networks. Therefore, we introduce the adaption of the temporal correlation coefficient to directed networks. This new methodology enables the distinction between ingoing and outgoing edges. Besides a small example network presenting the single calculation steps, we also calculated the proposed measurements for a real pig trade network to emphasize the importance of considering the edge direction. The farm types at the beginning of the pork supply chain showed clearly higher values for the outgoing temporal correlation coefficient compared to the farm types at the end of the pork supply chain. These farm types showed higher values for the ingoing temporal correlation coefficient. The temporal correlation coefficient is a valuable tool to understand the structural dynamics of these systems, as it assesses the consistency of the edge configuration. The adaption of this measure for directed networks may help to preserve meaningful additional information about the investigated network that might get lost if the edge directions are ignored.
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
Determination of the gas-to-membrane mass transfer coefficient in a catalytic membrane reactor
Veldsink, J.W.; Versteeg, G.F.; Swaaij, W.P.M. van
1995-01-01
A novel method to determine the external mass transfer coefficient in catalytic membrane reactors (Sloot et al., 1992a, b) was presented in this study. In a catalytically active membrane reactor, in which a very fast reaction occurs, the external transfer coefficient can conveniently be measured by
Correlation coefficient measurement of the mode-locked laser tones using four-wave mixing.
Anthur, Aravind P; Panapakkam, Vivek; Vujicic, Vidak; Merghem, Kamel; Lelarge, Francois; Ramdane, Abderrahim; Barry, Liam P
2016-06-01
We use four-wave mixing to measure the correlation coefficient of comb tones in a quantum-dash mode-locked laser under passive and active locked regimes. We study the uncertainty in the measurement of the correlation coefficient of the proposed method.
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.
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...... of separate subcatchments. The method is demonstrated through a case study of an urban drainage catchment (678ha) located in the municipality of Aarhus, Denmark. The study has proven it is possible to use corresponding measurements of the relative rainfall distribution over the catchment and runoff...... measurements to identify the runoff coefficients at subcatchment level. The number of potential subcatchments is limited by the number of available rainfall events with a sufficient spatial variability....
Experimental determination of fission gas adsorption coefficients
International Nuclear Information System (INIS)
Lovell, R.; Underhill, D.W.
1979-01-01
Large charcoal beds have been used for a number of years for the holdup and decay of radioactive isotopes of krypton and xenon. Reliable design of these beds depends on an accurate knowledge of the adsorption coefficient of krypton and xenon on the adsorbents used in these beds. It is somewhat surprising that there is no standard procedure of determining the adsorption coefficient for krypton and xenon. Fundamental information needed to establish a standardized reproducible test procedure is given emphasizing the breakthrough curves commonly used to analyze dynamic adsorption data can lead to serious systematic errors and the fact that the adsorption coefficient, if calculated from the arithmetic holding time, is independent of geometric factors such as the shape of the adsorption bed and the irregular shape of the adsorbent
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...... to determine the new groups, and will in a companion paper be used to prove a universal multi-coefficient theorem for the one distinguished ideal case for a large class of algebras......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...
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.
International Nuclear Information System (INIS)
Tsuji, Masashi; Aoki, Yukinori; Shimazu, Yoichiro; Yamasaki, Masatoshi; Hanayama, Yasushi
2006-01-01
A method to evaluate the moderator coefficient (MTC) and the Doppler coefficient through experimental procedures performed during reactor physics tests of PWR power plants is proposed. This method combines isothermal temperature coefficient (ITC) measurement experiments and reactor power transient experiments at low power conditions for dynamic identification. In the dynamic identification, either one of temperature coefficients can be determined in such a way that frequency response characteristics of the reactivity change observed by a digital reactivity meter is reproduced from measured data of neutron count rate and the average coolant temperature. The other unknown coefficient can also be determined by subtracting the coefficient obtained from the dynamic identification from ITC. As the proposed method can directly estimate the Doppler coefficient, the applicability of the conventional core design codes to predict the Doppler coefficient can be verified for new types of fuels such as mixed oxide fuels. The digital simulation study was carried out to show the feasibility of the proposed method. The numerical analysis showed that the MTC and the Doppler coefficient can be estimated accurately and even if there are uncertainties in the parameters of the reactor kinetics model, the accuracies of the estimated values are not seriously impaired. (author)
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
Diffusion and transport coefficients in synthetic opals
International Nuclear Information System (INIS)
Sofo, J. O.; Mahan, G. D.
2000-01-01
Opals are structures composed of close-packed spheres in the size range of nano to micrometers. They are sintered to create small necks at the points of contact. We have solved the diffusion problem in such structures. The relation between the diffusion coefficient and the thermal and electrical conductivity is used to estimate the transport coefficients of opal structures as a function of the neck size and the mean free path of the carriers. The theory presented is also applicable to the diffusion problem in other periodic structures. (c) 2000 The American Physical Society
A Simple Measure of Price Adjustment Coefficients.
Damodaran, Aswath
1993-01-01
One measure of market efficiency is the speed with which prices adjust to new information. The author develops a simple approach to estimating these price adjustment coefficients by using the information in return processes. This approach is used to estimate t he price adjustment coefficients for firms listed on the NYSE and the A MEX as well as for over-the-counter stocks. The author finds evidence of a lagged adjustment to new information in shorter return intervals for firms in all market ...
Absorption coefficient instrument for turbid natural waters
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.
Transfer of risk coefficients across populations
International Nuclear Information System (INIS)
Rasmussen, L.R.
1992-01-01
The variation of lifetime risk projections for a Canadian population caused by the uncertainty in the choice of method for transferring excess relative risk coefficients between populations is assessed. Site-specific projections, varied by factors up to 3.5 when excess risk coefficients of the BEIR V relative risk models were transferred to the Canadian population using an additive and multiplicative method. When the risk from all cancers are combined, differences between transfer methods were no longer significant. The Canadian projections were consistent with the ICRP-60 nominal fatal cancer risk estimates. (author)
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
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)
ANL results for LMFR reactivity coefficients benchmark
International Nuclear Information System (INIS)
Hill, Robert
2000-01-01
The fast reactor analysis methods developed at ANL were extensively tested in ZPR and ZPPR experiments, applied to EBR-2 and FFTF test reactors. The basic nuclear data library used was ENDF/B-V.2 with the ETOE-2 data processing code and the ENDF/B-VI. Multigroup constants were generated by Monte Carlo code MCNP 2 -2. Neutron flux calculation were done by DIF3D code applying neutron diffusion theory and finite difference method. The results obtained include basic parameters; fuel and structure regional Doppler coefficients; geometry expansion fuel coefficients; kinetics parameters. In general, agreement between phase 1 and 2 results were excellent
International Nuclear Information System (INIS)
Bahadur, Indra; Govender, Byron Bradley; Osman, Khalid; Williams-Wynn, Mark D.; Nelson, Wayne Michael; Naidoo, Paramespri; Ramjugernath, Deresh
2014-01-01
Highlights: • Activity coefficients at infinite dilution measured in the ionic liquid [EMIM] + [MDEGSO 4 ] − . • 28 organic solutes investigated at T = (308.15, 313.15, 323.15 and 333.15) K using glc. • Selectivities for selected hexane/benzene separations compared to other IL’s and solvents. • IL shows higher selectivities than conventional solvents such as NMP, NFM, and sulfolane. -- Abstract: In this study, the interactions between volatile organic compounds and the ionic liquid (IL) 1-ethyl-3-methylimidazolium 2-(2-methoxyethoxy) ethylsulfate [EMIM] + [MDEGSO 4 ] − were investigated using gas + liquid chromatography measurements. The activity coefficients at infinite dilution γ 13 ∞ were determined for 28 polar and non-polar organic solutes (alkanes, cycloalkanes, alkenes, alkynes, aromatic compounds, alcohols, and ketones) in 1-ethyl-3-methylimidazolium 2-(2-methoxyethoxy) ethylsulfate at T = (308.15, 313.15, 323.15 and 333.15) K. Packed columns with phase loadings of 0.27 and 0.37 mass fraction of the IL in the stationary phase were employed to obtain γ 13 ∞ values at each temperature. Density and refractive index values were also measured for the pure IL at P = 0.1 MPa and at the experimental temperatures. Partial molar excess enthalpies at infinite dilution ΔH 1 E,∞ were calculated for the solutes from the temperature dependency of the γ 13 ∞ values. The uncertainties in the activity coefficient at infinite dilution were critically evaluated and estimated on average to be ±5.3%. Selectivity values at infinite dilution S ij ∞ for the hexane/benzene separation were also calculated at T = 308.15 K. The selectivity S ij ∞ value of the IL investigated in this study is approximately 3.7 times greater than that for NMP, 2.6 times greater than that for NFM, and 2.3 times greater than that for sulfolane. These results indicate the potential use of this IL in extractive separation processes
Friction Coefficient Determination by Electrical Resistance Measurements
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…
Bayesian Meta-Analysis of Coefficient Alpha
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…
Tracking time-varying coefficient-functions
DEFF Research Database (Denmark)
Nielsen, Henrik Aalborg; Nielsen, Torben Skov; Joensen, Alfred K.
2000-01-01
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...... are studied by simulation...
On finding algebraic expressions for genealogical coefficients
International Nuclear Information System (INIS)
Kanyauskas, J.M.; Shimonis, V.Ch.; Rudzikas, Z.B.
1979-01-01
It has been attempted to obtain analytical expressions for genealogical coefficients with one detached electron in the case of L-S coupling. A method of second quantization and tensorial properties of the quasi-spin operator are applied. It is restricted to the states for the classification of which the seigniority quantum number v is sufficient. Three ways of the acquirement of these expressions are discussed: 1. In the recurrent way wave functions of N and N-1 electrons are built, consequently expressing these functions in terms of the creation-annihilation operators. 2. Recurrent summation with the use of evident, simple genealogical coefficients. 3. Using the ratios, connecting the genealogical coefficients with the normalized multiplier. The data are presented in formulae and discussions. The generalization of the Redmond's formula is obtained and relatively simple algebraic expressions of the genealogical coefficients of the equivalent electron configurations, for the distinction of the recurrent terms of which introduction of the seigniority quantum number v is sufficient, are given
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.)
