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We review a new theoretical approach to the kinetics of surfactant adsorption at fluid-fluid interfaces. It yields a more complete description of the kinetics both in the aqueous solution and at the interface, deriving all equations from a free-energy functional. It also provides a general method to calculate dynamic surface tensions. For non-ionic surfactants the results coincide with previous models. Common non-ionic surfactants are shown to undergo diffusion-limited adsorption, in agreement with experiments. Strong electrostatic interactions in salt-free ionic surfactant solutions are found to lead to kinetically limited adsorption. In this case the theory accounts for unusual experimental results which could not be understood using previous approaches. Added salt screens the electrostatic interactions and makes the ionic surfactant adsorption similar to the ...

Energy Technology Data Exchange (ETDEWEB)

Ionic conductive materials are of much interest as an electrolyte for solid-state lithium batteries. Poly(alkylene oxide) and lithium salt complex exhibits high ionic conductivity in terms of its high solubility for lithium salts. However, the temperature dependency of its ionic conductivity is quite large and non-linear, the ionic conductivity drops down at low temperature, especially below glass transition temperature of the polymer. Because its ionic conductive mechanism is derived from its segmental motion of polymer main chain. A novel ionic conductive material, poly[2,6-dimethoxy-N-(4-vinylphenyl)benzamide] is synthesized and confirm ionic conductivity even below glass transition temperature. Ionic conductivity of the polymer with lithium ditrifluoromethylsulfonate imide complex shows 10{sup -5}Scm{sup -1} from 0 ...

International Nuclear Information System (INIS)

Isobaric specific heat capacities were measured for {1-hexyl-3-methylimidazolium tetrafluoroborate (HMIMBF4) + acetonitrile (MeCN)} and {1-methyl-3-octylimidazolium tetrafluoroborate (OMIMBF4) + acetonitrile} within the whole range of composition and temperatures from (283.15 to 323.15) K. The excess molar heat capacities were calculated from the experimental results and satisfactorily fitted to Redlich-Kister type polynomials for several selected temperatures. Negative deviations from the additivity of molar heat capacities were observed within the whole composition range of (HMIBMF4 + MeCN) and (OMIMBF4 + MeCN). The results obtained have been interpreted in terms of interactions between ionic liquids and acetonitrile.

International Nuclear Information System (INIS)

Magnetic properties of the Al1-xGaxFeO3 family of oxides crystallizing in a non-centrosymmetric space group have been investigated in detail along with structural aspects by employing X-ray and neutron diffraction, Moessbauer spectroscopy and other techniques. The study has revealed the occurrence of several interesting features related to unit cell parameters, site disorder and ionic size. Using first-principles density functional theory based calculations, we have attempted to understand how magnetic ordering and related properties in these oxides depend sensitively on disorder at the cation site. The origin and tendency of cations to disorder and the associated properties are traced to the local structure and ionic sizes. -- Graphical abstract: We have studied both experimentally and theoretically the important role of disorder at the cation site on magnetic and related properties of the Al1-xGaxFeO3 family of oxides ...

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After having recalled the formal convergence of the semi-classical multi-species Boltzmann equations toward the multi-species Euler system (i.e. mixture of gases having the same velocity), we generalize to this system the closure relations proposed by B. Despres and by F. Lagoutiere for the multi-components Euler system (i.e. mixture of non miscible fluids having the same velocity). Then, we extend the energy relaxation schemes proposed by F. Coquel and by B. Perthame for the numerical resolution of the mono-species Euler system to the multi-species isothermal Euler system and to the multi-components isobar-isothermal Euler system. This allows to obtain a class of entropic schemes under a CFL criteria. In the multi-components case, this class of entropic schemes is perhaps a way for the treatment of interface problems and, then, for the treatment of the numerical mixture area by using a Lagrange + projection scheme. ...

International Nuclear Information System (INIS)

The ion mobilities of |"2"1"1At|At(I) in dependence on thiourea (tu) concentration, iodide concentration and a mixture of both ligands were measured by the electromigration method in free electrolytes. An equilibrium model was developed for the characterization of electromigration curves which permitted the calculation of stability constants and ion mobilities of the complexes |AtI|, |AtI_2|"-, |Attu|"+, |Attu_2|"+ and |AtItu| existing in these solutions. Ethanol and water served as solvents. The temperature was 298 K and the ionic strength was about 0.05 mol/dm"3. (author) 16 refs.; 2 figs.

British Library Electronic Table of Contents (United Kingdom)

We performed hybrid-DFT calculations for La2/3?xLi3xTiO3 (LLT) with lithium ion conductivity, in order to investigate the detailed lithium ion conductive mechanism from the viewpoint of molecular orbital (MO) method. It was concluded that the very ionic lithium ion in bottleneck accelerates the lithium ion conduction. The calculated MO shows no chemical bonding between lithium ion and other ions. In comparison with the perovskite-type trivalent titanium oxide of LaTiO3, the effect of the titanium's reduction was also investigated. We showed the possibility of the high lithium conductivity in LaTiO3.

British Library Electronic Table of Contents (United Kingdom)

Miscanthus is a potential feedstock for the production of biofuels. Lignocellulosic biomass is not soluble in conventional solvents, but Miscanthus and other lignocellulosic biomass have reasonable solubilities in some ionic liquids. The solubility of Miscanthus in a variety of hydrophilic ionic liquids was measured as a function of particle size, temperature and time for dissolution. In addition to temperature and time, the ionic liquid anion has a significant effect on solubility and rate of dissolution. The moisture content of Miscanthus lowers its solubility in certain ionic liquids. Chloride, acetate, and phosphate-based ionic liquids favor solubility. A tentative correlation for the solubility of Miscanthus is proposed in terms of Abraham solvation parameters obtained from quantum-ch...

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International Nuclear Information System (INIS)

A new series of lithium ionic liquids were prepared by introducing of two electron-withdrawing trifluoroacetyl groups in borate salts containing two methoxy-oligo(ethylene oxide) groups in the structures. Successive substitution reactions of oligo-ethylene glycol monomethyl ether and trifluroacetic acid from LiBH_4 yielded the lithium salts, which were clear and colorless liquids at room temperature. The fundamental physicochemical properties, such as density, thermal property, viscosity, ionic conductivity, self-diffusion coefficients, and electrochemical stability, were measured. The lithium ionic liquids had self-dissociation ability and conducted ions even in the absence of organic solvents. New polymer electrolytes, named 'ion gels', were prepared by radical cross-linking reactions of a poly(ethylene oxide-co-propylene oxide)tri-acrylate macromonomer in the presence the lithium ionic liquid. An ...

International Nuclear Information System (INIS)

We report synthesis, characterization and ion transport in polyether-based ionic melt electrolytes consisting of Li salts of low-basicity anions covalently attached to polyether oligomers. Purity of the materials was investigated by HPLC analysis and electrospray ionization mass spectrometry. The highest ionic conductivity of 7.1 x 10-6 S/cm at 30 deg. C was obtained for the sample consisting of a lithium salt of an arylfluorosulfonimide anion attached to a polyether oligomer with an ethyleneoxide (EO) to lithium ratio of 12. The conductivity order of various ionic melts having different polyether chain lengths suggests that at higher EO:Li ratios the conductivity of the electrolytes at room temperature is determined in part by the amount of crystallization of the polyether portion of the ionic melt.

Energy Technology Data Exchange (ETDEWEB)

The improvement of the ecological conditions at waste storing reservoirs is an important task of the restoration activity at Production Association (PA) ``Mayak`` (South Urals). The radionuclides mostly {sup 90}Sr, {sup 137}Cs, and chemical pollutants deposited in the reservoir water and in the bottom sediment are very dangerous sources for the contamination of Techa River below the reservoirs and the contamination of groundwater in the surrounding formations. The spreading of radioactive contaminants has both hydrogeological and the chemical features. The thermodynamic approach used to account for physical-chemical interactions between water and the bed rocks based on Gibbs free energy minimization of multicomponent system (H-O-Ca-Mg-K-Na-S-Cl-C-Sr) permitted the authors to calculate the corresponding ionic and complex species existing in the solutions, and to characterize the processes of precipitation and dissolution. The model takes into ...

Energy Technology Data Exchange (ETDEWEB)

Ionic liquids can enhance the activity, selectivity, and stability of enzyme catalysts. Enzymes and ionic liquids as catalysts are seen as a more environmentally friendly technology than the use of traditional catalyst materials in biofuels production. This study investigated the lipase catalyzed esterification reaction for biodiesel production in the presence of the ionic liquid BMIM PF{sub 6}. Methyl acetate was used as the acyl acceptor. A titremetric assay was conducted to measure the activity of the lipase with various amounts of ionic liquid. Reaction parameters were investigated in order to determine their effects on biodiesel conversion. An 80 per cent overall methyl oleate biodiesel yield was successfully produced in the presence of the ionic liquid. The ionic liquid improved lipase activity as well as overall biodiesel yield. Results also showed that ...

International Nuclear Information System (INIS)

Full text: Hybrid functionals, containing a fraction of the exact exchange, allow for a rather accurate treatment of e.g. small molecules and band gaps in bulk materials. A plane-wave based algorithm was implemented in VASP (Vienna Ab-initio Simulation Package) to accomplish the calculation of the exact exchange. Two functionals including exact exchange are presently available, i.e. the PBE0 (Perdew-BurKEX-Ernzerhof) and the HSE (Heyd-Scuseria-Ernzerhof). A rigorous assessment of the implementation was performed by geometry optimization and calculation of the atomization energies of the G2-1 quantum chemical test set, containing 55 molecules. Excellent agreement compared to corresponding Gaussian 03 data and good agreement with experiment was achieved. The mean absolute error (theory related to experiment) for the atomization energies calculated with the PBE and the PBE0 is 8.6 and 3.7 kcal/mol, respectively. To investigate ...

International Nuclear Information System (INIS)

This paper describes stable strontium as composed of four stable isotopes ( Sr 88, Sr 87, Sr 86, and Sr 84), of which Sr 88 contributes more than 82% to its composition. Strontium exists in three crystalline, plymorphic forms; face-centered cubic alpha form, hexagonal beta form and body-centered cubic gamma form. Strontium occupies in many physicochemical aspects an intermediate position between calcium and barium, as does the solubility of strontium salts. As a result of its oxidation potential, strontium readily forms oxides, halides, and sulfide. The author proposes that the slight discrimination against strontium incorporation into bony tissues may be due to the difference in ionic potential (14%) between strontium and calcium. Ionic potential is an indicator of the strength of ionic bonds: strontium has a smaller ratio of ionic charge to ionic radius when compared with calcium.

Energy Technology Data Exchange (ETDEWEB)

There is a growing interest in using {sup 242m}Am as a nuclear fuel. The advantages of {sup 242m}Am as a nuclear fuel derive from the fact that {sup 242m}Am has the highest thermal fission cross section. The thermal capture cross section is relatively low and the number of neutrons per thermal fission is high. These nuclear properties make it possible to obtain nuclear criticality with ultra-thin fuel elements. The possibility of having ultra-thin fuel elements enables the use of these fission products directly, without the necessity of converting their energy to heat, as is done in conventional reactors. There are three options of using such highly energetic and highly ionized fission products. - Using the fission products themselves for ionic propulsion. - Using the fission products in an MHD generator, in order to obtain electricity directly. - Using the fission products to heat a gas up to a high temperature for propulsion purposes. In this work, we are not ...

Energy Technology Data Exchange (ETDEWEB)

Microwave dielectric properties and far-infrared reflectivity spectra of (Zr{sub 0.8}Sn{sub 0.2})TiO{sub 4} ceramics with 1.0mol.% Sb{sub 2}O{sub 5} or WO{sub 3} were investigated in the various sintering atmospheres. The Q{center_dot}f value of the specimens sintered in oxygen atmosphere was enhanced due to the decrease of lattice anharmonic interaction resulting from the decrease of oxygen vacancies, whereas the dielectric constants remained constant regardless of sintering atmosphere. The effects of the sintering atmosphere on the changes of ionic and electronic polarization and the intrinsic microwave losses of the specimens were investigated by using the infrared reflectivity spectra from 50 to 4000cm{sup -1}, which were evaluated using Kramers-Kronig analysis and classical oscillator model. The relative tendency of microwave dielectric properties of the specimens calculated from the reflectivity data was in good agreement with the results ...

International Nuclear Information System (INIS)

The acid corrosion inhibition process of mild steel in 1 M HCl by 1-butyl-3-methylimidazolium chlorides (BMIC) and 1-butyl-3-methylimidazolium hydrogen sulfate ([BMIM]HSO_4) has been investigated using electrochemical impedance, potentiodynamic polarization and weight loss measurements. Potentiodynamic polarization studies indicate the studied inhibitors are mixed type inhibitors. For both inhibitors, the inhibition efficiency increased with increase in the concentration of the inhibitor and the effectiveness of the two inhibitors are in the order [BMIM]HSO_4 > BMIC. The adsorption of the inhibitors on mild steel surface obeyed the Langmuir's adsorption isotherm. The effect of temperature on the corrosion behavior in the presence of 5 x 10"-"3 M of inhibitors was studied in the temperature range of 303-333 K. The associated activation energy of corrosion and other thermodynamic parameters such as enthalpy of activation (#DELTA#H), entropy of activation (#DELTA#S), adsorption ...

Energy Technology Data Exchange (ETDEWEB)

The solvation properties of a chlorine ion in small water clusters are investigated using state-of-the-art statistical mechanics. The simulations employ the polarizable water model developed recently by Dang [J. Chem. Phys. [bold 97], 2659 (1992)]. The ion--water interaction potentials are defined such that the successive binding energies for the ionic clusters, and the solvation enthalpy, bulk vertical binding energy, and structural properties of the aqueous solution agree with the best available results obtained from experiments. Simulated vertical electron binding energies of the ionic clusters Cl[sup [minus

Science.gov (United States)

... derived and which describes fundamentally flux enhancement across an artificial membrane or skin: Keywords: Transdermal drug delivery system. ...

UK PubMed Central (United Kingdom)

Dynamic clamp is a powerful method that allows the introduction of artificial electrical components into target cells to simulate ionic conductances and synaptic inputs. This method is based...Full Text Available

International Nuclear Information System (INIS)

Several types of corrosion have damaged alloy 600 tubing in the secondary side of steam generators. The types of corrosion include wastage, denting, intergranular attack, stress corrosion, erosion-corrosion, etc. The environments which cause attack may originate from leaks of cooling water into the condensate, etc. When the contaminated feedwater is pumped into the generator, the impurities may concentrate first 200 to 400 fold in the bulk water, depending on the blowdown, and then further to saturation and dryness in heated tube support plate crevices. Characterization of local solution chemistries is the first step to predict and correct the type of corrosion that can occur. The pH is of particular importance because it is a major factor governing the rate of corrosion reactions. The pH of a solution at high temperature is not the same as the ambient temperature, since ionic dissociation constants, solubility and solubility products, activity coefficients, etc., ...

Energy Technology Data Exchange (ETDEWEB)

Our inability to associate distant regulatory elements with the genes that they regulate has largely precluded their examination for sequence alterations contributing to human disease. One major obstacle is the large genomic space surrounding targeted genes in which such elements could potentially reside. In order to delineate gene regulatory boundaries we used whole-genome human-mouse-chicken (HMC) and human-mouse-frog (HMF) multiple alignments to compile conserved blocks of synteny (CBS), under the hypothesis that these blocks have been kept intact throughout evolution at least in part by the requirement of regulatory elements to stay linked to the genes that they regulate. A total of 2,116 and 1,942 CBS>200 kb were assembled for HMC and HMF respectively, encompassing 1.53 and 0.86 Gb of human sequence. To support the existence of complex long-range regulatory domains within these CBS we analyzed the prevalence and distribution of chromosomal aberrations leading to position ...

Science.gov (United States)

Polycrystalline powders of Na{sub 2x}Mn{sub 1-x}PS{sub 3} have been synthesized from layered MnPS{sub 3} material by successive ion-exchange intercalation of potassium and sodium ions. Their x-ray photoelectron spectroscopy (XPS) and x-ray excited Auger spectroscopy spectra have been measured at room temperature using Mg K{alpha} (1253.6 eV) x-ray source. In particular, the Mn, P, and S 2p and Na 1s and 2p core-level regions and the Na Auger KL{sub 23}L{sub 23} transition have been investigated. All the analyzed XPS core-level spectra display a single-peak structure, suggesting the absence of nonequivalent atoms of Na, Mn, P, and S. The manganese XPS spectrum shows, as observed in MnPS{sub 3} and in its cesium and potassium intercalation compounds, typical shake-up satellites, suggesting that the Mn-S bond is yet mainly ionic in nature. The comparison with the XPS spectra relative to MnPS{sub 3} and its potassium intercalation compound (K{sub 2x}Mn{sub 1-x}PS{sub ...

Energy Technology Data Exchange (ETDEWEB)

Donnan dialysis with ion-exchange membranes was studied under various kinds of experimental conditions using ions of different valences. The diffusion coefficients (D{sub d}) of various kinds of ions in the ion-exchange membrane were obtained by curve fitting an equation derived from the mass balance to three kinds of Donnan dialytic experiments. It was found that the value of D{sub d}/D{sub s} using D{sub d} of monovalent ions in Donnan dialysis with a set of monovalent feed ions and bivalent driving ions was 1/175, where D{sub s} represents a diffusion coefficient in solution. D{sub s} was calculated from the Nernst-Einstein equation substituted by the ionic conductance of ions at infinite dilution in water. Using D{sub d} of bivalent ions in Donnan dialysis with the same set led to a D{sub d}/D{sub s} value of 1/438. Moreover, using D{sub d} in Donnan dialysis with the same set, the value of D{sub d}/D{sub e} was kept constant at 0.4 (D{sub ...

British Library Electronic Table of Contents (United Kingdom)

The key factors of enzymatic lysis of cells are the interaction between the enzyme and the cell - catalytic and non-catalytic adsorption of enzyme on cell surface. Here, the studies of lysis of intact Escherichia coli cells by chicken egg white lysozyme were performed. It was found that the ionic strength has a dual effect onto the system. On the one hand, the desorption constant of the enzyme increases with the increase of the solution ionic strength, which results in a better enzyme performance. On the other hand, due to the higher osmosis, the cell lysis rate decreases with the increasing of ionic strength of the system. It was found that pH 8.6 and 30mM NaCl are optimal conditions for lysis of E. coli cells by lysozyme.

British Library Electronic Table of Contents (United Kingdom)

A novel heteropolyanion-based ionic hybrid was prepared by combining the divalent ionic liquid (IL) cation of 1,1'-(butane-1,4-diyl)-bis(3-methylimidazolium) with the Keggin-structured V-containing heteropolyanion, and characterized by ^1H NMR, FT-IR, ESI-MS, XRD, SEM, TG, BET surface area, melting point, and elemental analysis. Its catalytic activity was evaluated in the hydroxylation of benzene with aqueous H2O2, including the testing of the influence of organic cations, catalytic reusability and optimization of reaction conditions. This hybrid is characterized to be semi-amorphous nanoparticles with a IL-like composition. The hybrid catalyst leads to the liquid-solid biphasic reaction system for hydroxylation of benzene with H2O2, presenting such advantages as high catalytic activity, c...

Science.gov (United States)

Transition-metal chemistry in ionic liquids (IL) has achieved intrinsic fascination in the last few years. The use of an IL as environmental friendly solvent, offers many advantages over traditional materials synthesis methods. The change from molecular to ionic reaction media leads to new types of materials being accessible. Room-temperature IL have been found to be excellent media for stabilising transition-metal clusters in solution and to crystallise homo- and heteronuclear transition-metal complexes and clusters. Furthermore, the use of IL as solvent provides the option to replace high-temperature routes, such as crystallisation from the melt or gas-phase deposition, by convenient room- or low-temperature syntheses. Inorganic IL composed of alkali metal cations and polynuclear transition-metal cluster anions are also known. Each of these areas will be discussed briefly in this contribution. PMID:21743925

UK PubMed Central (United Kingdom)

BackgroundChanges in ionic concentration have a fundamental effect on numerous physiological processes. For example, IP₃-gated thapsigargin sensitive intracellular calcium...Full Text Available

UK PubMed Central (United Kingdom)

In vitro the binding of polyribosomes to smooth endoplasmic-reticulum membranes is more sensitive to ionic strength than is the binding to rough endoplasmic-reticulum membranes. Polyribosomes...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

The L edge absorption of Pd, Ag, Sn, In, and CsI was measured in order to study the density of states and the unoccupied d states. 4 figures. (DLC)

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Results are described of a study and of the characteristics of sources of a non-equilibrium gas-discharge plasma. The plasma generators considered include glow, high frequency, and arc discharge generators. Thermodynamic, ionic, and electronic processes occurring in the plasmas are evaluated.

UK PubMed Central (United Kingdom)

AimsA better understanding of the ionic mechanisms for cardiac automaticity can lead to better strategies for engineering bio-artificial pacemakers. Here, we attempted to better...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

A practical method to determine the ionic diffusion coefficient and activation energy by using quasielastic light scattering (QELS) is presented. It is shown that a temperature dependence curve of the QELS intensity at a fixed frequency can be well fitted by Jonscher's formula and that the diffusion parameters can be obtained from this curve fitting. This method is successfully applied not only to crystals with high optical quality, as reported earlier, but also to opaque ceramics, which are more important than the crystals from a practical point of view. The composition dependence of the ionic diffusion coefficient is studied in sintered YbSZ to show the usefulness of this method.

International Nuclear Information System (INIS)

The Smidsrod empirical stiffness parameter (B) of A. occidentale and A. lebbeck gum were determined using the correlation of intrinsic viscosity [#eta#] with ionic strength. The B value of 0.204 and 0.193 found respectively for A. occidentale and A. lebbeck suggests a flexible the molecule. The ionic strength has a greater influence on the [#eta#]. The decrease of [#eta#] increase of I, from 0.01 M to 0.1 M of NaCl, is higher for A. lebbeck (89%) than for A. occidentale (19%). (author)

International Nuclear Information System (INIS)

We present local two-dimensional and three-dimensional hybrid numerical simulations of particles and gas in the midplane of protoplanetary disks (PPDs) using the Athena code. The particles are coupled to gas aerodynamically, with particle-to-gas feedback included. Magnetorotational turbulence is ignored as an approximation for the dead zone of PPDs, and we ignore particle self-gravity to study the precursor of planetesimal formation. Our simulations include a wide size distribution of particles, ranging from strongly coupled particles with dimensionless stopping time #tau#_s #ident to# #OMEGA#t_s_t_o_p = 10"-"4 (where #OMEGA# is the orbital frequency, t_s_t_o_p is the particle friction time) to marginally coupled ones with #tau#_s = 1, and a wide range of solid abundances. Our main results are as follows. (1) Particles with #tau#_s #approx#> 10"-"2 actively participate in the streaming instability (SI), generate turbulence, and maintain the height of the particle layer before ...

Science.gov (United States)

Simple and low cost biosensor based on screen-printed electrode for sensitive detection of some alkylphenols was developed, by entrapment of HRP in a nanocomposite gel based on single-walled carbon nanotubes (SWCNTs) and 1-butyl-3-methylimidazolium hexafluorophosphate ([BMIM][PF(6)]) ionic liquid. Raman and FTIR spectroscopy, CV and EIS studies demonstrate the interaction between SWCNTs and ionic liquid. The nanocomposite gel, SWCNT-[BMIM][PF(6)] provides to the modified sensor a considerable enhanced electrocatalytic activity toward hydrogen peroxide reduction. The HRP based biosensor exhibits high sensitivity and good stability, allowing a detection of the alkylphenols at an applied potential of -0.2V vs. Ag/AgCl, in linear range from 5.5 to 97.7?M for 4-t-octylphenol and respectively, between 5.5 and 140?M for 4-n-nonylphenol, with a response time of about 5s. The detection limit was 1.1?M for 4-t-octylphenol, and respectively 0.4?M for ...

Energy Technology Data Exchange (ETDEWEB)

Since ionic liquids (ILs) possess several attractive properties, including chemical and thermal stability, nonflammability, high ionic conductivity, and negligible vapor pressure, a new electrolyte system based on ILs has been proposed for chip type aluminum electrolytic capacitors. Four ILs based on imidazolium/pyrrolidinium cations and maleate/phthalate anions have been synthesized and their thermal stabilities have been examined. The 25wt.% solutions of the four ILs in gamma-butyrolactone (GBL) solvent were prepared as electrolytes of chip type aluminum electrolytic capacitors. The conductivity, sparking voltage and thermal stability of these electrolytes have been systematically investigated. The results revealed that the four IL-based electrolytes exhibited high conductivity. Furthermore, the conductivity of maleate anion-based electrolytes is higher than that of phthalate anion-based electrolytes, whereas the high-temperature durability ...

Energy Technology Data Exchange (ETDEWEB)

Samples of austenitic stainless steel AISI 316 were nitrided using the cathodic cage technique with the addition of methane in the nitriding atmosphere. The aim was to study the influence of this technique in reducing the precipitation of chromium nitrite and in improving the wear resistance. The results show that there was a significant improvement in such properties when compared to the results of ionic plasma nitriding. Formation of a double layer, one more internal composed of carbon and another with high nitrogen content, was confirmed by Scanning Electron Microscopy (SEM). The microhardness profile of the layer showed an increase in hardness values and a larger uniformity, while X-ray analysis showed less chromium nitriding precipitation when compared with results obtained for samples treated using ionic plasma nitriding.

Energy Technology Data Exchange (ETDEWEB)

Ultra-thin, uniform, pinhole-free solid polymer electrolyte films having a fixed carboxylic ester group of approximately 1 {mu}m thickness were prepared by polymerization of methyl acrylate and tris(2-methoxyethoxy)vinylsilane in a glow discharge plasma. The carboxylic ester group of the plasma polymer were transformed to lithium carboxylate groups by treatment with lithium iodide. This process give a single lithium ion conductive film. These solid polymer electrolyte films showed ionic conductivities of the order of 10{sup -8} S cm{sup -1} (10{sup 4} {omega} cm{sup 2} resistance per unit area) at room temperature. (orig.).

CERN Document Server

In this paper we develop an analytical framework for the study of electrochemical impedance of mixed ionic and electronic conductors (MIEC). The framework is based on first-principles and it features the coupling of electrochemical reactions, surface transport and bulk transport processes. We utilize this work to analyze two dimensional systems relevant for fuel cell science via finite element method (FEM). Alternate current Impedance Spectroscopy (IS) of a ceria symmetric cell is simulated near equilibrium condition (zero bias) for a wide array of working conditions including variations of temperature and $H_2$ partial pressure on a two dimensional fuel cell sample with patterned metal electrodes. The model shows agreement of IS curves with the experimental literature with the relative error on the impedance being consistently below 2%. Important two-dimensional effects such the effects of thickness decrease and the influence of variable electronic and ...