Problems on Divisibility of Binomial Coefficients
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…
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....
Molecular Diffusion Coefficients: Experimental Determination and Demonstration.
Fate, Gwendolyn; Lynn, David G.
1990-01-01
Presented are laboratory methods which allow the demonstration and determination of the diffusion coefficients of compounds ranging in size from water to small proteins. Included are the procedures involving the use of a spectrometer, UV cell, triterated agar, and oxygen diffusion. Results including quantification are described. (CW)
Absorption coefficients of silicon: A theoretical treatment
Tsai, Chin-Yi
2018-05-01
A theoretical model with explicit formulas for calculating the optical absorption and gain coefficients of silicon is presented. It incorporates direct and indirect interband transitions and considers the effects of occupied/unoccupied carrier states. The indirect interband transition is calculated from the second-order time-independent perturbation theory of quantum mechanics by incorporating all eight possible routes of absorption or emission of photons and phonons. Absorption coefficients of silicon are calculated from these formulas. The agreements and discrepancies among the calculated results, the Rajkanan-Singh-Shewchun (RSS) formula, and Green's data are investigated and discussed. For example, the RSS formula tends to overestimate the contributions of indirect transitions for cases with high photon energy. The results show that the state occupied/unoccupied effect is almost negligible for silicon absorption coefficients up to the onset of the optical gain condition where the energy separation of Quasi-Femi levels between electrons and holes is larger than the band-gap energy. The usefulness of using the physics-based formulas, rather than semi-empirical fitting ones, for absorption coefficients in theoretical studies of photovoltaic devices is also discussed.
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...
Coefficient Omega Bootstrap Confidence Intervals: Nonnormal Distributions
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.…
Probability based calibration of pressure coefficients
DEFF Research Database (Denmark)
Hansen, Svend Ole; Pedersen, Marie Louise; Sørensen, John Dalsgaard
2015-01-01
Normally, a consistent basis for calculating partial factors focuses on a homogeneous reliability index neither depending on which material the structure is constructed of nor the ratio between the permanent and variable actions acting on the structure. Furthermore, the reliability index should n...... the characteristic shape coefficients are based on mean values as specified in background documents to the Eurocodes. Importance of hidden safeties judging the reliability is discussed for wind actions on low-rise structures....... not depend on the type of variable action. A probability based calibration of pressure coefficients have been carried out using pressure measurements on the standard CAARC building modelled on scale of 1:383. The extreme pressures measured on the CAARC building model in the wind tunnel have been fitted.......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...
Correlation Coefficients: Appropriate Use and Interpretation.
Schober, Patrick; Boer, Christa; Schwarte, Lothar A
2018-05-01
Correlation in the broadest sense is a measure of an association between variables. In correlated data, the change in the magnitude of 1 variable is associated with a change in the magnitude of another variable, either in the same (positive correlation) or in the opposite (negative correlation) direction. Most often, the term correlation is used in the context of a linear relationship between 2 continuous variables and expressed as Pearson product-moment correlation. The Pearson correlation coefficient is typically used for jointly normally distributed data (data that follow a bivariate normal distribution). For nonnormally distributed continuous data, for ordinal data, or for data with relevant outliers, a Spearman rank correlation can be used as a measure of a monotonic association. Both correlation coefficients are scaled such that they range from -1 to +1, where 0 indicates that there is no linear or monotonic association, and the relationship gets stronger and ultimately approaches a straight line (Pearson correlation) or a constantly increasing or decreasing curve (Spearman correlation) as the coefficient approaches an absolute value of 1. Hypothesis tests and confidence intervals can be used to address the statistical significance of the results and to estimate the strength of the relationship in the population from which the data were sampled. The aim of this tutorial is to guide researchers and clinicians in the appropriate use and interpretation of correlation coefficients.
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)
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.
DEFF Research Database (Denmark)
Jeong, Cheol-Ho; Chang, Ji-ho
2015-01-01
largely depending on the test room. Several conversion methods for porous absorbers from the Sabine absorption coefficient to the random incidence absorption coefficient were suggested by considering the finite size of a test specimen and non-uniformly incident energy onto the specimen, which turned out...... resistivity optimization outperforms the surface impedance optimization in terms of the reproducibility....
Mohammed, Ahmed; Zeleke, Aklilu
2015-01-01
We introduce a class of second-order ordinary differential equations (ODEs) with variable coefficients whose closed-form solutions can be obtained by the same method used to solve ODEs with constant coefficients. General solutions for the homogeneous case are discussed.
Drag coefficient Variability and Thermospheric models
Moe, Kenneth
Satellite drag coefficients depend upon a variety of factors: The shape of the satellite, its altitude, the eccentricity of its orbit, the temperature and mean molecular mass of the ambient atmosphere, and the time in the sunspot cycle. At altitudes where the mean free path of the atmospheric molecules is large compared to the dimensions of the satellite, the drag coefficients can be determined from the theory of free-molecule flow. The dependence on altitude is caused by the concentration of atomic oxygen which plays an important role by its ability to adsorb on the satellite surface and thereby affect the energy loss of molecules striking the surface. The eccentricity of the orbit determines the satellite velocity at perigee, and therefore the energy of the incident molecules relative to the energy of adsorption of atomic oxygen atoms on the surface. The temperature of the ambient atmosphere determines the extent to which the random thermal motion of the molecules influences the momentum transfer to the satellite. The time in the sunspot cycle affects the ambient temperature as well as the concentration of atomic oxygen at a particular altitude. Tables and graphs will be used to illustrate the variability of drag coefficients. Before there were any measurements of gas-surface interactions in orbit, Izakov and Cook independently made an excellent estimate that the drag coefficient of satellites of compact shape would be 2.2. That numerical value, independent of altitude, was used by Jacchia to construct his model from the early measurements of satellite drag. Consequently, there is an altitude dependent bias in the model. From the sparce orbital experiments that have been done, we know that the molecules which strike satellite surfaces rebound in a diffuse angular distribution with an energy loss given by the energy accommodation coefficient. As more evidence accumulates on the energy loss, more realistic drag coefficients are being calculated. These improved drag
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
International Nuclear Information System (INIS)
M'Malla
1976-01-01
Within the frame of a study of ion preferential solvation in hydro-organic media, the author reports some measurements of ionic conductivities of the Na + ion in mixtures of different proportions of water and THF (tetrahydrofuran), and more specifically the use of a recently developed method of transport number measurement. The author explains the general definition of the transport number, recalls usual measurement methods (Hittorf method, moving boundary method), describes the method principle, the measurement process, reports the assessment of corrective terms in the calculation of the transport number, and presents and comments the obtained results. A second part addresses the influence of activity coefficient gradient on the couple scattering and self-scattering phenomenon: self-scattering measurement with a tracer, theoretical aspects of coupled scattering, experimental results and discussion
Nondestructive hall coefficient measurements using ACPD techniques
Velicheti, Dheeraj; Nagy, Peter B.; Hassan, Waled
2018-04-01
Hall coefficient measurements offer great opportunities as well as major challenges for nondestructive materials characterization. The Hall effect is produced by the magnetic Lorentz force acting on moving charge carriers in the presence of an applied magnetic field. The magnetic perturbation gives rise to a Hall current that is normal to the conduction current but does not directly perturb the electric potential distribution. Therefore, Hall coefficient measurements usually exploit the so-called transverse galvanomagnetic potential drop effect that arises when the Hall current is intercepted by the boundaries of the specimen and thereby produce a measurable potential drop. In contrast, no Hall potential is produced in a large plate in the presence of a uniform normal field at quasi-static low frequencies. In other words, conventional Hall coefficient measurements are inherently destructive since they require cutting the material under tests. This study investigated the feasibility of using alternating current potential drop (ACPD) techniques for nondestructive Hall coefficient measurements in plates. Specifically, the directional four-point square-electrode configuration is investigated with superimposed external magnetic field. Two methods are suggested to make Hall coefficient measurements in large plates without destructive machining. At low frequencies, constraining the bias magnetic field can replace constraining the dimensions of the specimen, which is inherently destructive. For example, when a cylindrical permanent magnet is used to provide the bias magnetic field, the peak Hall voltage is produced when the diameter of the magnet is equal to the diagonal of the square ACPD probe. Although this method is less effective than cutting the specimen to a finite size, the loss of sensitivity is less than one order of magnitude even at very low frequencies. In contrast, at sufficiently high inspection frequencies the magnetic field of the Hall current induces a
Frictional coefficient depending on active friction radius with BPV ...
African Journals Online (AJOL)
www.ajol.info/index.php/ijest ... parameters acquired using the braking system and predetermined values. ... subjected to the variations in the incompressibility of the hydraulic brake fluid, introducing air can have detrimental effects on the ... process. Degestein et al. (2006) concluded that uniform surface pressing occurs due ...
Estimation of radon emanation coefficient for soil and flyash
International Nuclear Information System (INIS)
Sahu, S.K.; Swarnkar, M.; Ajmal, P.Y.; Pandit, G.G.; Puranik, V.D.