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The Dowex 50W-X8 and 50W-Xl2 resin samples are both strong acid cation materials in the hydrogen form. Each material has a water retention capacity characteristic of its respective marketed degree of cross-linking. Dowex 21K gives confirmatory responses to tests for a strong anion exchange resin in the nitrate form. All three resins have the manufacturer`s specified ionic type and form, and the Dowex 50W resins have characteristic water retention capacities. These tests conclude that the ion exchange resins in use in FB-Line meet the approved safety document criteria for cross-linking, ionic form, and resin type.

British Library Electronic Table of Contents (United Kingdom)

This study compares two series of solvents for application in aluminum electrolytic capacitors: ethylene glycol (EG) and water mixtures, and ethylene glycol and 1-n-butyl-3-methylimidazolium tetrafluoroborate (BMI.BF4) ionic liquid (IL) mixtures. Electrochemical impedance spectroscopy and cyclic voltammetry were carried out with a previously anodized aluminum disk electrode. Comparative measurements of solution resistance, polarization resistance, AC capacitance, and passive current were made. The results show that EG?IL mixtures with low amounts of IL (10% IL?90% EG v/v) have a low solution resistance. Low values of solution resistance, high values of polarization resistance, small passive current, and uniform capacitance of anodized aluminum in EG?IL mixtures are favorable properties of ...

UK PubMed Central (United Kingdom)

To clarify the kinetic characteristics and ionic requirements of the tonoplast H⁺-translocating inorganic pyrophosphatase (H⁺-PPiase), PPi hydrolysis and PPi-dependent H⁺...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

This paper presents ionic conductivity results obtained with polymer electrolytes and also with propylene carbonate solutions. The domain of electrochemical activity of this salt has been determined using cycle volt-amperometry in propylene carbonate. Preliminary experiments on the stability of the polymer electrolyte with respect to the lithium electrode have been carried out for a possible subsequent use in lithium batteries. (J.S.) 4 refs.

Energy Technology Data Exchange (ETDEWEB)

Analysis of published NMR relaxation data of /sup 6/Li and /sup 7/Li in Li/sub 3/N leads to a unique model fo Li/sup +/ hopping along the c-axis. It is one in which an ion goes directly from one Li(1) plane to another Li(1) plane by passing through the intermediate Li(2) plane.

Energy Technology Data Exchange (ETDEWEB)

Intrinsic crossluminescence (CRL) of CsBr, CsCl, and of BaF{sub 2} was investigated with electron-beam and synchrotron radiation excitation. From the CRL spectra, the excitation spectra and the reflectivity, energy level schemes were deduced. Extrinsic CRL was observed changing either the initial (CsCl:Br{sup -}) or the final (RbCl:Cs{sup +}; KCl:Cs{sup +}) state of CRL by doping. (author).

International Nuclear Information System (INIS)

The stability constants of [AtX_2]"- with X = Cl, Br and I in ethanol and methanol as well as their ion mobilities at a temperature of 298 K and an ionic strength of 0.05 were determined by horizontal zone electromigration in homogeneous electrolyte solution. The results are compared with existing data from aqueous electrolyte systems. (author).

International Nuclear Information System (INIS)

Chemical effects on the intensity ratio of LX-ray of molybdenum compounds irradiated by 11-keV electrons and by 3-MeV protons were studied using an x-ray crystal spectrometer. It was found that the intensity ratios of L_#gamma#_1/L_#beta#_1 markedly decrease with the increase of ionicity of molybdenum compounds, except for the case of metallic molybdenum. (author).

Science.gov (United States)

Our long-term goal is to enable highly productive plant species to extract, resist, detoxify, and/or sequester toxic heavy metal pollutants as an environmentally friendly alternative to physical remediation methods. We have focused this phytoremediation research on soil and water-borne ionic and methylmercury. Mercury pollution is a serious world-wide problem affecting the health of human and wild-life populations. Methylmercury, produced by native bacteria at mercury-contaminated wetland sites, is a particularly serious problem due to its extreme toxicity and efficient biomagnification in the food chain. We engineered several plant species (e.g., Arabidopsis, tobacco, canola, yellow poplar, rice) to express the bacterial genes, merB and/or merA, under the control of plant regulatory sequences. These transgenic plants acquired remarkable properties for mercury remediation. (1) Transgenic plants expressing merB (organomercury lyase) extract methylmercury from their ...

Energy Technology Data Exchange (ETDEWEB)

Using a series of polycations synthesized by atom transfer radical polymerization (ATRP), we investigate the effects of the polymer charge density and hydrophobicity on salt-induced interdiffusion of polymer layers within polyelectrolyte multilayer (PEM) films. Polycations with two distinct hydrophobicities and various quaternization degrees (QPDMA and QPDEA) were derived from parent polymers of matched molecular weights poly(2-(dimethylamino)ethyl methacrylate) (PDMA) and poly(2-(diethylamino)ethyl methacrylate) (PDEA) by quaternization with either methyl or ethyl sulfate. Multilayers of these polycations with polystyrene sulfonate (PSS) were assembled in low-salt conditions, and annealed in NaCl solutions to induce layer intermixing. As revealed by neutron reflectometry (NR), polycations with lower charge density resulted in a faster decay of film structure with distance from the substrate. Interestingly, when comparing polymer mobility in QPDEA/PSS and QPDMA/PSS films, layer ...

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A type of mesoporous ZrO{sub 2} was synthesized and its phosphate removal potential was investigated in this study. The adsorption isotherm, pH effect, ionic strength effect and desorption were examined in batch experiments. The adsorption data fitted well to the Langmuir model with which the maximum P adsorption capacity was estimated to be 29.71 mg P/g. The amount of phosphate adsorbed increased rapidly in the first 5 h and slowly towards the end of the run, suggesting the possible monolayer coverage of phosphate ions on the surface of the adsorbent. The phosphate adsorption tended to increase with a decrease of pH and an increase of ionic strength. A phosphate desorbability of approximately 60% was observed with 0.5 M NaOH, which indicated a relatively strong bonding between the adsorbed PO{sub 4}{sup 3-} and the sorptive sites on the surface of the adsorbent. The immobilization of phosphate probably occurs by the mechanisms of ion exchange ...

International Nuclear Information System (INIS)

Li_1_._3Al_0_._3Ti_1_._7(PO_4)_3 thin films were successfully prepared by the solution deposition using lithium acetate, aluminum nitrate, ammonium dihydrogen phosphate and titanium butoxide as starting materials. The structure, surface morphology, electrochemical window, and ionic conductivity of the films were studied by X-ray diffraction, scanning electron microscopy, cyclic voltammetry and AC impedance. The results showed that Li_1_._3Al_0_._3Ti_1_._7(PO_4)_3 thin films annealed between 750 deg. C and 900 deg. C prepared by this method were well crystallized, homogenous and crack-free. The electrochemical window was beyond 2.4 V and the ionic conductivity was approximately 1.57x10"-"5 S/cm at room temperature for the film annealed at 800 deg. C for 30 min.

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For the development of high ionic conductive solid electrolyte, LiTi2(PO4)3 (LTP), one of the promising inorganic solid electrolyte, was synthesized to investigate an effect of additional lithium salt on the ion conductivity. Lithium salt added LTP composite electrolyte sintered at 900{degree}C exhibited highest conductivity, which was two order magnitude higher than pure LTP. Effects of lithium salt addition are as follows. Conductivity of the composite electrolyte provided larger sintering temperature dependence than the pure LTP. From X-ray diffraction analysis, structures and compositions were resemble between two composite electrolytes. Byproducts except LTP provided rather low conductivity. It was suggested that melted constitution in the composite can affect the sintering improvement by the additional lithium salt at temperatures over 800 {degree}C. From the observation of ruptured surface of sintered specimens, grain growth was found only for the composite ...

International Nuclear Information System (INIS)

Liquid-liquid extractive separation of lithium isotopes was carried out in order to investigate the fluctuation of separation factors (a) as a function of salt concentrations in an aqueous phase. Two equations for separation factor (a_o_b_s) as a function of the concentration were introduced; one for the diluted region, and another for the concentrated region. In the former solution where hydrated lithium ions are predominant, 1n a_o_b_s = Ac + B, and in the latter where ion-pairs with anions are predominant, 1n a_o_b_s = Dc + E(c - F)"1"/"3 + G. Some guidelines are derived from the salt-specific constants A, B, D, E, F and G. The heavier isotopes are inclined to be in the more hydrated state in the diluted solution, while the lighter isotopes tend to be in a less hydrated state. In the concentrated solution, heavier isotopes are more likely to be in ion-pair form. Ionic association occurs from the lower concentration in the order of LiI < LiBr < LiCl. The ...

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A novel composite film, comprising of hydrophobic ionic liquid (IL), multi-walled carbon nanotubes (MWNTs) and gold nanoparticles (GNP), was fabricated and characterized. The GNP was introduced through electrochemical deposition on IL-MWNT gel film coated glassy carbon electrodes (GCE). Experiments showed that both IL and MWNTs could facilitate the GNP deposition. With GNP the composite film exhibited smaller electron transfer resistance and higher sensitivity in sensing guanine (G) and adenine (A). Under the optimized experimental conditions, the anodic peak currents were linear to the analyte concentration in the ranges of 0.008-2.0 {mu}M. The detection limits were down to nanomole level after an accumulation of 150 s on open-circuit. In addition, on the composite film coated GCE, the anodic peaks of G and A were well separated, and their response sensitivities kept almost unchanged no matter whether they coexisted or not. This proposed procedure was successfully ...

International Nuclear Information System (INIS)

Zirconium phosphate was one of the earliest inorganic ion-exchange suggested for removing strontium and cesium from aqueous nuclear waste. This paper studied ionic exchange to remove Cs-137 and Sr-90 by using different cationic of zirconium phosphate. In this case the parameters studied were the effect of temperature and ion concentration to percent up take and distribution coefficients. It is also conducted the study on column experiments to determine the breakthrough curves for Cs-137 and Sr-90. The result showed the potential of use of zirconium phosphate in radioactive waste treatment. (author)

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Relatively low molecular weights polyelectrolytes (10{sup 4}-10{sup 6}) behave as worm-like chain when electrostatic repulsions are assumed to govern the excluded volume parameter. Under such conditions, predictions of chain expansion and effect of polyelectrolyte concentrations are made assuming that unperturbed dimensions could be obtained at infinite salt content. Experimental studies of an ionic polysaccharide, namely the Na-hyaluronate, were done and the values obtained for the radius of gyration as well as the intrinsic viscosity at different charge densities are in good agreement with the predictions.

International Nuclear Information System (INIS)

Conduction properties of Rb"+ ion in Rb-Al-priderite and K"+ ion and Rb"+ ion in (K,Rb)-Al-priderite, were investigated by NMR using "2"7Al in the framework as a probe. Size effect was observed remarkably in the activation energies. Frequency dependence of T_1 in Rb-Al-priderite at a low temperature indicates that the relaxation behavior of "2"7Al in Rb-Al-priderite can be described by the continuum model. Barrier height distributions and 'attempt frequencies' in both samples obtained by a curve-fitting method are discussed in comparison with those of K-Al-priderite. (orig.).

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Intraionic spin-orbit--split multiplet levels have been observed by electronic Raman scattering in the intermediate-valence compound EuPd/sub 2/Si/sub 2/. From the temperature dependence of the Raman peak positions and widths the interconfigurational excitation energy E/sub x/ and an upper limit of the interconfigurational mixing width T/sub f/, respectively, have been obtained. This is the first spectroscopic support for the underlying assumptions of the ionic interconfigurational fluctuation model that has been proposed to describe intermediate valence.

International Nuclear Information System (INIS)

Twenty rheumatoid arthritis (RA) patients with involvement of the cranio-cervical junction (CCJ) were given CT scan. In most cases the myelo-CT technique with the lumbar injection of small quantities of non-ionic contrast medium was adopted; CT easily diagnosed the horizontal and vertical dislocations on the CCJ, the bone strcture lesions and the inflammatory masses. A high frequency of medullary compressions was also found in these patients. Myelo-CT appears to be the technique of choice for the precise definition of the various factors responsible for the neurological complications found in RA of the CCJ.

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The biodegradation of one of the most commonly used commercially available dispersants in the treatment of hydrocarbon out-flow was studied. The culture mediums employed were sea water, sterile sea water, and medium M19 (Merck). The latter two were inoculated with two kinds of microorganisms of the Pseudomona genus isolated from sludge from a waste treatment plant. The dispersants used is a commercial product made of anionic sulphated dispersants (1.710% by weight); anionic sulphonated dispersants (0.144%) and non-ionic dispersants (8.146%), both accompained by hidrocarbonated solvent (90%). The degradation processes occurred at differents temperatures (20, 30 and 37). The greatest degradation was obtained at 30 degree centigree. The degradation percentages obtained with the miscroorganisms were 40% of the anionic total and 70% of the non-ionic total after 56 hours for the 5:2 strain and 40% of the anionic total and 9.3% of the ...

Energy Technology Data Exchange (ETDEWEB)

No abstract prepared

Energy Technology Data Exchange (ETDEWEB)

No abstract prepared.

Energy Technology Data Exchange (ETDEWEB)

A method for calculating plume rise above stack level is presented. The equations set forth by Briggs, which are presently the most popular for such calculations, are discussed. A method using 2 nomographs, simplifying the calculations is given. (JMT)

Science.gov (United States)

High-level ab initio calculations have been performed on the exo and endo isomers of gas-phase

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{sup 60}Co is produced as an activation product and is present in the low-level aqueous radioactive waste released from the La Hague plant. At present, the concentration in the sea (non filtered at 0.45 {mu}m) at the Goury site are close to or even below, the detection limit: 0.2 mBq.l{sup -1}. The {sup 60}Co speciation depends on the type of effluent considered: in the effluent A ('active'), the cobalt is in the form of a stable trivalent complex; in the effluent V (to be checked), the cobalt is in majority (50% of the activity release) in the form of particles (>0.45 {mu}m), and then in the form of two soluble species: ionic divalent (Co{sup 2+}) and some stable complexes. The evolution of the reprocessing techniques used does not affect the speciation. So, since the nuclear reprocessing plant started at the La Hague plant in 1966, the chemical species discharged in the sea shows time variation related to the evolution of the type of ...