2012-01-01
Since terrestrial materials include radium ( 226 Ra) originating from the decay of uranium ( 238 U), all such materials release radon ( 222 Rn) to varying degrees. When a radium atom decays to radon, the energy generated is strong enough to send the radon atom a distance of about 40 nanometers-this is known as alpha recoil. For a radon atom to escape the radium atom must be within the recoil distance from the grain surface of flyash or soil and the direction of recoil must send the radon atom toward the outside of the grain. Therefore, all of the radon atoms generated by the radium contained in flyash or soil grain are actually not released into pore spaces and mobilized. The fraction of radon atoms generated from radium decay that are released from into flyash or soil pore space is defined as the radon emanation coefficient or emanating power, of the material. Grain size and shape are two of the important factors that control the radon emanation coefficient because they determine in part how much uranium and radium is near enough to the surface of the grain to allow the newly-formed radon to escape into a pore space. In a porous medium, where the radon is in radioactive equilibrium with its parent radium, the emanation coefficient is given by the expression: where C 0 is the undiluted radon activity concentration in the pores of the medium, and C Ra is the radium activity concentration of the sample. The 226 Ra activity concentration of the flyash and soil sample were determined by using the g-spectrometry. C 0 was determined by the can experiment using LR-115 for flyash and soil samples. The C 0 values for flyash and soil samples were found to be 245.7 Bq/m 3 and 714.3 Bq/m 3 respectively. The radon emanation coefficient for flyash was found to be 0.0024 while that for soil was 0.0092. Therefore the soil sample was found to be four times higher radon emanation coefficient than flyash which is in line with the results reported in the literatures. This may suggest
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)
Midgley, S M
2004-01-21
A novel parameterization of x-ray interaction cross-sections is developed, and employed to describe the x-ray linear attenuation coefficient and mass energy absorption coefficient for both elements and mixtures. The new parameterization scheme addresses the Z-dependence of elemental cross-sections (per electron) using a simple function of atomic number, Z. This obviates the need for a complicated mathematical formalism. Energy dependent coefficients describe the Z-direction curvature of the cross-sections. The composition dependent quantities are the electron density and statistical moments describing the elemental distribution. We show that it is possible to describe elemental cross-sections for the entire periodic table and at energies above the K-edge (from 6 keV to 125 MeV), with an accuracy of better than 2% using a parameterization containing not more than five coefficients. For the biologically important elements 1 coefficients. At higher energies, the parameterization uses fewer coefficients with only two coefficients needed at megavoltage energies.
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
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.
Heat transfer coefficients during quenching of steels
Energy Technology Data Exchange (ETDEWEB)
Hasan, H.S.; Jalil, J.M. [University of Technology, Department of Electromechanical Engineering, Baghdad (Iraq); Peet, M.J.; Bhadeshia, H.K.D.H. [University of Cambridge, Department of Materials Science and Metallurgy, Cambridge (United Kingdom)
2011-03-15
Heat transfer coefficients for quenching in water have been measured as a function of temperature using steel probes for a variety of iron alloys. The coefficients were derived from measured cooling curves combined with calculated heat-capacities. The resulting data were then used to calculate cooling curves using the finite volume method for a large steel sample and these curves have been demonstrated to be consistent with measured values for the large sample. Furthermore, by combining the estimated cooling curves with time-temperature-transformation (TTT) diagrams it has been possible to predict the variation of hardness as a function of distance via the quench factor analysis. The work should prove useful in the heat treatment of the steels studied, some of which are in the development stage. (orig.)
Fractal diffusion coefficient from dynamical zeta functions
Energy Technology Data Exchange (ETDEWEB)
Cristadoro, Giampaolo [Max Planck Institute for the Physics of Complex Systems, Noethnitzer Str. 38, D 01187 Dresden (Germany)
2006-03-10
Dynamical zeta functions provide a powerful method to analyse low-dimensional dynamical systems when the underlying symbolic dynamics is under control. On the other hand, even simple one-dimensional maps can show an intricate structure of the grammar rules that may lead to a non-smooth dependence of global observables on parameters changes. A paradigmatic example is the fractal diffusion coefficient arising in a simple piecewise linear one-dimensional map of the real line. Using the Baladi-Ruelle generalization of the Milnor-Thurnston kneading determinant, we provide the exact dynamical zeta function for such a map and compute the diffusion coefficient from its smallest zero. (letter to the editor)
Fractal diffusion coefficient from dynamical zeta functions
International Nuclear Information System (INIS)
Cristadoro, Giampaolo
2006-01-01
Dynamical zeta functions provide a powerful method to analyse low-dimensional dynamical systems when the underlying symbolic dynamics is under control. On the other hand, even simple one-dimensional maps can show an intricate structure of the grammar rules that may lead to a non-smooth dependence of global observables on parameters changes. A paradigmatic example is the fractal diffusion coefficient arising in a simple piecewise linear one-dimensional map of the real line. Using the Baladi-Ruelle generalization of the Milnor-Thurnston kneading determinant, we provide the exact dynamical zeta function for such a map and compute the diffusion coefficient from its smallest zero. (letter to the editor)
Asymptotic normalization coefficients and astrophysical factors
International Nuclear Information System (INIS)
Mukhamedzhanov, A.M.; Azhari, A.; Clark, H.L.; Gagliardi, C.A.; Lui, Y.-W.; Sattarov, A.; Trache, L.; Tribble, R.E.; Burjan, V.; Kroha, V.; Carstoiu, F.
2000-01-01
The S factor for the direct capture reaction 7 Be(p,γ) 8 B can be found at astrophysical energies from the asymptotic normalization coefficients (ANC's) which provide the normalization of the tails of the overlap functions for 8 B → 7 Be + p. Peripheral transfer reactions offer a technique to determine these ANC's. Using this technique, the 10 B( 7 Be, 8 B) 9 Be and 14 N( 7 Be, 8 B) 13 C reactions have been used to measure the asymptotic normalization coefficient for 7 Be(p, γ) 8 B. These results provide an indirect determination of S 17 (0). Analysis of the existing 9 Be(p, γ) 10 B experimental data within the framework of the R-matrix method demonstrates that experimentally measured ANC's can provide a reasonable determination of direct radiative capture rates. (author)
Differences between charged-current coefficient functions
International Nuclear Information System (INIS)
Moch, S.; Rogal, M.; Vogt, A.
2007-08-01
Second- and third-order results are presented for the structure functions of charged-current deepinelastic scattering in the framework of massless perturbative QCD. We write down the two-loop differences between the corresponding crossing-even and -odd coefficient functions, including those for the longitudinal structure function not covered in the literature so far. At three loops we compute the lowest five moments of these differences for all three structure functions and provide approximate expressions in Bjorken-x space. Also calculated is the related third-order coefficient-function correction to the Gottfried sum rule. We confirm the conjectured suppression of these quantities if the number of colours is large. Finally we derive the second- and third-order QCD contributions to the Paschos-Wolfenstein ratio used for the determination of the weak mixing angle from neutrino-nucleon deep-inelastic scattering. These contributions are found to be small. (orig.)
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.
Atomic rate coefficients in a degenerate plasma
Aslanyan, Valentin; Tallents, Greg
2015-11-01
The electrons in a dense, degenerate plasma follow Fermi-Dirac statistics, which deviate significantly in this regime from the usual Maxwell-Boltzmann approach used by many models. We present methods to calculate the atomic rate coefficients for the Fermi-Dirac distribution and present a comparison of the ionization fraction of carbon calculated using both models. We have found that for densities close to solid, although the discrepancy is small for LTE conditions, there is a large divergence from the ionization fraction by using classical rate coefficients in the presence of strong photoionizing radiation. We have found that using these modified rates and the degenerate heat capacity may affect the time evolution of a plasma subject to extreme ultraviolet and x-ray radiation such as produced in free electron laser irradiation of solid targets.
Relations between coefficients of fractional parentage
International Nuclear Information System (INIS)
Zamick, L.
2007-01-01
For each of the (9/2) (11/2), and (13/2) single j shells we have only one state with J=j v=3 for a five particle system. For four identical particles there can be more than one state of seniority four. We note some 'ratio' relations for the coefficients of fractional parentage for the four and five identical particle systems, which are found in the works of de Shalit and Talmi [Nuclear Shell Theory (Academic Press, New York, 1963)] and Talmi [Simple Models of Complex Nuclei (Harwood Academic, Reading, UK, 1993)] to be useful for explaining the vanishing of a five particle coefficients of fractional parentage (cfp). These relations are used to show that there is a special (g 9/2 ) 4 I=4 v=4 wave function that cannot be admixed with an I=4 v=2 wave function, even with seniority violating interactions
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
Diffusion coefficient calculations for cylindrical cells
International Nuclear Information System (INIS)
Lam-Hime, M.
1983-03-01
An accurate and general diffusion coefficient calculation for cylindrical cells is described using isotropic scattering integral transport theory. This method has been particularly applied to large regular lattices of graphite-moderated reactors with annular coolant channels. The cells are divided into homogeneous zones, and a zone-wise flux expansion is used to formulate a collision probability problem. The reflection of neutrons at the cell boundary is accounted for by the conservation of the neutron momentum. The uncorrected diffusion coefficient Benoist's definition is used, and the described formulation does not neglect any effect. Angular correlation terms, energy coupling non-uniformity and anisotropy of the classical flux are exactly taken into account. Results for gas-graphite typical cells are given showing the importance of these approximations
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)
Differences between charged-current coefficient functions
Energy Technology Data Exchange (ETDEWEB)
Moch, S.; Rogal, M. [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany); Vogt, A. [Liverpool Univ. (United Kingdom). Dept. of Mathematical Sciences
2007-08-15
Second- and third-order results are presented for the structure functions of charged-current deepinelastic scattering in the framework of massless perturbative QCD. We write down the two-loop differences between the corresponding crossing-even and -odd coefficient functions, including those for the longitudinal structure function not covered in the literature so far. At three loops we compute the lowest five moments of these differences for all three structure functions and provide approximate expressions in Bjorken-x space. Also calculated is the related third-order coefficient-function correction to the Gottfried sum rule. We confirm the conjectured suppression of these quantities if the number of colours is large. Finally we derive the second- and third-order QCD contributions to the Paschos-Wolfenstein ratio used for the determination of the weak mixing angle from neutrino-nucleon deep-inelastic scattering. These contributions are found to be small. (orig.)