British Library Electronic Table of Contents (United Kingdom)

A numerical model is developed to study electrolyte dependent kinetics in fuel cells. The model is based on the Poisson-Nernst-Planck (PNP) and generalized-Frumkin-Butler-Volmer (gFBV) equations, and is used to understand how the diffuse layer and ionic transport play a role in the performance difference between acidic and alkaline systems. The laminar flow fuel cell (LFFC) is used as the model fuel cell architecture to allow for the appropriate comparison of equivalent acidic and alkaline systems. We study the overall cell performance and individual electrode polarizations of acidic and alkaline fuel cells for both balanced and unbalanced electrode kinetics as well as in the presence of transport limitations. The results predict cell behavior based on electrolyte composition that strongly...

British Library Electronic Table of Contents (United Kingdom)

Abstract The electrochemical properties of a perfluorosulfonic acid (PFSA) membrane are estimated using a combination of molecular dynamics simulation and statistical thermodynamic model. We obtain all parameters in an ionic conductivity model from an atomistic simulation and remove all adjusted model parameters. From a microscopic point of view, the hydrated PFSA membrane shows micro-phase segregation which separated into hydrophilic and hydrophobic phases. Our present work originates with this phenomenon and we treat this phase segregation as if it is a continuous phase for each of which the proton (H+) is transported inside the PFSA membrane/solvent (water and alcohols) mixture. The chemical potential for a given system is estimated using a molecular simulation technique to predict the ...

British Library Electronic Table of Contents (United Kingdom)

Abstract Purpose: We investigated the effects of various rinsing and healing protocols on corneal wound repair and inflammation following alkali burn in rabbits. Methods: We conducted in vitro, in vivo and ex vivo studies. First, different rinse solutions were tested in vitro after incubation of ocular cells with methanol or NaOH. Cell viability was then assessed using the neutral red test (cytofluorometry). Second, NaOH was applied to rabbit corneas and associations of rinse solutions (NaCl 0.9% or controlled ionization marine solutions) with N-acetylcysteine or vegetable oils (from Calophyllum inophyllum and Aleurites moluccana) were tested in vivo. The regeneration of the corneal epithelium and the infiltration of inflammatory cells were evaluated using in vivo confocal microscopy and e...

British Library Electronic Table of Contents (United Kingdom)

The crystal structure of Ca2RuD6 has been determined by neutron powder diffraction: space group Fm3m, K2PtCl6 structure, as found for other hexahydride salts of group 8 metals with alkaline earth or lanthanide counter ions. No structural phase transition was observed between 340K and 50K. The deuterium nuclear quadrupole coupling constant, 54.7kHz, leads to an ionic character of the Ru-D bond of 76%. The known trends in the behaviour of A2MH6 salts are interpreted in terms of the ionization energies of the cation and the central metal atom.

Energy Technology Data Exchange (ETDEWEB)

The lithium carbon batteries studied in this paper use plasticized polymer electrolytes made with passive polymer matrix swollen by a liquid electrolyte with a high ionic conductivity (> 10{sup -3} S/cm at 25 deg. C). The polymers used to prepare the gels are polyacrylonitrile (PAN) and vinylidene poly-fluoride (PVdF). The electrochemical and physical properties of these materials are analyzed according to their composition. The behaviour of solid electrolytes with different materials of lithium ion insertion (graphite and LiNiO{sub 2}) are studied and compared to liquid electrolytes. The parameters taken into account are the reversible and irreversible capacities, the cycling performance and the admissible current densities. Finally, complete lithium ion batteries with gelled electrolytes were manufactured and tested. (J.S.) 2 refs.

International Nuclear Information System (INIS)

Consideration is given to the data, demonstrating the effect of ion radiation on strength characteristics of ionic crystals, presented by magnesium oxide. Crystals, prepared in the form of plates, were irradiated by Si"+, Fe"+, C"+ ions by the dose of 10"1"6-10"1"7 ion/cm"2 at room temperature in vacuum. The following characteristics were investigated: dislocation density, microhardness, crack resistance. Investigation of dislocation structure showed, that dislocation density in irradiated sample was 2-3 times higher, as compared to nonirradiated one. Sufficient increase of fracture viscosity of MgO crystals was revealed. It can be conditioned by occurrence of compression stresses in the surface layer, decelerating crack formation and propagation.

International Nuclear Information System (INIS)

A poly(ether urethane) (PEUR)/poly(ethylene oxide) (PEO)/SiO2 based nanocomposite polymer is prepared and employed in the construction of high efficiency all-solid-state dye-sensitized nanocrystalline solar cells. The introduction of low-molecular weight PEUR prepolymer into PEO electrolyte has greatly enhance the electrolyte performance by both improving the interfacial contact properties of electrode/electrolyte and decreasing the PEO crystallization, which were confirmed by XRD and SEM characteristics. The effects of polymer composition, nano SiO2 content on the ionic conductivity and I3- ions diffusion of polymer-blend electrolyte are investigated. The optimized composition yields an energy conversion efficiency of 3.71% under irradiation by white light (100 mW cm-2).

Energy Technology Data Exchange (ETDEWEB)

Certain fluorocarbons, such as difluorodichloromethane (FC 12), depress the cardiovascular system by diminution of all the transmembrane ionic conductances in cardiac tissues. Does FC 12 also inhibit active transport and thus enzymatic activity and cellular energy. We measured phosphocreatine (PC), adenosine triphosphate (ATP) and cyclic adenosine monophosphate (AMPc) in rat hearts. Rats were randomly divided into 4 groups; 2 control groups: one breathing a mixture of oxygen (21%) and nitrogen (79%) (group C) and the other breathing the same mixture but simultaneously perfused with 1 microgram/kg/min. epinephrine (groupe E-C); 2 trial groups T and E-T where nitrogen was replaced by FC 12. The maximal FC 12 concentration of 720 micrograms/ml in arterial blood produced no significant difference in the concentrations of these three metabolites compared with controls.

International Nuclear Information System (INIS)

Purpose: To compare the diagnostic quality and adverse events of the water-soluble, non-ionic, iso-osmolar, dimeric contrast media iodixanol and iotrolan in hysterosalpingography (HSG). Material and Methods: One hundred and twenty patients participated in a double-blind randomized parallel-group phase-III study. Questionnaires and patient interviews were used. Diagnostic quality was assessed using a visual analogue scale and the quality in specific regions was rated using a categorical scale. Results: Overall diagnostic quality was equal for the two groups. There was no statistically significant difference between the two groups in diagnostic quality in the specific regions of interest. No differences between the contrast media were found with regard to adverse events. Conclusion: Both contrast media provided images of high diagnostic quality in HSG. (orig.)

British Library Electronic Table of Contents (United Kingdom)

Protein hydrogels were prepared by substituting ovalbumin with different concentrations of ethyl vinyl sulfone (EVS) or acrylic acid (AA) and crosslinking with divinyl sulfone (DVS). Fourier transform-infrared (FT-IR) spectroscopic studies confirmed the addition of EVS, AA, and DVS onto the protein. Swelling was assessed as a function of pH in the range of 2.5 to 9.4 and ionic strength. The elastic modulus of the gels was determined in shear and compression. Stress relaxation was assessed in compression. The substituent highly affected swelling and modulus with both hydrogels displaying non-Gaussian behavior in the range of hydrogel environments studied. Acrylic acid substituted ovalbumin exhibited a decreasing modulus with increasing swelling behaving as a polyelectrolyte with low added s...

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The objective of this work is to improve the process for CO{sub 2} capture by alkanolamine absorption/stripping by developing an alternative solvent, aqueous K{sub 2}CO{sub 3} promoted by piperazine. CO{sub 2} mass transfer rates are second order in piperazine concentration and increase with ionic strength. Modeling of stripper performance suggests that 5 m K{sup +}/2.5 m PZ will require 25 to 46% less heat than 7 m MEA. The first pilot plant campaign was completed on June 24. The CO{sub 2} penetration through the absorber with 20 feet of Flexipac{trademark} 1Y varied from 0.6 to 16% as the inlet CO{sub 2} varied from 3 to 12% CO{sub 2} and the gas rate varied from 0.5 to 3 kg/m{sup 2}-s.

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Arsenic and hydrogen ions produced from a mixture of arsine and hydrogen gas were implanted with a dose of 3 x 10{sup 15} As{sup +} ions/cm{sup 2} into silicon using an ion-shower implanter. The dominant ionic species implanted into the silicon were As{sub 2}H{sup +}, AsH{sup +}, H{sub 5}{sup +}, and H{sub 3}{sup +} ions. Arsenic atoms diffused into the silicon with large diffusion coefficients during annealing at 700 and 800 C. However, when the implanted silicon was annealed at 900 C, the arsenic atoms diffused into a deeper region in the silicon with a very small diffusion coefficient that was independent of concentration. (Abstract Copyright [2003], Wiley Periodicals, Inc.)

International Nuclear Information System (INIS)

Experiments have been reported previously in which lead-212 ions with lead carrier were instilled into the lungs of anaesthetised rabbits. Experiments were also reported in which bismuth-207 chloride was instilled into rabbit lung. To check that the chloride compound was cleared in the same way as ions instilled in isolation, lead-203 chloride has been instilled in three rabbits. Measurements of absorption of ionic lead have been repeated using the radon-222 daughter, lead-214. Rates of clearance from the lung of "2"0"3Pb as the chloride and "2"1"2Pb ions are compared, and retention functions are derived. Clearance from the lung of "2"1"4Pb ions is also shown, and retention functions are derived. (U.K.).

International Nuclear Information System (INIS)

We report the implementation of positron wave function and lifetime calculations in the all-electron full-potential linearized augmented plane wave method. Calculations of lifetimes for more than 30 materials with two different forms of the enhancement factor were done and compared to prior calculations and experiment. We find that reasonable agreement with experiment can be obtained within the local density approximation when all-electron full-potential calculations are done.

International Nuclear Information System (INIS)

The applicability of Broyden's second method for accelerating the convergence of self-consistent electronic-structure calculations based on the linearized augmented-plane-wave method is discussed in terms of a W(001) surface calculation. It is found that its use results in a significant improvement in the convergence of the calculation, and based on this it is concluded that its use should increase the size of the systems for which such calculations are feasible.

International Nuclear Information System (INIS)

Oxide ionic conductivities of (CeO_2)_x(Sc_2O_3)_(_0_._1_1_-_x_)(ZrO_2)_0_._8_9 (x = 0.01-0.10) electrolytes were optimized for the application in intermediate-temperature solid oxide fuel cell (IT-SOFC). Powders with different contents of CeO_2 and Sc_2O_3 were prepared via a co-precipitation method. The obtained powders and pellets were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), energy dispersive spectroscopy (EDS) and impedance spectroscopy. Among all the compositions, (CeO_2)_0_._0_4(Sc_2O_3)_0_._0_7(ZrO_2)_0_._8_9(4Ce7ScZr) gives the highest ionic conductivity of 0.065 S cm"-"1 at 800 "oC. The effects on densification and electrical properties of different sintering additives, such as SiO_2, MgO, Co_3O_4, MoO_3 and Bi_2O_3, were studied and different conducting behavior with these additives were observed. The densification temperatures of CeO_2 and Sc_2O_3 co-doped electrolytes can be reduced by around ...

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Perturbative approach to two-dimensional gravity and supergravity is considered. One-loop renormalization of the central charge of SL(2,R) Kac-Moody algebra is calculated perturbatively by functional integration and by explicit calculations of the Feynman diagrams. Also the wavefunction renormalization and the anomalous dimensions in the presence of gravity are calculated.

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This paper presents calculations of the {sup 252}Cf-source-driven noise analysis measurements for subcritical highly enriched uranium metal cylinders using the Monte Carlo code MCNP-DSP. This code directly calculates the noise analysis data from the {sup 252}Cf- source-driven noise analysis method for both neutron and gamma ray detectors. Direct calculation of experimental observables by the Monte Carlo method allows for the benchmarking of the calculational model and the cross sections and for determining the bias in the calculation.

Science.gov (United States)

Removal Sampling is an easy-to-use Windows program which calculates population statistics from removal trapping experiment data. Using maximum likelihood methods it ... ...

Science.gov (United States)

Sep 12, 1975 ... POCKET CALCULATORS. Jose P. Olivares 35, Robert B. Clowns and ... of pocket calculators and has an- Washington to arrive by Nov. 20. ...

International Nuclear Information System (INIS)

Augmented plane wave calculation of gadolinium electronic structure crystallized in a hexagonal close-packed lattice is carried out.

Energy Technology Data Exchange (ETDEWEB)

No abstract prepared.

Energy Technology Data Exchange (ETDEWEB)

The ..beta.. decay half-lives of neutron-rich isotopes with Z=24-28 are calculated in the QRPA with a Gamow-Teller residual interaction. For odd-mass and odd-odd systems QRPA phonon correlations are introduced to quasiparticle transitions in first-order perturbation. The calculated half-lives agree very well with the experimental values. For later application of this model to nuclei far from stability, we have examined the dependence of the calculated half-lives on the model parameters.

International Nuclear Information System (INIS)

... astatine complexes astatine compounds coulomb energy effective charge

International Nuclear Information System (INIS)

The #beta# decay half-lives of neutron-rich isotopes with Z=24-28 are calculated in the QRPA with a Gamow-Teller residual interaction. For odd-mass and odd-odd systems QRPA phonon correlations are introduced to quasiparticle transitions in first-order perturbation. The calculated half-lives agree very well with the experimental values. For later application of this model to nuclei far from stability, we have examined the dependence of the calculated half-lives on the model parameters. (orig.).

Energy Technology Data Exchange (ETDEWEB)

An algebraic formulation of the electromagnetic field in which various quantization procedures can be described was chosen to discuss perturbation calculations. It is shown that the Feynman rules and the second order calculation of the self-energy of the electron can be developed on the basis of the Fermi method of quantization. The algebraic approach clarifies the problems in defining the vacuum and other states which are associated with calculations in terms of field algebra operators. It is demonstrated that the vacuum state defined on the field algebra by Schwinger leads to incorrect results in the self-energy calculation.

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A novel direct calculation method of response matrices on heterogeneous lattices by using the Monte Carlo method is proposed. These direct response matrices (DRMs) can be used in core calculations in place of the conventional homogenized lattice constants. The DRMs are formalized by four sub response matrices (sub-RMs) in order to respond to a core eigenvalue, k; thus the DRMs can be re-evaluated on each outer iteration in the core calculations. The sub-RMs can be evaluated by analyzing each neutron's trajectory from ordinary lattice calculations with the Monte Carlo code. Since these sub-RMs are calculated directly under an actual complex assembly geometry, i,e., without a homogenization process, intra-assembly heterogeneous effects can be reflected on global partial current balance calculations. With using two of the sub-RMs, which deal with neutron ...

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The sequential layer-by-layer adsorption of polyanions and polycations to build polyelectrolyte multilayers has triggered enormous interest in their potential uses in a wide range of fields, from photonic to pharmaceutical applications. We show that the conformation of the solvent swollen films - prior to drying - is determined by the initial adsorption conditions, but can be altered ex-situ by exposure to a liquid phase of very high ionic strength. Recently it has been observed that the swelling depends on the charge of the outermost layer. In the PAH/PSS system we saw that assemblies with PSS as the outermost layer swell more than those with PAH outside. A neutron reflectivity study of this effect in addition indicated the existence of two kinds of water, bound with different strength within the films. Beside an unexpected two-step kinetics of swelling, the reflectivity curves of the layers against vacuum before and after re-hydration in D{sub 2}O vapor did not ...

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Mixed-conducting Sr-Fe-Co oxides have potential applications in dense ceramic membranes for high-purity oxygen separation and/or methane conversion to produce syngas (CO + H{sub 2}), because of their combined high electronic/ionic conductivity and significant oxygen permeability. We studied the crystal structure and microstructure of the system in X-ray diffraction experiments and by using scanning electron microscopy, respectively. Thermogravimetric analysis was conducted on the SrFeCo{sub 0.5}O{sub x} sample in environments of various oxygen partial pressures (pO{sub 2}). Conductivity increased while weight decreased with increasing temperature. Activation energy decreased while conductivity increased with increasing pO{sub 2}. The pO{sub 2}-dependent conducting behavior of the SrFeCo{sub 0.5}O{sub x} system can be understood by considering the trivalent-to-divalent transition of transition-metal ions.

British Library Electronic Table of Contents (United Kingdom)

In this research, new thin freestanding films of poly(methyl methacrylate) (PMMA)/50% epoxidised natural rubber (ENR 50) were doped with lithium triflate, LiCF3SO3 salt was prepared by a solvent casting method. The incorporation of ENR 50 is found to increase the conductivity of PMMA/LiCF3SO3 by two orders of magnitude at room temperature. The highest conductivity achieved was 5.09x10-5Scm-1 at room temperature when 60% of LiCF3SO3 salt was introduced into the PMMA blend containing 10% ENR 50. The formation of excessive hydrogen bonds and interchain crosslinking limit the performance of the blend at higher concentrations of ENR 50. The ionic conduction mechanisms in PMMA/ENR 50/LiCF3SO3 electrolytes obey the Arrhenius rule in which the ion transport in these materials is thermally assisted...

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Carbon nanofiber (CNF) supported cobalt oxide composites as high-capacity anode materials were prepared through a facile, effective method for potential use in rechargeable lithium-ion batteries. The effects of the calcining temperature on the crystallinity, grain size, specific surface area of Co{sub 3}O{sub 4} and phase transformation from Co{sub 3}O{sub 4} to CoO were studied in detail. Both the specific surface area and CNF content in CNF-cobalt oxide composites strongly affect the electrochemical performance of these series composites. The CNF-Co{sub 3}O{sub 4} composite with 24.3% CNF pyrolyzed at 500 deg. C in Ar shows an excellent cycling performance, retaining a specific capacity of 881 mAh g{sup -1} beyond 100 cycles. Homogeneous deposition and distribution of nanosized Co{sub 3}O{sub 4} particles on the surface of CNF can stabilize the electronic and ionic conductivity as well as the morphology of Co{sub 3}O{sub 4} phase, which may be the main reason for ...

International Nuclear Information System (INIS)

The distribution of Cu, Ni, Co and Mn between an aqueous solution of constant ionic strength and Versatic Acid 911 diluted with benzene was investigated. Only one extracted species of Cu was revealed to have a dimeric structure of the composition (CuR_2.RH)_2, while both monomer and dimer were found in the extraction of Ni, Co and Mn. The curve-fitting method was employed to determine these species, from which the composition of the extracted species was found to be NiR_2.4RH and (NiR_2.2RH)_2, CoR_2.4RH and (CoR_2.2RH)_2, and MnR_2.4RH and (MnR_2.2RH)_2, respectively. The apparent equilibrium constants of the above species and those between monomer and dimer were also determined. The curve-fitting method was proved to be a precise method for determining the equilibrium constants and extracted species. (author).

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Laser desorption (LD) and thermal desorption (TD) mass spectra of the metallofullerenes found in arc-produced primary soots have been studied for a large variety of alkaline earth and lanthanide elements. The metallofullerene ratios found in the LD spectra indicate that two distinct groups are observed: Sc, Y, La, Ce, Pr, Nd, Gd, Tb, Ho, Er, and Lu (group A) and Ca, Sr, Sm, Eu, and Yb (group B). The TD spectra of most of these same soots also separate into two groups that contain the same elements as groups A and B. Group A metallofullerenes show strong signals in both LD and TD spectra. Group B metallofullerenes are distinguished by their presence in the LD spectra but absence in the TD spectra. From the general ionic behavior of the elements of these groups, and recent studies of the endohedral oxidation states, we propose that the oxidation states are +3 for group A and +2 for group B. C[sub 70] metallofullerenes are anomalous in that they are absent in TD ...

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The single-electrode capacitance of a nano-porous carbon electrode used as an electric double layer capacitor was measured. The charged state of the electrolyte ion was discussed from the results. Single-electrode capacitance was not proportional to the specific surface area of the electrode. This implies that the whole surface of the electrode is not effective for the formation of an electric double layer. It is considered that edge orientation of the carbon structure would give a dominant contribution to capacitance. For measurements with aqueous solutions of various electrolytes, capacitance was about the same value for each salt compound. For aqueous acid solution, on the other hand, capacitance was twice to three times as large as that for salt compounds. This difference, however, became negligibly small if the concentration of electrolyte solution was lowered. Taking account of the hydrated ionic radius of each ion, it was considered that ions in salt ...

International Nuclear Information System (INIS)

A process is described for the selective oxidation of ammonia to nitric oxide in about 90% or greater yield with a minimum of nitrogen or dinitrogen oxide (N/sub 2/O) as by-products, comprising: (1) contacting gaseous ammonia in an oxygen containing gas optionally with an inert gaseous diluent with a mixed metal perovskite catalyst of the general formula: ABO/sub 3/, wherein: A is selected from the alkali, alkaline earth, lanthanide, or actinide metals or a mixture of these metals having a relatively large ionic, radius, and B is selected from an element or a combination of elements selected from Groups IB, IVB, VB, VIB, VIIB, or VIII of the Periodic Table, wherein the perovskite phase of the catalyst has an equilibrium partial pressure of oxygen at 1000"0C of greater than about 10/sup -15/ bar; and (2) heating the reactants of step (1) at greater than about 500"0C under conditions of 10 to 100,000 hr/sup -1/ hourly space velocity.

International Nuclear Information System (INIS)

Cyclic voltammograms of SUS 304 stainless steel in various neutral solutions such as Na_2SO_4 at high temperature were measured, as a successive study to previous report in which effects of temperature and pH on polarization behavior of stainless steel were studied. In this measurement Ag/AgCl reference electrode and platinum counter electrode were used in a static autoclave lined with inconel. Passive films formed in various conditions were analysed by electron diffraction and Auger spectroscopy. Results obtained were compared with anodic behavior of iron, chromium and nickel and with thermodynamical stabilities of their compounds. The main results are summarized as follows. (1) Stainless steel shows such electrochemical behavior as active dissolution, passivation and transpassivation in a deaerated neutral solution at 250"0C after fully reductive treatment of the specimen. In air-saturated solution, the peak of active dissolution is not observed. In the passive range there are ...

Energy Technology Data Exchange (ETDEWEB)

In ionic nanocrystals the cationic sub-lattice can be replaced with a different metal ion via a fast, simple, and reversible place-exchange, allowing post-synthetic modification of the composition of the nanocrystal, while preserving its size and shape. Here, we demonstrate for the first time that during such an exchange, the anionic framework of the crystal is preserved. When applied to nanoheterostructures, this phenomenon ensures that compositional interfaces within the heterostructure are conserved throughout the transformation. For instance, a morphology composed of a CdSe nanocrystal embedded in a CdS rod (CdSe/CdS) was exchanged to a PbSe/PbS nanorod via a Cu2Se/Cu2S structure. During every exchange cycle, the seed size and position within the nanorod were preserved, as evident by excitonic features, Z-contrast imaging, and elemental line-scans. Anionic framework conservation extends the domain of cation exchange to the design of more complex and unique ...

Energy Technology Data Exchange (ETDEWEB)

ABO{sub 3} perovskite-type oxides having vacancies in the A-sites of their structure are interesting candidates for solid electrolytes when their A-sites are occupied by Li{sup +} ions having a high mobility. This is the case with the [Li{sub 3x}La{sub 2/3-x}]TiO{sub 3} solid solution compound which has a 10{sup -3} S cm{sup -1} ionic conductivity at ambient temperature. Electrochemical intercalation in this material is possible thanks to the presence of Ti{sup 4+} but the small amount of vacancies (0.33 maximum) leads to a low intercalation rate. In order to solve this problem, the LiLaNb{sub 2}O{sub 7} material which has a greater amount of vacancies has been studied and the results relative to the electrochemical intercalation of lithium in this perovskite are presented. The thermodynamical and kinetics properties of the lithium intercalation reaction have been studied by intermittent galvano-static discharges and impedance spectroscopy in LiClO{sub 4}-propylene ...

Energy Technology Data Exchange (ETDEWEB)

This patent describes a process for preparing of an ion exchanger, comprising: treating an ionically inert activated charcoal porous support with an aqueous solution of metal oxychloride selected from the group consisting of zirconium and titanium oxychlorides so as to impregnate the pores of the support with the solution; separating the treated support from excess metal oxychloride solution; converting the metal oxychloride to a hydrous metal oxide precipitate in the pores of the support at a pH above 8 and above the pH whereat the hydrous metal oxide and activated charcoal support have opposite zeta potentials and sufficient to hydrolyze the metal oxychloride. It also describes a process for preparing an ion exchanger comprising: treating granulated activated charcoal with a concentrated solution of a metal oxychloride from the group consisting of zirconium and titanium oxychlorides, degassing the mixture; and treating the resultant mixture with a base selected ...

International Nuclear Information System (INIS)

The excitation cross sections by electron impact from the Cd II ground state to the laser upper state 5s_2 _2D/sub 5/2/ (Beutler state) and the laser lower state 5p _2P/sub 3/2/ (resonance state) have been measured by using a crossed-beam method of electrons and Cd"+ ions and a photon-counting method. The electron-energy region investigated was from the threshold energy (5.8 eV) for the excitation of the 5p _2P/sub 3/2/ state to 20 eV. It has been shown that the excitation cross section for the ionic Beutler state 5s_2 _2D/sub 5/2/ is of the order of 10"-_1_5 cm_2 and has a sharp peak near the threshold energy for the excitation. The excitation cross section for the resonance state 5p _2P/sub 3/2/ has also been of the order of 10"-_1_5 cm_2 and has a relatively broad maximum.

Energy Technology Data Exchange (ETDEWEB)

The ion-velocity dependence of the ionization probability for an atom ejected from a surface is examined by using a quantum approach in which the coupled motion between electrons and the outgoing nucleus is followed along the whole trajectory by solving the stationary Schroedinger equation. We choose a very-small-cluster-model system in which the motion of the atom is restricted to one dimension, and with energy potential curves corresponding to the involved channels varying appreciably with the atom position. We found an exponential dependence on the inverse of the asymptotic ion velocity for high emission energies, and a smoother behavior with slight oscillations at low energies. These results are compared with those obtained within a dynamical-trajectory approximation using either a constant velocity equal to the asymptotic ionic value, or expressions for the velocity derived from the eikonal approximation and from the classical limit of the current vector. Both ...