Zhang, Juping; Yang, Chan; Jin, Zhen; Li, Jia
2018-07-14
In this paper, the correlation coefficients between nodes in states are used as dynamic variables, and we construct SIR epidemic dynamic models with correlation coefficients by using the pair approximation method in static networks and dynamic networks, respectively. Considering the clustering coefficient of the network, we analytically investigate the existence and the local asymptotic stability of each equilibrium of these models and derive threshold values for the prevalence of diseases. Additionally, we obtain two equivalent epidemic thresholds in dynamic networks, which are compared with the results of the mean field equations. Copyright © 2018 Elsevier Ltd. All rights reserved.
Estimation of grass to cow's milk transfer coefficients for emergency situations
International Nuclear Information System (INIS)
Ujwal, P.; Karunakara, N.; Yashodhara, I.; Rao, Chetan; Kumara, Sudeep; Dileep, B.N.; Ravi, P.M.
2012-01-01
Several studies have been reported on soil to grass equilibrium transfer factors and grass to cow's milk transfer coefficients for 137 Cs for the environs of different nuclear power plants of both India and other parts of the world. In such studies, the activity concentration of 137 Cs is measured in grass collected from different places. Cow's milk samples are collected from nearby localities or from milk dairies and analyzed for 137 Cs and the grass to cow's milk transfer coefficient is estimated. In situation where 137 Cs is not present in measurable activity concentrations, its stable counterpart (Cs) is measured for the estimation of transfer coefficients. These transfer coefficient values are generally used in theoretical models to estimate the dose to the population for hypothetical situation of emergency. It should be noted that the transfer coefficients obtained for equilibrium conditions may not be totally applicable for emergency situation. However, studies aimed at evaluating transfer coefficients for emergency situations are sparse because nuclear power plants do not release 137 Cs during normal operating situations and therefore simulating situation of emergency release is not possible. Hence, the only method to estimate the grass to milk transfer coefficient for emergency situation is to spike the grass with small quantity of stable Cs. This paper reports the results of grass to milk transfer coefficients for stable isotope of Cesium (Cs) for emergency situation
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)
Thin film description by wavelet coefficients statistics
Czech Academy of Sciences Publication Activity Database
Boldyš, Jiří; Hrach, R.
2005-01-01
Roč. 55, č. 1 (2005), s. 55-64 ISSN 0011-4626 Grant - others:GA UK(CZ) 173/2003 Institutional research plan: CEZ:AV0Z10750506 Keywords : thin films * wavelet transform * descriptors * histogram model Subject RIV: BD - Theory of Information Impact factor: 0.360, year: 2005 http://library.utia.cas.cz/separaty/2009/ZOI/boldys-thin film description by wavelet coefficients statistics .pdf
Analytic posteriors for Pearson's correlation coefficient.
Ly, Alexander; Marsman, Maarten; Wagenmakers, Eric-Jan
2018-02-01
Pearson's correlation is one of the most common measures of linear dependence. Recently, Bernardo (11th International Workshop on Objective Bayes Methodology, 2015) introduced a flexible class of priors to study this measure in a Bayesian setting. For this large class of priors, we show that the (marginal) posterior for Pearson's correlation coefficient and all of the posterior moments are analytic. Our results are available in the open-source software package JASP.
Analytic posteriors for Pearson's correlation coefficient
Ly, A.; Marsman, M.; Wagenmakers, E.-J.
2018-01-01
Pearson's correlation is one of the most common measures of linear dependence. Recently, Bernardo (11th International Workshop on Objective Bayes Methodology, 2015) introduced a flexible class of priors to study this measure in a Bayesian setting. For this large class of priors, we show that the (marginal) posterior for Pearson's correlation coefficient and all of the posterior moments are analytic. Our results are available in the open‐source software package JASP.
Transport Coefficients from Large Deviation Functions
Gao, Chloe Ya; Limmer, David T.
2017-01-01
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 th...
Correlation and prediction of gaseous diffusion coefficients.
Marrero, T. R.; Mason, E. A.
1973-01-01
A new correlation method for binary gaseous diffusion coefficients from very low temperatures to 10,000 K is proposed based on an extended principle of corresponding states, and having greater range and accuracy than previous correlations. There are two correlation parameters that are related to other physical quantities and that are predictable in the absence of diffusion measurements. Quantum effects and composition dependence are included, but high-pressure effects are not. The results are directly applicable to multicomponent mixtures.
Moderator temperature coefficient in BWR core
International Nuclear Information System (INIS)
Naito, Yoshitaka
1977-01-01
Temperature dependences of infinite multiplication factor k sub(infinity) and neutron leakage from the core must be examined for estimation of moderator temperature coefficient. Temperature dependence on k sub(infinity) has been investigated by many researchers, however, the dependence on neutron leakage of a BWR with cruciformed control rods has hardly been done. Because there are difficulties and necessity on calculations of three space dimensional and multi-energy groups neutron distribution in a BWR core. In this study, moderator temperature coefficients of JPDR-II (BWR) core were obtained by calculation with DIFFUSION-ACE, which is newly developed three-dimensional multi-group computer code. The results were compared with experimental data measured from 20 to 275 0 C of the moderator temperature and the good agreement was obtained between calculation and measurement. In order to evaluate neutron leakage from the core, the other two calculations were carried out, adjusting criticality by uniform absorption rate and by material buckling. The former underestimated neutron leakage and the latter overestimated it. Discussion on the results shows that in order to estimate the temperature coefficient of BWR, neutron leakage must be evaluated precisely, therefore the calculation at actual pattern of control rods is necessary. (auth.)
Analysis of flow coefficient in chair manufacture
Directory of Open Access Journals (Sweden)
Ivković Dragoljub
2005-01-01
Full Text Available The delivery on time is not possible without the good-quality planning of deadlines, i.e. planning of the manufacturing process duration. The study of flow coefficient enables the realistic forecasting of the manufacturing process duration. This paper points to the significance of the study of flow coefficient on scientific basis so as to determine the terms of the end of the manufacture of chairs made of sawn timber. Chairs are the products of complex construction, often almost completely made of sawn timber as the basic material. They belong to the group of export products, so it is especially significant to analyze the duration of the production cycle, and the type and the degree of stoppages in this type of production. Parallel method of production is applied in chair manufacture. The study shows that the value of flow coefficient is close to one or higher, in most cases. The results indicate that the percentage of interoperational stoppage is unjustifiably high, so it is proposed how to decrease the percentage of stoppages in the manufacturing process.
Varying coefficients model with measurement error.
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.
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
Optimized Finite-Difference Coefficients for Hydroacoustic Modeling
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.
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
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
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
Quenching of Einstein-coefficients by photons
International Nuclear Information System (INIS)
Aumayr, F.; Skinner, C.H.; Suckewer, S.; Princeton Univ., NJ; Lee, W.
1991-02-01
Experimental evidence is presented for the change of Einstein's A-coefficients for spontaneous transitions from the upper laser level of an 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
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
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)
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)
Friction coefficient determination by electrical resistance measurements
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.
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...
Kinetic coefficients for quark-antiquark plasma
International Nuclear Information System (INIS)
Czyz, W.; Florkowski, W.
1986-03-01
The quark-antiquark plasma near equilibrium is studied. The results are based on the Heinz kinetic equations with the Boltzmann collision operator approximated by a relaxation term with the relaxation time, τ, treated as a small parameter. Linear in τ solutions of these equations are used to calculate the transport coefficients: the non-abelian version of Ohm's law, and the shear and volume viscosities. We introduce new chemical potentials which determine the color density matrix of quarks (antiquarks). Gradients of these potentials generate color currents. 12 refs. (author)
Forecast Correlation Coefficient Matrix of Stock Returns in Portfolio Analysis
Zhao, Feng
2013-01-01
In Modern Portfolio Theory, the correlation coefficients decide the risk of a set of stocks in the portfolio. So, to understand the correlation coefficients between returns of stocks, is a challenge but is very important for the portfolio management. Usually, the stocks with small correlation coefficients or even negative correlation coefficients are preferred. One can calculate the correlation coefficients of stock returns based on the historical stock data. However, in order to control the ...
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.
Link prediction with node clustering coefficient
Wu, Zhihao; Lin, Youfang; Wang, Jing; Gregory, Steve
2016-06-01
Predicting missing links in incomplete complex networks efficiently and accurately is still a challenging problem. The recently proposed Cannistrai-Alanis-Ravai (CAR) index shows the power of local link/triangle information in improving link-prediction accuracy. Inspired by the idea of employing local link/triangle information, we propose a new similarity index with more local structure information. In our method, local link/triangle structure information can be conveyed by clustering coefficient of common-neighbors directly. The reason why clustering coefficient has good effectiveness in estimating the contribution of a common-neighbor is that it employs links existing between neighbors of a common-neighbor and these links have the same structural position with the candidate link to this common-neighbor. In our experiments, three estimators: precision, AUP and AUC are used to evaluate the accuracy of link prediction algorithms. Experimental results on ten tested networks drawn from various fields show that our new index is more effective in predicting missing links than CAR index, especially for networks with low correlation between number of common-neighbors and number of links between common-neighbors.
Graphical comparison of calculated internal conversion coefficients
International Nuclear Information System (INIS)
Ewbank, W.B.
1980-11-01
Calculated values of the coefficients of internal conversion of gamma rays in the K shell and L 1 , L 2 , L 3 subshells from published tabulations by Band and Trzhaskovskaya and by Roesel et al. at Data Nucl. Data Tables, 21, 92-514(1978) are compared with values obtained by computer interpolation among tabulated values of Hager and Seltzer Nucl. Data, A4, 1-235(1968). In some cases, agreement among the three calculations is remarkably good, and differences are generally less than 5%. In a few cases, there are differences as large as 20 to 50%, corresponding to the threshold effect described by Roesel et al. The Z-dependent resonance minimum described by Roesel et al. is also observed in the comparison of E1-E4 conversion in the L 1 subshell. In several cases (notably M1-M4 conversion in the K shell and L 1 subshell), the Band and Roesel calculations show dramatically different dependence on gamma energy and atomic number. For Z = 100, the Band calculation for E4 conversion in the L 3 subshell shows irregular behavior at energies below the K-shell binding energy. A few high-quality measurements of internal conversion coefficients (+-5%) would help greatly to establish a basis for choice among the theoretical calculations. 32 figures
Transport coefficients of a dissociating gas
International Nuclear Information System (INIS)
Lebed', I.V.