International Nuclear Information System (INIS)

Magnetic particles (MAG*SEP"S"M) coated with various absorbents were evaluated for the separation and recovery of low concentrations of cesium from nuclear waste solutions. The MAG*SEP"S"M particles were coated with (1) clinoptilolite, (2) transylvanian volcanic tuff, (3) resorcinol formaldehyde, and (4) crystalline silico-titanate, and then were contacted with a Hanford supernatant simulant. Particles coated with the crystalline silico-titanate were identified by Bradtec as having the highest capacity for cesium removal under the conditions tested (variation of pH, ionic strength, cesium concentration, and absorbent/solution ratio). The MAG*SEP"S"M particles coated with resorcinol formaldehyde had high distribution ratios values and could also be used to remove cesium from Hanford supernant simulant. Gamma irradiation studies were performed on the MAG*SEP"S"M particles with a gamma dose equivalent to 100 cycles of use. This irradiation decreased the loading ...

Energy Technology Data Exchange (ETDEWEB)

The formation and breakdown of the passive films on stainless steels are mainly controlled by ionic and electronic transport processes. Both these processes are in part controlled by the electronic properties of the oxide film. Consequently, it is vital to gain a detailed perception of the electronic properties of the passive films together with structural and compositional information for a comprehensive understanding of mechanisms behind passivity and localised corrosion. As a step towards this goal the passive films formed on two main austenitic stainless steels AISI 316L and AISI 304L in borate solution were characterised by in situ Raman spectroscopy and photocurrent spectroscopy coupled with electrochemical measurements. This revealed the formation of an Fe-Cr spinel as the dominant constituent in the passive films with more Cr enrichment in the oxide film on 316L than that of 304L. Bandgap readings and semiconductivities of the two stainless steels suggested ...

International Nuclear Information System (INIS)

A series of cation exchange membranes was produced by impregnating and coating both sides of a quartz web with a Nafion solution (1100 EW, 10%wt in water). Inert filler particles (SiO_2, ZrO_2 or TiO_2; 5-20%wt) were incorporated into the aqueous Nafion solution to produce robust, composite membranes. Ion-exchange capacity/equivalent weight, water take-up, thickness change on hydration and ionic and electrical conductivity were measured in 1 mol dm"-"3 sulfuric acid at 298 K. The TiO_2 filler significantly impacted on these properties, producing higher water take-up and increased conductivity. Such membranes may be beneficial for proton exchange membrane (PEM) fuel cell operation at low humidification. The PEM fuel cell performance of the composite membranes containing SiO_2 fillers was examined in a Ballard Mark 5E unit cell. While the use of composite membranes offers a cost reduction, the unit cell performance was reduced, in practice, due to drying of the ...

DEFF Research Database (Denmark)

Polyacrylonitrile (PAN)-based polymer electrolytes have obtained considerable attention due to their fascinating characteristics such as appreciable ionic conductivity at ambient temperatures and mechanical stability. This study is based on the system PAN-ethylene carbonate (EC)-propylene carbonate (PC)-lithium trifluoromethanesulfonate (LiCF3SO3). The composition 15 mol% PAN-42 mol% EC-36 mol% PC-7 mol% LiCF3SO3 has shown a maximum room temperature conductivity of 1.2 x 10(-3) stop S cm(-1) stop. Also, it was possible to make a thin, transparent film out of that composition. Cells of the form, Li/PAN-EC-PC-LiCF3SO3/polypyrrole (PPy)-alkylsulfonate (AS) were investigated using cyclic voltammetry and continuous charge-discharge tests. When cycled at low scan rates, a higher capacity could be obtained and well-defined peaks were present. The appearance of peaks elucidates the fact that redox reactions occur completely. This well proves the reason for higher capacity. ...

Science.gov (United States)

The aim of this study was to observe both the clinical signs and symptoms of wounds at risk of infection, that is critically colonised (biofilm infected) and antimicrobial-performance of an ionic silver alginate/carboxymethylcellulose (SACMC) dressing, in comparison with a non silver calcium alginate fibre (AF) dressing, on chronic venous leg and pressure ulcers. Thirty-six patients with venous or pressure ulcers, considered clinically to be critically colonised (biofilm infected), were randomly chosen to receive either an SACMC dressing or a non silver calcium AF dressing. The efficacy of each wound dressing was evaluated over a 4-week period. The primary study endpoints were prevention of infection and progression to wound healing. The SACMC group showed a statistically significant (P = 0.017) improvement to healing as indicated by a reduction in the surface area of the wound, over the 4-week study period, compared with AF controls. In conclusion, the SACMC ...

Energy Technology Data Exchange (ETDEWEB)

Multiphase flow calculation software and computer-readable media carrying computer executable instructions for calculating liquid and gas phase mass flow rates of high void fraction multiphase flows. The multiphase flow calculation software employs various given, or experimentally determined, parameters in conjunction with a plurality of pressure differentials of a multiphase flow, preferably supplied by a differential pressure flowmeter or the like, to determine liquid and gas phase mass flow rates of the high void fraction multiphase flows. Embodiments of the multiphase flow calculation software are suitable for use in a variety of applications, including real-time management and control of an object system.

International Nuclear Information System (INIS)

Aim: Compounds such "9"9"mTc-MDP and "9"9"mTc-HEDP are used regularly in bone scintigraphy for metastasis detection. The therapeutics properties of beta emitter radionuclides like "1"5"3Sm, "1"6"6Ho and "1"7"7Lu has been widely reported in literature being "1"7"7Lu the less developed for medical applications. With the purpose of study different radiopharmaceuticals alternatives, for metastasis bone palliation, we have evaluated, on a comparative basis, the labeling of "1"5"3Sm-MDP, "1"5"3Sm-HEDP, "1"6"6Ho-MDP, "1"6"6Ho-HEDP, "1"7"7Lu-MDP and "1"7"7Lu-HEDP from the exhibited radionuclidic purity and biological distribution point of view. Material and Methods: The radionuclides were produced at La Reina Research Reactor, Chilean Nuclear Energy Commission. The radionuclidic purity was determined by gamma-Ray spectrometry. The labeling was accomplished with MDP (Plenum) and HEDP synthesized in-house. The in-vitro affinity of labeled compounds to the mineral bone matrix was determined using ...

Energy Technology Data Exchange (ETDEWEB)

The implicit curve-fitting method has been used for fast and stable calculations of thermodynamic properties of subcritical refrigerants, and it has to use the saturated liquid or vapor state as the reference state. In order to extend the application range of this method in supercritical region, an isothermal state in the supercritical region is used as the reference state, and the implicit equations for supercritical refrigerants in this state and out of this state are established, respectively. The new calculation method can be used in the entire supercritical region. With the new method, thermodynamic properties of supercritical CO{sub 2} and R410A are predicted and compared with REFPROP 8. It shows that the total mean relative deviations of the fast calculation formulae from REFPROP 8 are less than 1%, while the mean calculation speeds of the fast calculation formulae are more ...

Energy Technology Data Exchange (ETDEWEB)

Much attention is being paid to electric vehicles from environmental standpoints. One disadvantage of the electric vehicle is that its operative range is short. A means to overcome this difficulty is to use a hybrid battery which consist of a energy battery and a power battery. A method to make it possible to calculate the discharge characteristics of the battery hybrid system taking into account the charging behavior from the energy battery to the power battery is presented. In the proposed method, first the output voltage and the output current of an equivalent battery, which is required for realizing the given operating pattern are calculated. Next, the conduction ratio of the main chopper and the equivalent discharge of electric charge of each battery are calculated. These calculated data are used to calculate the operating range.

UK PubMed Central (United Kingdom)

The rate of appearance of unlabelled glucose was calculated from tracer data and compared with the actual rate of infusion of unlabelled glucose into a anaesthetized dog with all sources of endogenous...Full Text Available

UK PubMed Central (United Kingdom)

Calculations of dose per monitor unit (D∕MU) are required in addition to measurements to increase patient safety in the clinical practice of proton radiotherapy. As in conventional photon and...Full Text Available

UK PubMed Central (United Kingdom)

Numerical calculations of static, switched, and radiofrequency (RF) electromagnetic (EM) fields considering the geometry and EM properties of the human body are used increasingly in MRI to explain...Full Text Available

Science.gov (United States)

Examples are used to demonstrate that a shift in the point of emphasis is necessary with regard to radiation hazard in medicinal X-ray diagnosis. The parameters employed in this study to calculate somatic dose (SD) and somatically significant dose (SSD) m...

Energy Technology Data Exchange (ETDEWEB)

Calculations of refrigerant thermal properties are desired to be very fast and stable in cases of simulation of refrigeration system, etc. The traditional method based on equation of state cannot meet such requirement because of unavoidable iterations in calculation. In this paper, a new calculation method for refrigerant thermal properties is presented. Low order implicit polynomial equations are got by using curve-fitting method at first, and then explicit formulae for calculating refrigerant thermal properties quickly are obtained by getting the analytical solution of these implicit equations. Explicit fast calculation formulae for thermal properties of R22 and R407C, covering the saturated temperature of -60{approx}80 {sup o}C and superheat of 0-65 {sup o}C, are presented as examples. The calculation speeds of the formulae of R22 are about 140 times faster ...

UK PubMed Central (United Kingdom)

ObjectiveCompare occlusal contacts calculated from 3D virtual models created from clinical records to contacts identified clinically using shimstock and transillumination.Full Text Available

Energy Technology Data Exchange (ETDEWEB)

The wave function of the Bianchi type-IX universe with small anisotropy is calculated using the Hartle-Hawking prescription.

Energy Technology Data Exchange (ETDEWEB)

The effects of various approximations used in performing augmented-plane-wave calculations were studied for elements of the fifth and sixth columns of the Periodic Table, namely V, Nb, Ta, Cr, Mo, and W. Two kinds of approximations have been checked: (i) variation of the number of k points used to iterate to self-consistency, and (ii) approximations for the treatment of the core states. In addition a comparison between relativistic and nonrelativistic calculations is made, and an approximate method of calculating the spin-orbit splitting is given.

Energy Technology Data Exchange (ETDEWEB)

Different calculated models are presented for turbulent break-off flows and their classification, reflecting the sequence of historical development. The study was done based on equations of viscous liquid of the Navier-Stokes type with development of special phenomenological models of turbulence which take into consideration real properties of the break-off flows based on simpler models of flow presented in the work. In order to calculate two-dimensional turbulent flows, a method of viscous-nonviscous interaction is used. It employs numerical solutions for nonviscous flow and integrated methods of calculating the dissipative region. This method can be extended for calculating the transonic break-off flows, and also break-off in an incompressible fluid when there is cavitation.

Science.gov (United States)

... elements of the parameter covariance matrix computed from the partial derivative matrix and Vpqrs(',I). We also calculate ...

Science.gov (United States)

The results of a study conducted by Working Group 10 of the AGARD Fluid Dynamics Panel to investigate the limits of boundary layer methods, both the integral and field type formulations, for calculating three-dimensional turbulent separated flow are presented. Test cases used to assess the boundary layer calculations included the DFLVR prolate spheroid at angle of attack and the NASA-Ames Wing C. Comparisons between boundary layer calculations and experimental data are presented for these test cases along with observations, conclusions, and recommendations.

International Nuclear Information System (INIS)

... computer calculations fftf reactor nonlinear problems reactor accidents reactor

International Nuclear Information System (INIS)

... angular momentum cranking model even-even nuclei gadolinium 156 governor

Energy Technology Data Exchange (ETDEWEB)

MINEQL is a subroutine package to calculate equilibrium composition of an aqueous system, accounting for mass transfer.

Science.gov (United States)

... The ultimate compressive strength was measured, and values for Young's modulus were calculated from the linear portion of the test curve. ...

Energy Technology Data Exchange (ETDEWEB)

We provide two examples to illustrate how electronic structure calculations contribute to our understanding of vacancies and their role in determining material properties. Diffusion and elctromigration in aluminium are known to depend strongly on vacancies. Electronic structure calculations show that the vacancy-impurity interaction oscillates with distance, and this leads to an explanation for both the increased elctromigration resistance and the slow impurity diffusion for copper in aluminium. Calculations of vacancies in plutonium have been used in conjunction with positron annihilation lifetime measurements to identify the presence of helium-filled vacanies. Helium stabilization of vacancies can provide the precursors for subsequent vacancy-related changes in materials properties.

Energy Technology Data Exchange (ETDEWEB)

The linear integral equation based computer code (RON: Roger Oleg Nikolai), which was recently developed at Argonne National Laboratory, was used to calculate the self-amplified spontaneous emission (SASE) performance of the free-electron laser (FEL) being built at Argonne. Signal growth calculations under different conditions are used for estimating tolerances of actual design parameters. The radiation characteristics are discussed, and calculations using an ideal undulator magnetic field and a real measured magnetic field will be compared and discussed.

International Nuclear Information System (INIS)

This handbook breaks down the complex field of nuclear reactor calculations into major steps. Each step presents a detailed analysis of the problems to be solved, the parameters involved, and the elaborate computer programs developed to perform the calculations. This book bridges the gap between nuclear reactor theory and the implementation of that theory, including the problems to be encountered and the level of confidence that should be given to the methods described. Volume II: Monte Carlo Calculations for Nuclear Reactors. In-Core Management of Four Reactor Types. In-Core Management in CANDU-PHW Reactors. Reactor Dynamics. The Theory of Neutron Leakage in Reactor Lattices. Index.

Energy Technology Data Exchange (ETDEWEB)

Monte Carlo methods have been used to compute k{sub eff} and the fundamental mode eigenfunction of critical systems since the 1950s. While such calculations have become routine using standard codes such as MCNP and SCALE/KENO, there still remain 3 concerns that must be addressed to perform calculations correctly: convergence of k{sub eff} and the fission distribution, bias in k{sub eff} and tally results, and bias in statistics on tally results. This paper provides a review of the fundamental problems inherent in Monte Carlo criticality calculations. To provide guidance to practitioners, suggested best practices for avoiding these problems are discussed and illustrated by examples.

Energy Technology Data Exchange (ETDEWEB)

The results of an investigation of the effects of several parameters on the reactivity instability of a Boiling Water Reactor (BWR) calculational model are summarized. Calculations were performed for a typical BWR operated at low flow conditions, where reactivity instabilities are more likely to occur. The parameters investigated include the axial power shape (characterized by two separate parameters), the core pressure, and operating flow. All calculations were performed using the LAPUR code which was developed at the Oak Ridge National Laboratory for the dynamic modeling of large BWR's. 4 refs., 8 figs.

Energy Technology Data Exchange (ETDEWEB)

Equations are derived to permit calculation of the work required for the isentropic compression of a two phase fuel-air mixture. Methanol evaporation during compression is shown to substantially reduce compression work and thereby improve cycle efficiency and maximum power. Effects of evaporative cooling in the intake manifold are calculated. 14 refs.

International Nuclear Information System (INIS)

The approach estimating the leak probability of flanged joint due to the destruction of fastening studs is described. The mentioned approach consists of two stages. The probability of destroying one stud is calculated at the first stage, and the probability of different combination interpositions of intact and destroyed studs is calculated at the second one. The probability calculation of leak in the area of collector cover of steam generator PGV-1000 is used as an example of developed approach

International Nuclear Information System (INIS)

A cell calculation code SLAROM-UF was developed to improve calculation accuracy of effective cross sections for various fast reactor types. SLAROM-UF has a capability to calculate effective cross sections in ultra fine groups of about 100,000 below 50keV and in fine groups above the energy (maximum 900 groups). Resonance interaction among the fuel, the coolant, and the structure materials can be treated accurately even in a heterogeneous cell structure. Temperature can be set up freely in a cell by the ultra fine group calculation. Improvement in nuclear characteristics was observed in the analysis of JUPITER critical experiment, as 0.1% for criticality, 4% for sodium void reactivity, several % for radial reaction rate distribution, when SLAROM-UF was used instead of the typical cell calculation code. The effect of the ultra fine group calculation is remarkable ...

International Nuclear Information System (INIS)

Monte Carlo calculations performed to validate observed capture reaction rates of "1"2"9I and "2"3"7Np were in a reasonable agreement with experimental data obtained by the Joint Institute for Nuclear Research. The most significant discrepancy between the measurements and calculations (within a factor of 3) was observed for the NpO_2 sample and Pb target at 3.7 GeV proton energy

Energy Technology Data Exchange (ETDEWEB)

The calculations with the broad-group cross-section library Bugle-96, and atom displacement (dpa) cross sections for iron, both derived from ENDF/B-VI data, result in higher calculated fast neutron fluxes, better agreement of calculations with radiometric dosimeter measurements, and significantly slower dpa rate attenuation through pressure vessel walls relative to the results with their predecessors: the Sailor library and ASTM iron dpa cross sections.

International Nuclear Information System (INIS)

Li shell-model calculation has been made in the isospin formalism in the complete (0 + n)#Planck constant##omega# model space with the assumption of a closed core "4He. The calculation could probably be improved by use of a better effective interaction and increasing shell model space. With the use of faster computer with large memories, the authors are in hope of calculation in spsd shell-model space

International Nuclear Information System (INIS)

Cross sections for elastic scattering of 12 GeV protons from "4"0Ca nuclei have been calculated using the flucton model. The influence of the collective flucton nucleon correlations on the calculated cross sections is examined. The calculated cross sections are in significant disagreement with the experimental data. This may be considered as an argument against the flucton model. (orig.).

International Nuclear Information System (INIS)

A possibility of short-lived isotopes production in inter-tank section between the first and the second drift tube tanks (20.45 MeV) in INR linac is considered. At the initial stage the main efforts are concentrated on production of fluorine-18 used for positron emission tomography. The results of beam forming calculations, target heating calculations, equipment activation calculations as well as installation configuration and design are presented.

International Nuclear Information System (INIS)

Calculations of the Compton profiles for the transition metals Ta and W are performed, using electron wave functions obtained from self-consistent augmented plane wave (APW) band structure calculations within the local density formalism of Hedin-Lundqvist. Relativistic effects are included except for the spin-orbit interaction. The observed structures of the Compton profiles in these metals are understood in terms of the topology of their Fermi surfaces. (author).

Science.gov (United States)

A numerical method for the calculation of unsteady, inviscid turbomachine flow in the transonic velocity range is described. The calculation of complete stages is possible. If the flow layer geometry is given, the flow field can be determined by independe...

Energy Technology Data Exchange (ETDEWEB)

This program is designed in order to calculate electricity generation cost by different energy sources, and menu type is adopted for user convenience. This program also graphically shows the share of capital investment cost, O and M cost, and fuel cost. Sensitivity analysis about discount rate can also be carried out by this program, taking into consideration the important role of the discount rate in the generation costs calculation. (Author) 7 refs., 1 fig., 3 tabs.

International Nuclear Information System (INIS)

The implementation of the convolution/superposition method in real dose planning situations is considered. The modelling of photon spectra, the use of patient and treatment setup information, and the calculation of the photon energy released in a patient are detailed. A comparison is made between the approaches of calculating the relative dose directly and using a factor derived from measurements to correct the calculated relative dose. 13 refs.; 7 figs.

Energy Technology Data Exchange (ETDEWEB)

Analyses of pressure vessel damage resulting from neutron irradiation have primarily relied on two-dimensional transport calculations and a spatial-synthesis methodology to accommodate three-dimensional effects in the results of two two-dimensional calculations. In this paper, the authors report on calculations made on the Pool Critical Assembly (PCA) Benchmark, Configuration 12/13, using the three-dimensional, continuous energy Monte Carlo transport code, MCNP, and the three-dimensional, multigroup, diffusion accelerated discrete ordinates transport code THREEDANT. Neutron fluxes and activation rates as determined from these two calculations are compared to each other and to experimental results in the literature. The authors also draw some conclusions on the value of 3D calculations on the interpretation of experimental results.

Energy Technology Data Exchange (ETDEWEB)

The ventilation requirements for decontamination are normally determined with a static calculation method. In some cases, the pollutant emission is intermittent, for example in the car park of an office building, where all the cars enter and leave the place nearly at the same time. Generally, in such a case, the volume of the garage is large, consequently the time constant of the system has a high value. So a static approach would no longer stay accurate and a dynamic evaluation is needed. With the help of some assumptions, calculations remain rather simple and results can be plotted on nomographs or computed on a programmable handheld calculator. The amount of energy saved may appear very large in some cases. A sizing optimization will be required but also remains easy to compute. The paper presents the method of calculation for a single ventilation level and the optimization of a two-level ...

Energy Technology Data Exchange (ETDEWEB)

Several proposals have been made on the method of calculating generation of formaldehyde released from plywood. In calculating generation per hour of a volatile organic compound of adhesives or coatings using a chamber method, such models are frequently used that the generation is largest when the specimen is exposed in the chamber and that the generation attenuates with lapse of time. In the meantime, a number of studies for calculating formaldehyde generation from construction materials are often those determining a specific quantity of generation in a stationary state, while few studies are the observation of time series variation from immediately after the exposure into the chamber. Accordingly, the subject studies used lauan plywood as the samples and examined the method of calculating the change with lapse of time of the formaldehyde generation. (translated by NEDO)

Energy Technology Data Exchange (ETDEWEB)

Neutron and gamma ray energy spectra were measured using an NE-213 scintillator at depths of 7.2, 15.2, and 22.2 cm in a tissue-equivalent phantom which was uniformly irradiated on one face by deuterium--tritium (DT) neutrons. Coupled neutron--gamma ray multigroup discrete-ordinates calculations were performed using semi-infinite slab geometry. These calculations were used to supplement the measured spectra below 1 MeV. Similar calculations were performed to study the perturbation in the phantom due to the detector. The measured and calculated spectra were used to determine the kerma distributions for neutrons and gamma rays at each location. The gamma radiation was determined to contribute more than 10% of the total dose at each depth. The calculated kerma also reveals that a knowledge of the gamma ray spectra below 1 MeV is desirable. Key words: neutron--gamma spectra, ...

Energy Technology Data Exchange (ETDEWEB)

An updated TRAC 80% large-break loss-of-coolant accident (LBLOCA) has been calculated for the Westinghouse AP600 advanced reactor design, The updated calculation incorporates major code error corrections, model corrections, and plant design changes. The 80% break size was calculated by Westinghouse to be the most severe large-break size for the AP600 design. The LBLOCA transient was calculated to 144 s. Peak cladding temperatures (PCTS) were well below the Appendix K limit of 1,478 K (2,200 F), but very near the cladding oxidation temperature of 1,200 K (1,700 F). Transient event times and PCT for the TRAC calculation were in reasonable agreement with those calculated by Westinghouse using their {und W}COBRA/TRAC code. However, there were significant differences in the detailed phenomena calculated by the two codes, particularly during the ...

Energy Technology Data Exchange (ETDEWEB)

The overall aim is to develope programme modules for a Danish integrated computer system for projecting buildings and to ensure that Danish programmes are compatible with international systems. The programmes to be integrated here were AutoCAD and SCRIBE-models and the simulation programme tsbi3 for the calculation of indoor climate conditions, power demand and energy consumption in buildings. For the calculation of humidity and temperature conditions in constructions a certain amount of integration is carried out with the MATCH programme (Moisture And Temperature calculations for Constructions of Hygroscopic materials). The activities embodied in the pilot projects are described in this working report in addition to the individual computer programmes and prototypes, and examples and diagrams are presented. The programmes included are a geometry programme for the calculation of areas, lengths and ...

International Nuclear Information System (INIS)

24 isotopes of astatine element 85, are known today, three of which occur naturally as decay products of "2"1"5U and "2"5"8U, respectively. Because these isotopes being very short-lived, all experiments dealing with this heaviest element of the halogen group need be done with "2"0"9"-"2"1"1At, having half-lifes in the several hours region. Mixtures of them may be obtained either by #alpha#-bombardment (E#alpha# approximately 30-50 MeV) of "2"0"9Bi or as spallation products by the reaction of high-energy protons with thorium and uranium targets. - In its chemical reactions astatine shows a behaviour which is between an halogen and a metal. The following oxidation states have been shown to exist: -1, 0, +1, +5 and +7. At"-, AtO_2"- and AtO_4"- are the ionic species for At(-I), At(+V) and At(+VII) whereas no definite species have been established for the other oxidation states. Furthermore, At_2 could not be shown to exist as yet in contrast to several interhalogen ...

International Nuclear Information System (INIS)

One set of hypotheses offered to explain the decline of red spruce (Picea rubens Sarg.) in eastern North America focuses on the effect of acidic deposition on soil chemistry changes that may affect nutrient availability and root function. Long-term soils data suggests that soil acidification has occurred in some spruce stands over the past 50 yr, with plant uptake and cation leaching both contributing to the loss of cations. Studies of tree ring chemistry also have indicated changes in Ca/Al and Mg/Al ratios in red spruce wood, suggesting increases in the ionic strength of soil solution. Irrigation studies using strong acid inputs have demonstrated accelerated displacement of base cations from upper horizons. Spruce-fir (Abies spp.) nutrient budgets indicate that current net Ca and Mg leaching loss rates are of the same order of magnitude as losses to whole tree harvest removals, spread out over a 50-yr rotation. For most cations, red spruce foliar nutrient levels ...

Energy Technology Data Exchange (ETDEWEB)

Cyclic voltammograms of SUS 304 stainless steel in various neutral solutions such as Na/sub 2/SO/sub 4/ at high temperature were measured, as a successive study to previous report in which effects of temperature and pH on polarization behavior of stainless steel were studied. In this measurement Ag/AgCl reference electrode and platinum counter electrode were used in a static autoclave lined with inconel. Passive films formed in various conditions were analysed by electron diffraction and Auger spectroscopy. Results obtained were compared with anodic behavior of iron, chromium and nickel and with thermodynamical stabilities of their compounds. The main results are summarized as follows. (1) Stainless steel shows such electrochemical behavior as active dissolution, passivation and transpassivation in a deaerated neutral solution at 250/sup 0/C after fully reductive treatment of the specimen. In air-saturated solution, the peak of active dissolution is not observed. In the passive range ...

Energy Technology Data Exchange (ETDEWEB)

Experiments are reported in which a methane plasma is created, and the methyl ions and hydrogen ions are accelerated within a microchannel array so that they interact with neutral methane molecules on the inside surfaces of the microchannels. No catalysts are used, and the device operates at room temperature. Impact energies of the ions are in the range of 10 eV to greater than 100 eV, and the energy delivered in the interaction at the surfaces causes the production of larger hydrocarbon molecules, such as C{sub 2}H{sub 2}, C{sub 2}H{sub 4}, and C{sub 2}H{sub 6}, along with C{sub 3}, C{sub 4}, C{sub 5}m C{sub 6}, C{sub 7}m and C{sub 8} molecules. There is a decreasing percentage of larger molecules produced, in comparison with the C{sub 2} and C{sub 3} types. Conversion effectiveness is greater at higher pressure, due to the increased ionic activity. The yield of the higher hydrocarbons depends upon the external voltage used, and voltage can be used as a control ...