1987-01-01
The calculation of the transport coefficients of a dissociating gas involves fundamental difficulties which arise when the internal degrees of freedom of the molecules are taken strictly into account. In practical calculations extensive use is made of the approximation in the context of which the dependence of a diffusion velocity of the molecule on its internal state is totally neglected. In this case the expressions for the stress tensor and the diffusion velocities coincide with the corresponding expressions for a mixture of structureless particles; in the expression for the heat flux the diffusion transport of internal energy is taken only approximately into account. Here, analytic expressions for the diffusion velocities, heat flux and stress tensor are obtained without introducing simplifying assumptions. The calculation method is based on an approximate method of calculating the transport coefficients of a multicomponent mixture of structureless particles. The relations obtained are analyzed and compared with the existing results; their accuracy is estimated. A closed system of equations of gas dynamics is presented for a number of cases of practical importance
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)
Shear viscosity coefficient from microscopic models
International Nuclear Information System (INIS)
Muronga, Azwinndini
2004-01-01
The transport coefficient of shear viscosity is studied for a hadron matter through microscopic transport model, the ultrarelativistic quantum molecular dynamics (UrQMD), using the Green-Kubo formulas. Molecular-dynamical simulations are performed for a system of light mesons in a box with periodic boundary conditions. Starting from an initial state composed of π,η,ω,ρ,φ with a uniform phase-space distribution, the evolution takes place through elastic collisions, production, and annihilation. The system approaches a stationary state of mesons and their resonances, which is characterized by common temperature. After equilibration, thermodynamic quantities such as the energy density, particle density, and pressure are calculated. From such an equilibrated state the shear viscosity coefficient is calculated from the fluctuations of stress tensor around equilibrium using Green-Kubo relations. We do our simulations here at zero net baryon density so that the equilibration times depend on the energy density. We do not include hadron strings as degrees of freedom so as to maintain detailed balance. Hence we do not get the saturation of temperature but this leads to longer equilibration times
The coefficients of the damping in the radioactive fall-out
International Nuclear Information System (INIS)
Stofanova, M.; Usacev, S.
1977-01-01
Radioactive fallout is characterized by time and seasonal variations. So far the independent growth of the 3 H, 90 Sr and 14 C fallout maxima was studied separately. The maxima and minima of the total fallout were compared with that of the above mentioned isotopes. Introducing the damping coefficient for monthly fallout, the seasonal and annual damping coefficients made is possible to determine time difference of the maxima of fallout for the individual components, namely: 3 H, 90 Sr and 14 C. Calculation of these coefficients yielded graphs markedly differentiating the maxima of the gross β activities for the years 1959 to 1973 and the said components of fallout. (author)
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
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
Determination of Orbiter and Carrier Aerodynamic Coefficients from Load Cell Measurements
Glenn, G. M.
1976-01-01
A method of determining orbiter and carrier total aerodynamic coefficients from load cell measurements is required to support the inert and the captive active flights of the ALT program. A set of equations expressing the orbiter and carrier total aerodynamic coefficients in terms of the load cell measurements, the sensed dynamics of the Boeing 747 (carrier) aircraft, and the relative geometry of the orbiter/carrier is derived.
Burger, C; Goerres, G; Schoenes, S; Buck, A; Lonn, A H R; Von Schulthess, G K
2002-07-01
The CT data acquired in combined PET/CT studies provide a fast and essentially noiseless source for the correction of photon attenuation in PET emission data. To this end, the CT values relating to attenuation of photons in the range of 40-140 keV must be transformed into linear attenuation coefficients at the PET energy of 511 keV. As attenuation depends on photon energy and the absorbing material, an accurate theoretical relation cannot be devised. The transformation implemented in the Discovery LS PET/CT scanner (GE Medical Systems, Milwaukee, Wis.) uses a bilinear function based on the attenuation of water and cortical bone at the CT and PET energies. The purpose of this study was to compare this transformation with experimental CT values and corresponding PET attenuation coefficients. In 14 patients, quantitative PET attenuation maps were calculated from germanium-68 transmission scans, and resolution-matched CT images were generated. A total of 114 volumes of interest were defined and the average PET attenuation coefficients and CT values measured. From the CT values the predicted PET attenuation coefficients were calculated using the bilinear transformation. When the transformation was based on the narrow-beam attenuation coefficient of water at 511 keV (0.096 cm(-1)), the predicted attenuation coefficients were higher in soft tissue than the measured values. This bias was reduced by replacing 0.096 cm(-1) in the transformation by the linear attenuation coefficient of 0.093 cm(-1) obtained from germanium-68 transmission scans. An analysis of the corrected emission activities shows that the resulting transformation is essentially equivalent to the transmission-based attenuation correction for human tissue. For non-human material, however, it may assign inaccurate attenuation coefficients which will also affect the correction in neighbouring tissue.
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......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...
Coefficient alpha and interculture test selection.
Thurber, Steven; Kishi, Yasuhiro
2014-04-01
The internal consistency reliability of a measure can be a focal point in an evaluation of the potential adequacy of an instrument for adaptation to another cultural setting. Cronbach's alpha (α) coefficient is often used as the statistical index for such a determination. However, alpha presumes a tau-equivalent test and may constitute an inaccurate population estimate for multidimensional tests. These notions are expanded and examined with a Japanese version of a questionnaire on nursing attitudes toward suicidal patients, originally constructed in Sweden using the English language. The English measure was reported to have acceptable internal consistency (α) albeit the dimensionality of the questionnaire was not addressed. The Japanese scale was found to lack tau-equivalence. An alternative to alpha, "composite reliability," was computed and found to be below acceptable standards in magnitude and precision. Implications for research application of the Japanese instrument are discussed. © The Author(s) 2012.
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
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.
Transport coefficients in superfluid neutron stars
Energy Technology Data Exchange (ETDEWEB)
Tolos, Laura [Instituto de Ciencias del Espacio (IEEC/CSIC) Campus Universitat Autònoma de Barcelona, Facultat de Ciències, Torre C5, E-08193 Bellaterra (Barcelona) (Spain); Frankfurt Institute for Advances Studies. Johann Wolfgang Goethe University, Ruth-Moufang-Str. 1, 60438 Frankfurt am Main (Germany); Manuel, Cristina [Instituto de Ciencias del Espacio (IEEC/CSIC) Campus Universitat Autònoma de Barcelona, Facultat de Ciències, Torre C5, E-08193 Bellaterra (Barcelona) (Spain); Sarkar, Sreemoyee [Tata Institute of Fundamental Research, Homi Bhaba Road, Mumbai-400005 (India); Tarrus, Jaume [Physik Department, Technische Universität München, D-85748 Garching (Germany)
2016-01-22
We study the shear and bulk viscosity coefficients as well as the thermal conductivity as arising from the collisions among phonons in superfluid neutron stars. We use effective field theory techniques to extract the allowed phonon collisional processes, written as a function of the equation of state and the gap of the system. The shear viscosity due to phonon scattering is compared to calculations of that coming from electron collisions. We also comment on the possible consequences for r-mode damping in superfluid neutron stars. Moreover, we find that phonon collisions give the leading contribution to the bulk viscosities in the core of the neutron stars. We finally obtain a temperature-independent thermal conductivity from phonon collisions and compare it with the electron-muon thermal conductivity in superfluid neutron stars.
Clustering stocks using partial correlation coefficients
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.
Ghost imaging based on Pearson correlation coefficients
International Nuclear Information System (INIS)
Yu Wen-Kai; Yao Xu-Ri; Liu Xue-Feng; Li Long-Zhen; Zhai Guang-Jie
2015-01-01
Correspondence imaging is a new modality of ghost imaging, which can retrieve a positive/negative image by simple conditional averaging of the reference frames that correspond to relatively large/small values of the total intensity measured at the bucket detector. Here we propose and experimentally demonstrate a more rigorous and general approach in which a ghost image is retrieved by calculating a Pearson correlation coefficient between the bucket detector intensity and the brightness at a given pixel of the reference frames, and at the next pixel, and so on. Furthermore, we theoretically provide a statistical interpretation of these two imaging phenomena, and explain how the error depends on the sample size and what kind of distribution the error obeys. According to our analysis, the image signal-to-noise ratio can be greatly improved and the sampling number reduced by means of our new method. (paper)
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
Coefficient of performance of Stirling refrigerators
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.
Axially symmetric reconstruction of plasma emission and absorption coefficients
International Nuclear Information System (INIS)
Yang Lixin; Jia Hui; Yang Jiankun; Li Xiujian; Chen Shaorong; Liu Xishun
2013-01-01
A layered structure imaging model is developed in order to reconstruct emission coefficients and absorption coefficients simultaneously, in laser fusion core plasma diagnostics. A novel axially symmetric reconstruction method that utilizes the LM (Levenberg-Marquardt) nonlinear least squares minimization algorithm is proposed based on the layered structure. Numerical simulation results demonstrate that the proposed method is sufficiently accurate to reconstruct emission coefficients and absorption coefficients, and when the standard deviation of noise is 0.01, the errors of emission coefficients and absorption coefficients are 0.17, 0.22, respectively. Furthermore, this method could perform much better on reconstruction effect compared with traditional inverse Abel transform algorithms. (authors)
Analysis of Satellite Drag Coefficient Based on Wavelet Transform
Liu, Wei; Wang, Ronglan; Liu, Siqing
Abstract: Drag coefficient sequence was obtained by solving Tiangong1 continuous 55days GPS orbit data with different arc length. The same period solar flux f10.7 and geomagnetic index Ap ap series were high and low frequency multi-wavelet decomposition. Statistical analysis results of the layers sliding correlation between space environmental parameters and decomposition of Cd, showed that the satellite drag coefficient sequence after wavelet decomposition and the corresponding level of f10.7 Ap sequence with good lag correlation. It also verified that the Cd prediction is feasible. Prediction residuals of Cd with different regression models and different sample length were analysed. The results showed that the case was best when setting sample length 20 days and f10.7 regression model were used. It also showed that NRLMSIS-00 model's response in the region of 350km (Tiangong's altitude) and low-middle latitude (Tiangong's inclination) is excessive in ascent stage of geomagnetic activity Ap and is inadequate during fall off segment. Additionally, the low-frequency decomposition components NRLMSIS-00 model's response is appropriate in f10.7 rising segment. High frequency decomposition section, Showed NRLMSIS-00 model's response is small-scale inadequate during f10.7 ascent segment and is reverse in decline of f10.7. Finally, the potential use of a summary and outlook were listed; This method has an important reference value to improve the spacecraft orbit prediction accuracy. Key words: wavelet transform; drag coefficient; lag correlation; Tiangong1;space environment
Energy Technology Data Exchange (ETDEWEB)
Rard, Joseph A. [Lawrence Livermore National Laboratory (LLNL); Clegg, Simon L. [University of East Anglia, Norwich, United Kingdom; Palmer, Donald [ORNL
2007-01-01
Isopiestic vapor-pressure measurements were made for Li{sub 2}SO{sub 4}(aq) from 0.1069 to 2.8190 mol{center_dot}kg{sup -1} at 298.15 K, and from 0.1148 to 2.7969 mol{center_dot}kg{sup -1} at 323.15 K, with NaCl(aq) as the reference standard. Published thermodynamic data for this system were reviewed, recalculated for consistency, and critically assessed. The present results and the more reliable published results were used to evaluate the parameters of an extended version of Pitzer's ion-interaction model with an ionic-strength dependent third-virial coefficient, as well as those of the standard Pitzer model, for the osmotic and activity coefficients at both temperatures. Published enthalpies of dilution at 298.15 K were also analyzed to yield the parameters of the ion-interaction models for the relative apparent molar enthalpies of dilution. The resulting models at 298.15 K are valid to the saturated solution molality of the thermodynamically stable phase Li{sub 2}SO{sub 4}{center_dot}H{sub 2}O(cr). Solubilities of Li{sub 2}SO{sub 4}{center_dot}H{sub 2}O(cr) at 298.15 K were assessed and the selected value of m(sat.)=3.13{+-}0.04 mol{center_dot}kg{sup -1} was used to evaluate the thermodynamic solubility product K {sub s}(Li{sub 2}SO{sub 4}{center_dot}H{sub 2}O, cr, 298.15 K) = (2.62{+-}0.19) and a CODATA-compatible standard molar Gibbs energy of formation {Delta}{sub f} G m{sup 0}(Li{sub 2}SO{sub 4}{center_dot}H{sub 2}O, cr, 298.15 K) = -(1564.6{+-}0.5) kJ{center_dot}mol{sup -1}.
International Nuclear Information System (INIS)
Dorman, L.I.; Yanke, V.G.
1979-01-01
Integral multiples of cosmic rays in Earth and other planets atmospheres have been determined. Kinetic equations describing the evolution of hadronic cascade in atmosphere using modern accelerating data have been solved with that end in view. Bond coefficients for nucleonic, muonic and electronic components of secondary cosmic radiation have been built using integral multiples. Normalized bond coefficients for three components obtained for maximum solar activity are presented. Integral muon and nucleon generation and bond coefficients have also been given for Mars
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.
Asua, J.M.; Beuermann, S.; Buback, M.; Castignolles, P.; Charleux, B.; Gilbert, R.G.; Hutchinson, R.A.; Leiza, J.R.; Nikitin, A.N.; Vairon, J.P.; Herk, van A.M.
2004-01-01
Propagation rate coefficients, kp, for free-radical polymerization of butyl acrylate (BA) previously reported by several groups are critically evaluated. All data were determined by the combination of pulsed-laser polymerization (PLP) and subsequent polymer analysis by size exclusion (SEC)
Lee, Kil Yong; Burnett, William C
A simple method for the direct determination of the air-loop volume in a RAD7 system as well as the radon partition coefficient was developed allowing for an accurate measurement of the radon activity in any type of water. The air-loop volume may be measured directly using an external radon source and an empty bottle with a precisely measured volume. The partition coefficient and activity of radon in the water sample may then be determined via the RAD7 using the determined air-loop volume. Activity ratios instead of absolute activities were used to measure the air-loop volume and the radon partition coefficient. In order to verify this approach, we measured the radon partition coefficient in deionized water in the temperature range of 10-30 °C and compared the values to those calculated from the well-known Weigel equation. The results were within 5 % variance throughout the temperature range. We also applied the approach for measurement of the radon partition coefficient in synthetic saline water (0-75 ppt salinity) as well as tap water. The radon activity of the tap water sample was determined by this method as well as the standard RAD-H 2 O and BigBottle RAD-H 2 O. The results have shown good agreement between this method and the standard methods.
Determination of air-loop volume and radon partition coefficient for measuring radon in water sample
International Nuclear Information System (INIS)
Kil Yong Lee; Burnett, W.C.
2013-01-01
A simple method for the direct determination of the air-loop volume in a RAD7 system as well as the radon partition coefficient was developed allowing for an accurate measurement of the radon activity in any type of water. The air-loop volume may be measured directly using an external radon source and an empty bottle with a precisely measured volume. The partition coefficient and activity of radon in the water sample may then be determined via the RAD7 using the determined air-loop volume. Activity ratios instead of absolute activities were used to measure the air-loop volume and the radon partition coefficient. In order to verify this approach, we measured the radon partition coefficient in deionized water in the temperature range of 10-30 deg C and compared the values to those calculated from the well-known Weigel equation. The results were within 5 % variance throughout the temperature range. We also applied the approach for measurement of the radon partition coefficient in synthetic saline water (0-75 ppt salinity) as well as tap water. The radon activity of the tap water sample was determined by this method as well as the standard RAD-H 2 O and BigBottle RAD-H 2 O. The results have shown good agreement between this method and the standard methods. (author)
Bromaghin, Jeffrey F.; Budge, Suzanne M.; Thiemann, Gregory W.; Rode, Karyn D.
2017-01-01
Knowledge of animal diets provides essential insights into their life history and ecology, although diet estimation is challenging and remains an active area of research. Quantitative fatty acid signature analysis (QFASA) has become a popular method of estimating diet composition, especially for marine species. A primary assumption of QFASA is that constants called calibration coefficients, which account for the differential metabolism of individual fatty acids, are known. In practice, however, calibration coefficients are not known, but rather have been estimated in feeding trials with captive animals of a limited number of model species. The impossibility of verifying the accuracy of feeding trial derived calibration coefficients to estimate the diets of wild animals is a foundational problem with QFASA that has generated considerable criticism. We present a new model that allows simultaneous estimation of diet composition and calibration coefficients based only on fatty acid signature samples from wild predators and potential prey. Our model performed almost flawlessly in four tests with constructed examples, estimating both diet proportions and calibration coefficients with essentially no error. We also applied the model to data from Chukchi Sea polar bears, obtaining diet estimates that were more diverse than estimates conditioned on feeding trial calibration coefficients. Our model avoids bias in diet estimates caused by conditioning on inaccurate calibration coefficients, invalidates the primary criticism of QFASA, eliminates the need to conduct feeding trials solely for diet estimation, and consequently expands the utility of fatty acid data to investigate aspects of ecology linked to animal diets.
Zhao, You-Qun; Li, Hai-Qing; Lin, Fen; Wang, Jian; Ji, Xue-Wu
2017-07-01
The accurate estimation of road friction coefficient in the active safety control system has become increasingly prominent. Most previous studies on road friction estimation have only used vehicle longitudinal or lateral dynamics and often ignored the load transfer, which tends to cause inaccurate of the actual road friction coefficient. A novel method considering load transfer of front and rear axles is proposed to estimate road friction coefficient based on braking dynamic model of two-wheeled vehicle. Sliding mode control technique is used to build the ideal braking torque controller, which control target is to control the actual wheel slip ratio of front and rear wheels tracking the ideal wheel slip ratio. In order to eliminate the chattering problem of the sliding mode controller, integral switching surface is used to design the sliding mode surface. A second order linear extended state observer is designed to observe road friction coefficient based on wheel speed and braking torque of front and rear wheels. The proposed road friction coefficient estimation schemes are evaluated by simulation in ADAMS/Car. The results show that the estimated values can well agree with the actual values in different road conditions. The observer can estimate road friction coefficient exactly in real-time and resist external disturbance. The proposed research provides a novel method to estimate road friction coefficient with strong robustness and more accurate.
Partially linear varying coefficient models stratified by a functional covariate
Maity, Arnab; Huang, Jianhua Z.
2012-01-01
We consider the problem of estimation in semiparametric varying coefficient models where the covariate modifying the varying coefficients is functional and is modeled nonparametrically. We develop a kernel-based estimator of the nonparametric
Variable-coefficient nonisospectral Toda lattice hierarchy and its ...
Indian Academy of Sciences (India)
In this paper, a hierarchy of nonisospectral equations with variable coefficients is derived from the ..... from the definitions of Lax integrability and Lax pairs [26] that the variable-coefficient ..... studying which will be the topic for our future study.
Solving Variable Coefficient Fourth-Order Parabolic Equation by ...
African Journals Online (AJOL)
Solving Variable Coefficient Fourth-Order Parabolic Equation by Modified initial guess Variational ... variable coefficient fourth order parabolic partial differential equations. The new method shows rapid convergence to the exact solution.
The Attenuation of Correlation Coefficients: A Statistical Literacy Issue
Trafimow, David
2016-01-01
Much of the science reported in the media depends on correlation coefficients. But the size of correlation coefficients depends, in part, on the reliability with which the correlated variables are measured. Understanding this is a statistical literacy issue.
Multiphoton absorption coefficients in solids: an universal curve
International Nuclear Information System (INIS)
Brandi, H.S.; Araujo, C.B. de
1983-04-01
An universal curve for the frequency dependence of the multiphoton absorption coefficient is proposed based on a 'non-perturbative' approach. Specific applications have been made to obtain two, three, four and five photons absorption coefficient in different materials. Properly scaling of the two photon absorption coefficient and the use of the universal curve yields results for the higher order absorption coefficients in good agreement with the experimental data. (Author) [pt
On the Occurrence of Standardized Regression Coefficients Greater than One.
Deegan, John, Jr.
1978-01-01
It is demonstrated here that standardized regression coefficients greater than one can legitimately occur. Furthermore, the relationship between the occurrence of such coefficients and the extent of multicollinearity present among the set of predictor variables in an equation is examined. Comments on the interpretation of these coefficients are…
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
An Investigation of the Sampling Distribution of the Congruence Coefficient.
Broadbooks, Wendy J.; Elmore, Patricia B.
This study developed and investigated an empirical sampling distribution of the congruence coefficient. The effects of sample size, number of variables, and population value of the congruence coefficient on the sampling distribution of the congruence coefficient were examined. Sample data were generated on the basis of the common factor model and…
Asymmetrical slip propensity: required coefficient of friction.
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.
Coefficient of Friction of Human Corneal Tissue.
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.
Local diffusion coefficient determination: Mediterranean Sea experiments
International Nuclear Information System (INIS)
Bacciola, D.; Borghini, M.; Cannarsa, S.
1993-10-01
The Mediterranean is a semi/enclosed basin characterized by the presence of channels and straits influencing the circulation, temperature and salinity fields. The tides generally have amplitudes of the order of 10 cm and velocities of few cm/s. Conversely, the wind forced circulation is very strong and can assume velocity values of 1 m/s at the sea surface. The temperature and salinity fields have a high temporal and spatial variability, because of many mixing processes existing in the sea. For example, the waters coming from the Provencal basin meet those waters coming from the Tyrrhenian Sea in the eastern Ligurian Sea, creating meanders and eddies. Local runoff influences significantly the coastal circulation. This paper describes diffusion experiments carried out in this complex environment. The experimental apparatus for the detection of the fluorescine released at sea was composed by two Turner mod. 450 fluorometres. During the experiments, temperature and salinity vertical profiles were measured by using a CTD; meteorological data were acquired on a dinghy. The positioning was obtained by means of a Motorola system, having a precision of about 1 meter. The experiments were carried out under different stratification and wind conditions. From data analysis it was found that the horizontal diffusion coefficient does not depend on time or boundary conditions. The role of stratification is important with regard to vertical displacement of the dye. However, its role with regard to vertical diffusion cannot be assessed with the actual experimental apparatus
Assessment of satellite derived diffuse attenuation coefficients ...
Optical data collected in coastal waters off South Florida and in the Caribbean Sea between January 2009 and December 2010 were used to evaluate products derived with three bio-optical inversion algorithms applied to MOIDS/Aqua, MODIS/Terra, and SeaWiFS satellite observations. The products included the diffuse attenuation coefficient at 490 nm (Kd_490) and for the visible range (Kd_PAR), and euphotic depth (Zeu, corresponding to 1% of the surface incident photosynthetically available radiation or PAR). Above-water hyperspectral reflectance data collected over optically shallow waters of the Florida Keys between June 1997 and August 2011 were used to help understand algorithm performance over optically shallow waters. The in situ data covered a variety of water types in South Florida and the Caribbean Sea, ranging from deep clear waters, turbid coastal waters, and optically shallow waters (Kd_490 range of ~0.03 – 1.29m-1). An algorithm based on Inherent Optical Properties (IOPs) showed the best performance (RMSD turbidity or shallow bottom contamination. Similar results were obtained when only in situ data were used to evaluate algorithm performance. The excellent agreement between satellite-derived remote sensing reflectance (Rrs) and in situ Rrs suggested that
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.)
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)
Recommendations for joint fatigue coefficients for welded P91 junctions at 550 °C
Energy Technology Data Exchange (ETDEWEB)
Matheron, P., E-mail: philippe.matheron@cea.fr; Aiello, G.; Ancelet, O.; Forest, L.
2016-04-15
Modified 9Cr1Mo steels are potential candidates as structural materials of GEN-IV nuclear reactors. Since the design of structural components is influenced by the presence of the welds, their mechanical properties are also included in the design codes. In the European code RCC-MRx, a weld is considered as a homogeneous (base metal) component with a margin coefficient, called weld coefficient. Currently no values of joint fatigue coefficients for P91 junctions are given in RCC-MRx. After a recall of the weld design rules contained in the code, this work presents the experimental activities carried out to characterize the fatigue behaviour of TIG welded P91 junctions at high temperatures. Finite elements calculations were performed on the basis of the characterization of the base and weld metal. The results of the tests validate the numerical results. Values of the weld joint fatigue coefficients for P91 are proposed for possible inclusion in RCC-MRx.
Automatic estimation of pressure-dependent rate coefficients.
Allen, Joshua W; Goldsmith, C Franklin; Green, William H
2012-01-21
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.
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.
Diffusion coefficient of hydrogen in niobium and tantalum
International Nuclear Information System (INIS)
Vargas, P.; Miranda, L.; Lagos, M.
1988-08-01
We show that the current data on hydrogen diffusion in Tantalum between 15K and 550K and in Niobium between 135K and 400K can be quantitatively explained by the small polaron theory. The experimental data can be understood assuming ground-state to ground-state tunneling between interstitial sites with tetrahedral symmetry plus an activated contribution due to tunneling between excited states having octahedral symmetry. The break of the diffusivity curve at T approx. = 250K follows naturally. It evidences the transition between the tetrahedral and octahedral hopping. For Ta the second break of the diffusivity curve at T approx. = 20K indicated the recovering of the ground-state hopping with tetrahedral symmetry. Below T approx. = 10K for Ta and T approx. = 7K for Nb the diffusion coefficient becomes independent of T. (author). 17 refs, 3 figs, 1 tab
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.
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
International Nuclear Information System (INIS)
Podest, M.; Klima, J.; Stecher, P.; Stecherova, E.
1978-01-01
UO 2 pellets from ALUOX fuel elements were used in measuring the absorption coefficient of gamma radiation in UO 2 . The results of measurements of the energy dependence of the linear absorption coefficient (within 622 to 796 keV) and of the dependence on pellet density showed that in the given density interval the absorption coefficient was almost constant. The density interval was chosen to be typical for pellet fuel used in water cooled and water moderated power reactors. The results are also shown of the dependence of the mass absorption coefficient of gamma radiation in Zr on radiation energy and compared with the mass absorption coefficient of Mo; these also showed the independence of the absorption coefficient on density. The linear and mass absorption coefficients of UO 2 are considerably high and correspond approximately to the absorption coefficient of lead. For the measured energy range the variation of absorption coefficient is about 40%, which causes errors in burnup determination. The efficiency was also determined of Ge(Li) detectors for the energy range 0.5 to 1.2 MeV. The determination of the above coefficients was used for improving the gamma fuel scanning technique in determining the activity and burnup of spent fuel elements. (J.P.)
Transport coefficients of strongly interacting matter
International Nuclear Information System (INIS)
Heckmann, Klaus
2011-01-01
In this thesis, we investigate the dissipative transport phenomena of strongly interacting matter. The special interest is in the shear viscosity and its value divided by entropy density. The performed calculations are based on effective models for Quantum Chromodynamics, mostly focused on the 2-flavor Nambu-Jona-Lasinio model. This allows us to study the hadronic sector as well as the quark sector within one single model. We expand the models up to next-to-leading order in inverse numbers of colors. We present different possibilities of calculating linear transport coefficients and give an overview over qualitative properties as well as over recent ideas concerning ideal fluids. As present methods are not able to calculate the quark two-point function in Minkowski space-time in the self-consistent approximation scheme of the Nambu-Jona-Lasinio model, a new method for this purpose is developed. This self-energy parametrization method is applied to the expansion scheme, yielding the quark spectral function with meson back-coupling effects. The usage of this spectral function in the transport calculation is only one result of this work. We also test the application of different transport approaches in the NJL model, and find an interesting behavior of the shear viscosity at the critical end point of the phase diagram. We also use the NJL model to calculate the viscosity of a pion gas in the dilute regime. After an analysis of other models for pions and their interaction, we find that the NJL-result leads to an important modification of transport properties in comparison with the calculations which purely rely on pion properties in the vacuum. (orig.)
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.
Determination of beta attenuation coefficients by means of timing method
International Nuclear Information System (INIS)
Ermis, E.E.; Celiktas, C.
2012-01-01
Highlights: ► Beta attenuation coefficients of absorber materials were found in this study. ► For this process, a new method (timing method) was suggested. ► The obtained beta attenuation coefficients were compatible with the results from the traditional one. ► The timing method can be used to determine beta attenuation coefficient. - Abstract: Using a counting system with plastic scintillation detector, beta linear and mass attenuation coefficients were determined for bakelite, Al, Fe and plexiglass absorbers by means of timing method. To show the accuracy and reliability of the obtained results through this method, the coefficients were also found via conventional energy method. Obtained beta attenuation coefficients from both methods were compared with each other and the literature values. Beta attenuation coefficients obtained through timing method were found to be compatible with the values obtained from conventional energy method and the literature.
Static pressure and temperature coefficients of working standard microphones
DEFF Research Database (Denmark)
Barrera Figueroa, Salvador; Cutanda Henriquez, Vicente; Torras Rosell, Antoni
2016-01-01
be a significant contribution to the uncertainty of the measurement. Determining the environmental coefficients of individual specimens of measurement microphones can be a straightforward though time-consuming procedure provided the appropriate facilities are available. An alternative is to determine them using...... coefficients. For this purpose, the environmental coefficients of some commercially available microphones have been determined experimentally, and whenever possible, compared with the coefficients determined numerically using the Boundary Element Method....... for these coefficients which are used for calibration purposes. Working standard microphones are not exempt of these influences. However, manufacturers usually provide a low frequency value of the environmental coefficient. While in some applications the influence of this coefficient may be negligible, in others it may...
Radionuclides distribution coefficient of soil to soil-solution
International Nuclear Information System (INIS)
1990-06-01
The present book addresses various issues related with the coefficient of radionuclides distribution between soil and soil solution. It consists of six sections and two appendices. The second section, following an introductory one, describes the definition of the coefficient and a procedures of its calculation. The third section deals with the application of the distribution coefficient to the prediction of movements of radionuclides through soil. Various methods for measuring the coefficient are described in the fourth section. The next section discusses a variety of factors (physical and chemical) that can affect the distribution coefficient. Measurements of the coefficient for different types of oils are listed in the sixth section. An appendix is attached to the book to show various models that can be helpful in applying the coefficient of distribution of radionuclides moving from soil into agricultural plants. (N.K.)
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
Review on cation exchange selectivity coefficients for MX-80 bentonite
International Nuclear Information System (INIS)
Domenech, C.; Arcos, D.; Duro, L.; Sellin, P.
2005-01-01
Full text of publication follows: Bentonite is considered as engineered barrier in the near field of a nuclear waste repository due to its low permeability, what impedes groundwater flow to the nuclear waste, and its high retention capacity (sorption) of radionuclides in the eventuality of groundwater intrusion. One of the main retention processes occurring at the bentonite surface is ion exchange. This process may exert a strong control on the mobility of major pore water cations. Changes in major cation concentration, especially calcium, can affect the dissolution-precipitation of calcite, which in turn controls one of the key parameters in the system: pH. The cation exchange process is usually described according to the Gaines-Thomas convention: Ca 2+ + 2 NaX = CaX 2 + 2 Na + , K Ca = (N Ca x a 2 Na + )/(N 2 Na x a Ca 2+ ) where K Ca is the selectivity coefficient for the Ca by Na exchange, ai is the activity of cation 'i' in solution and NJ the equivalent fractional occupancy of cation 'J' in bentonite. Parameters such as solid to liquid (S:L) ratio and dry density of the solid have an important influence on the value of selectivity coefficients (K ex ). Although in most geochemical modelling works, K ex values are directly taken from experiments conducted at low S:L ratios and low dry densities, the expected conditions in a deep geological nuclear waste repository are higher S:L and higher bentonite density (1.6 g.cm -3 in the SKB design to obtain a fully water saturated density of around 2.0 g.cm -3 ). Experiments focused at obtaining selectivity coefficients under the conditions of interest face the difficulty of achieving a proper extraction and analyses of pore water without disturbing the system by the sampling method itself. In this work we have conducted a complete analyses of published data on MX-80 bentonite cationic exchange in order to assess the effect of the S:L ratio and dry density on the value of the selectivity coefficients determined so far
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.
Calculation of transport coefficients in an axisymmetric plasma
International Nuclear Information System (INIS)
Shumaker, D.E.
1976-01-01
A method of calculating the transport coefficient in an axisymmetric toroidal plasma is presented. This method is useful in calculating the transport coefficients in a Tokamak plasma confinement device. The particle density and temperature are shown to be a constant on a magnetic flux surface. Transport equations are given for the total particle flux and total energy flux crossing a closed toroidal surface. Also transport equations are given for the toroidal magnetic flux. A computer code was written to calculate the transport coefficients for a three species plasma, electrons and two species of ions. This is useful for calculating the transport coefficients of a plasma which contains impurities. It was found that the particle and energy transport coefficients are increased by a large amount, and the transport coefficients for the toroidal magnetic field are reduced by a small amount. For example, a deuterium plasma with 1.3 percent oxygen, one of the particle transport coefficients is increased by a factor of about four. The transport coefficients for the toroidal magnetic flux are reduced by about 20 percent. The increase in the particle transport coefficient is due to the collisional scattering of the deuterons by the heavy oxygen ions which is larger than the deuteron electron scattering, the normal process for particle transport in a two species plasma. The reduction in the toroidal magnetic flux transport coefficients are left unexplained
Local organ dose conversion coefficients for angiographic examinations of coronary arteries
International Nuclear Information System (INIS)
Schlattl, H; Zankl, M; Hausleiter, J; Hoeschen, C
2007-01-01
New organ dose conversion coefficients for coronary angiographic interventions are presented, as well as dose distributions and resulting maximal local dose conversion coefficients in the relevant organs. For the Monte Carlo based simulations, voxel models of the human anatomy were employed which represent the average Caucasian adult man and woman as defined by the International Commission on Radiological Protection. In the 21 investigated projections, the mean organ dose conversion coefficients vary from a few 0.01 to 2 mGy(Gy cm 2 ) -1 , depending on the projections. However, especially in portions of the lungs and the active bone marrow, the conversion coefficients can locally amount up to 10 mGy(Gy cm 2 ) -1 , which is half the average conversion coefficient of the skin at the field entrance. In addition to the dose conversion coefficients, the dependence of the patient dose on the projection has been estimated. It could be shown that the patient doses are highest for left anterior oblique views with strong caudal or cranial orientation. Nevertheless, for a large range of image-intensifier positions no significant dose differences could be found
Modified Regression Correlation Coefficient for Poisson Regression Model
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).
Calculation of transport coefficients in an axisymmetric plasma
International Nuclear Information System (INIS)
Shumaker, D.E.
1977-01-01
A method of calculating the transport coefficient in an axisymmetric toroidal plasma is presented. This method is useful in calculating the transport coefficients in a Tokamak plasma confinement device. The particle density and temperature are shown to be a constant on a magnetic flux surface. Transport equations are given for the total particle flux and total energy flux crossing a closed toroidal surface. Also transport equations are given for the toroidal magnetic flux. A computer code was written to calculate the transport coefficients for a three species plasma, electrons and two species of ions. This is useful for calculating the transport coefficients of a plasma which contains impurities. It was found that the particle and energy transport coefficients are increased by a large amount, and the transport coefficients for the toroidal magnetic field are reduced by a small amount
Object detection by correlation coefficients using azimuthally averaged reference projections.
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.
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
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
Analytical scheme calculations of angular momentum coupling and recoupling coefficients
Deveikis, A.; Kuznecovas, A.
2007-03-01
We investigate the Scheme programming language opportunities to analytically calculate the Clebsch-Gordan coefficients, Wigner 6j and 9j symbols, and general recoupling coefficients that are used in the quantum theory of angular momentum. The considered coefficients are calculated by a direct evaluation of the sum formulas. The calculation results for large values of quantum angular momenta were compared with analogous calculations with FORTRAN and Java programming languages.
Analytical scheme calculations of angular momentum coupling and recoupling coefficients
International Nuclear Information System (INIS)
Deveikis, A.; Kuznecovas, A.
2007-01-01
We investigate the Scheme programming language opportunities to analytically calculate the Clebsch-Gordan coefficients, Wigner 6j and 9j symbols, and general recoupling coefficients that are used in the quantum theory of angular momentum. The considered coefficients are calculated by a direct evaluation of the sum formulas. The calculation results for large values of quantum angular momenta were compared with analogous calculations with FORTRAN and Java programming languages
Coefficient of restitution of model repaired car body parts
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...
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
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.
Coefficients of viscosity for heavy impurity element in tokamak
Energy Technology Data Exchange (ETDEWEB)
El-Sharif, R N; Bekhit, A M [Plasma Physics dept., NRC, Atomic energy Authority, Cairo, (Egypt)
1997-12-31
The transport of heavy impurity element in to tokamak was studied theoretically. The viscosity coefficients of chromium impurities has been calculated in 13 and 21 moment approximation, in the limit of strong fields where is the gyrofrequency of species it was found that the off diagonal coefficient approximately tends to zero. This means that the friction force in the off-diagonal direction is very small, for the perpendicular viscosity coefficient the two approximation coincide to each other. 3 figs.
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.
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
Kubo Formulas for Second-Order Hydrodynamic Coefficients
International Nuclear Information System (INIS)
Moore, Guy D.; Sohrabi, Kiyoumars A.
2011-01-01
At second order in gradients, conformal relativistic hydrodynamics depends on the viscosity η and on five additional ''second-order'' hydrodynamical coefficients τ Π , κ, λ 1 , λ 2 , and λ 3 . We derive Kubo relations for these coefficients, relating them to equilibrium, fully retarded three-point correlation functions of the stress tensor. We show that the coefficient λ 3 can be evaluated directly by Euclidean means and does not in general vanish.
Wavelet Correlation Coefficient of 'strongly correlated' financial time series
Razdan, Ashok
2003-01-01
In this paper we use wavelet concepts to show that correlation coefficient between two financial data's is not constant but varies with scale from high correlation value to strongly anti-correlation value This studies is important because correlation coefficient is used to quantify degree of independence between two variables. In econophysics correlation coefficient forms important input to evolve hierarchial tree and minimum spanning tree of financial data.
Taylor coefficients and coefficient multipliers of Hardy and Bergman-type spaces
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...
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
Estimating varying coefficients for partial differential equation models.
Zhang, Xinyu; Cao, Jiguo; Carroll, Raymond J
2017-09-01
Partial differential equations (PDEs) are used to model complex dynamical systems in multiple dimensions, and their parameters often have important scientific interpretations. In some applications, PDE parameters are not constant but can change depending on the values of covariates, a feature that we call varying coefficients. We propose a parameter cascading method to estimate varying coefficients in PDE models from noisy data. Our estimates of the varying coefficients are shown to be consistent and asymptotically normally distributed. The performance of our method is evaluated by a simulation study and by an empirical study estimating three varying coefficients in a PDE model arising from LIDAR data. © 2017, The International Biometric Society.