Energy Technology Data Exchange (ETDEWEB)

V{sub 2}O{sub 5} based compounds are interesting low potential materials for rechargeable cathodes of lithium electrochemical generators. However, the ionic conductivity and the reversibility of electrochemical cycling of V{sub 2}O{sub 5} are limited by the possibilities of lithium insertion. This work shows that the doping of vanadium pentoxide by a M{sup 3+} trivalent transition element (M Fe, Al, Cr or La) allows to intercalate a more important amount of lithium and to improve the behaviour of the material during cycling. These materials of M{sub 0.11}V{sub 2}O{sub 5.16} formula are obtained by sol-gel synthesis. the electrochemical study of the Fe compound has shown that it is a mixed oxide with a behaviour similar to V{sub 2}O{sub 5}. The maximum capacity is of about 2 F/mole in the case of Fe, Al and Cr compounds and of about 1.7 F/mole in the case of La. The structural evolution of the Fe compound has been followed during the chemical insertion of Li and the ...

International Nuclear Information System (INIS)

The large degree of confusion and many contradictions which are evident in the literature regarding the dioxo-uranium(VI)-hydroxide system has prompted the re-investigation of the hydrolysis of UO_2"2"- in aqueous media. The hydrolysis reactions of the uranyl ion have been investigated by potentiometric (pH)-, spectrophotometric- and conductometric titrations of uranyl chloride solutions with sodium hydroxide solutions. In all these titrations two clearly defined endpoints were obtained, indicating the predominance in solution of only a limited number of species. From a consideration of all the experimentally obtained data the following set of species was proposed to be present in significant concentrations in the pH range 0 to 12: UO_2"2"-, (UO_2)_2(OH)_2"2"-, (UO_2)_2(OH)_3"- and (UO_2)_9(OH)_1_9"-. By using the proposed set of species, a mathematical model of the uranyl-hydroxo system was developed with which the titration curves obtained by all three techniques could succesfully be ...

International Nuclear Information System (INIS)

Sodium-ion-conducting glasses are considered a promising alternative to the ceramic electrolytes. The glass upon which the most development work has been done is a sodium borate glass, which has an ionic resistivity of about 2 x 10/sup 4/ #OMEGA#-cm at 300"0C. Because of its high resistivity, cells using this borate glass require thousands of hollow glass fibers, each about 80 micrometers outer diameter (15 micrometer wall). In spite of its greater complexity, the cell with the glass electrolyte is of interest because of its potential for lower cost and higher power than the cell with ceramic electrolyte. Recently, silicate glasses of lower resistivity have been proposed for this application. These include: a soda-alumina-silica glass (900 #OMEGA#-cm at 300"0C), a soda-zirconia-magnesia-silica glass (700 #OMEGA#-cm at 300"0C), and a soda-zirconia-silica glass (600 #OMEGA#-cm at 300"0C). These lower resistivity glasses would allow a reduction in the number of tubes ...

Energy Technology Data Exchange (ETDEWEB)

Nowadays there is a growing interest in the study of natural radioactivity levels, mainly of radionuclides; {sup 238}U, {sup 226}Ra, {sup 232}Th, {sup 40}K, and {sup 210}Pb present in the environment. The environmental radioactivity control is very important to obtain information on exposure of humans and vegetables to potential sources on natural radioactive occurrences. Industrial processes involving mining and extraction and production of oil foster concentration of radionuclides, contributing to the occurrence of what is known as 'TENORM' - Technologically Enhanced Naturally Occurring Radioactive Material. This work aims to assess the environmental radiological impact on the estuarine area of the Industrial Park of SUAPE, due the installation of an oil refinery and the consequent introduction on the environment of natural radioactive materials from other regions in that area. The radioisotopes {sup 238}U, {sup 226}Ra, {sup 232}Th , {sup 40}K and {sup 210}Pb were ...

Energy Technology Data Exchange (ETDEWEB)

A large part of mechanical and durability characteristics of cement-based materials comes from the performances of the hydrated cement, cohesive matrix surrounding the granular skeleton. Experimental studies, in situ or in laboratory, associated to models, have notably enhanced knowledge on the cement material and led to adapted formulations to specific applications or particularly aggressive environments. Nevertheless, these models, developed for precise cases, do not permit to specifically conclude for other experimental conclusions. To extend its applicability domain, we propose a new evolutive approach, based on reactive transport expressed at the microstructure scale of the cement. In a general point of view, the evolution of the solid compounds of the cement matrix, by dissolutions or precipitations, during chemical aggressions can be related to the pore solution evolution, and this one relied to the ionic exchanges with the external environment. By the ...

Energy Technology Data Exchange (ETDEWEB)

A solid electrolyte for lithium batteries requires several properties: a good ionic conductivity of about 10{sup -3} S/cm at 298 deg. K, a high cationic transport number (greater than 0.5), a redox stability window higher than 4.5 V, a good stability of the interface with the lithium electrode, and a sufficient mechanical stability. The family of gelled or hybrid electrolytes seems to meet all these requirements. Thus, a systematic study of the gelling of an ethylene carbonate and lithium bistrifluorosulfonimide (LiTFSI) based electrolyte has been carried out. The polymers used for gel or pseudo-gel synthesis are POE, PMMA and PAN which represent 3 different cases of interaction with the electrolyte. All the properties mentioned above have been studied according to the nature of the polymer and to the concentration of lithium salt, showing the advantages and drawbacks of each polymer. The possibility of using some of these gels in lithium-ion batteries has been ...

International Nuclear Information System (INIS)

Benzene molecules , present in the proto-planetary nebula CRL 618, are ionized and dissociated by ultraviolet (UV) and X-ray photons originated from the hot central star and by its fast wind. Ionic species and free radicals produced by these processes can lead to the formation of new organic molecules. The aim of this work is to study the photoionization and photodissociation processes of the benzene molecule, using synchrotron radiation and time-of-flight mass spectrometry. Mass spectra were recorded at different energies corresponding to the vacuum UV (21.21 eV) and soft X-ray (282-310 eV) spectral regions. The production of ions from the benzene dissociative photoionization is here quantified, indicating that C_6H_6 is more efficiently fragmented by soft X-ray than UV radiation, where 50% of the ionized benzene molecules survive to UV dissociation while only about 4% resist to C-rays. Partial ion yields of H and small hydrocarbons, such as C_2H_2"+, C_3H_3"+, ...

International Nuclear Information System (INIS)

We calculated the energies of asymmetric nuclear matter at zero and finite temperatures with the cluster variational method. At zero temperature, the expectation value of the two-body Hamiltonian composed of the kinetic energies and the AV18 two-body forces is calculated with the Jastrow wave function in the two-body cluster approximation. The obtained two-body energy is in good agreement with the result with the Fermi Hypernetted Chain (FHNC) calculation by Akmal et al. The energy caused by the UIX three-body forces is treated somewhat phenomenologically so that the total energy reproduces the empirical saturation point. Furthermore, the parameters included in the three-body energy are readjusted so that the Thomas-Fermi (TF) calculations with use of the obtained energy of nuclear matter reproduce the gross feature of the experimental data on atomic nuclei. The nuclear species in the neutron star crust ...

International Nuclear Information System (INIS)

A scalar-relativistic procedure for calculating the valence-electron contribution to the total energy of bulk and thin-film solids has been developed and applied to the fcc and bcc phases of the group-VIB transition elements Cr, Mo, and W. This approach, which is based on the linear augmented-plane-wave method and local-density-functional theory, contains no shape approximations for either the charge density or potential. The formulation adopts a rigid-core approximation and incorporates an exact treatment of the core-charge tails that extend beyond the muffin-tin spheres. The application of this procedure to bcc Cr, Mo, and W yields calculated lattice parameters and bulk moduli that are in good (Cr) to excellent (Mo and W) agreement with experiment. The present calculated properties also agree quite well with the results of previous calculations involving a variety of band-structure methods. The ...

International Nuclear Information System (INIS)

This regulatory guide describes methods acceptable to the NRC staff for calculating radon fluxes through earthen covers and for calculating the resulting minimum cover thickness needed to meet NRC and EPA standards. The guide also suggests methods for obtaining the various parameters used in calculating the radon fluxes and earthen cover thicknesses and suggests default values for certain parameters. This regulatory guide is applicable to active uranium tailings sites. The NRC staff is using the methods stated in this guide as a basis for review and concurrence of DOE remedial action plans for inactive sites. The guidance is intended to be used for calculating radon flux attenuation by earthen uranium mill tailings covers. The parameter values and examples presented are limited to earthen cover materials, but the diffusion theory and the methods presented are also applicable to man-made materials. ...

International Nuclear Information System (INIS)

Accurate dose calculation in radiation treatment planning is most important for successful treatment. Since human body is composed of various materials and not an ideal shape, it is not easy to calculate the accurate effective dose in the patients. Many methods have been proposed to solve inhomogeneity and surface contour problems. Monte Carlo simulations are regarded as the most accurate method, but it is not appropriate for routine planning because it takes so much time. Pencil beam kernel based convolution/superposition methods were also proposed to correct those effects. Nowadays, many commercial treatment planning systems have adopted this algorithm as a dose calculation engine. The purpose of this study is to verify the accuracy of the dose calculated from pencil beam kernel based treatment planning system comparing to Monte Carlo simulations and measurements especially in inhomogeneous region. ...

International Nuclear Information System (INIS)

Based on the generalized gradient approximation (GGA) of density functional theory (DFT) and the full-potential linearized augmented plane wave (FLAPW) at the level including all electrons, the lattice parameters of graphite are calculated and optimized. Some elastic wave velocities transmitted in graphite are deduced. Using the methods of elastic wave velocity method and the atomic displacement method, the Debye frequency of graphite is obtained. The standard heat capacity, entropy, sublimation enthalpy of graphite is deduced at 289.5 k and 1 atm. The calculated results are discussed and compared with experimental data. (authors)

Energy Technology Data Exchange (ETDEWEB)

All sections of the third edition of this well-known textbook have been revised and enlarged in consequence of the change-over to SI units. Numerous examples and illustrations have been included or replaced by new ones. The book considers the latest research results as well as the constructive developments of industrial steam turbine construction. On a scientific basis, this plain book imparts basic knowledge of the design, calculation, execution, condensation and performance in service of steam turbines of all types. The well-founded introduction, together with many calculated examples addresses the student as well as the engineer.

Energy Technology Data Exchange (ETDEWEB)

Nuclear reaction cross-sections for stable strontium and cesium isotopes, which were calculated by different approaches, are compared to available experimental data. Neutron and proton induced reaction cross-sections for the long-lived radionuclides [sup 90]Sr and [sup 137]Cs have been calculated in the energy range from 1 MeV to 10 GeV. Recommendations concerning cross-section calculations for strontium and cesium isotopes at intermediate and high energies are given. (orig.)

International Nuclear Information System (INIS)

The global effect of activation cross-section uncertainties on calculated radiological quantities is investigated for the first time using a methodology based on Monte Carlo random sampling. The method is applied to the calculation of the uncertainty in the contact dose rate from the gunite shielding of the National Ignition Facility chamber after 30 yr of pulsed irradiation. Some critical cross section contributing significantly to the overall uncertainty are identified. By a reasonable reduction of the uncertainty in those cross sections, the accuracy in the calculated total contact dose rate is greatly improved.

International Nuclear Information System (INIS)

Local-density-approximation calculations of the H-point phonon frequency of molybdenum were carried out using a new superlinearized augmented-plane-wave basis. The calculated frequency is in quite good agreement with experiment. This indicates that the effect of the many-body renormalization of the electronic states near the Fermi energy on this frequency is smaller than previously suggested. The superlinearized basis and its use to circumvent computational difficulties associated with extended semicore states such as the 4p state of molybdenum is described.

International Nuclear Information System (INIS)

A calculation method of the X-ray radiation dose (energy of gamma- radiation remains in the range of energies where the mechanism of photoelectric absorption is the prevailing one) absorbed in the absorbers of final thickness is suggested. Calculations of resorption of secondary radiation (characteristic fluorescences) in the substance and kinetic energy of photoelectrons caused by this resorption (it would be enough to consider one or two hard series) are presented. Calculation of the spectrum of photoelectron energy yield in TeInSe_2 monocrystal for 0.1-0.5 A range of X-ray radiation is conducted by the developed methods.

Energy Technology Data Exchange (ETDEWEB)

Self-consistent electronic structure calculations have been performed on two compositions of scandium sulfide ScS and Sc/sub 3/S/sub 4/. The results of the calculation of ScS are similar to those obtained for other transition metal chalcogenides and are in excellent agreement with heat capacity and reflectance measurements as well as UPS experiments. The calculation of the defect structure indicates the creation of sulfur p nonbonding states in metal-deficient ScS. The valency of the metal ions remains unchanged upon the creation of vacancies.

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Cross sections for the elastic and inelastic scattering of /sup 16/O on /sup 58/Ni, /sup 88/Sr, /sup 40/Ca, and /sup 48/Ca have been calculated in a coupled-channels treatment, including the low-lying 2/sup +/ and 3/sup /minus// states of both projectile and target. Real, energy-independent ion-ion potentials and form factors were used, and fusion was simulated by ingoing wave boundary conditions in all channels. The agreement with the measured scattering data is qualitatively as good as obtained in previous optical-model calculations.

Energy Technology Data Exchange (ETDEWEB)

Angular distributions for the elastic and inelastic scattering of /sup 12/C at 80 MeV by /sup 88/Sr and of /sup 7/Li at 36, 42 and 48 MeV by /sup 54/Fe have been analysed. The optical potentials of /sup 12/C and /sup 7/Li ions are calculated in terms of the alpha-particle and triton optical potentials. Coupled-channels calculations using these potentials are performed. Good fits to the experimental data and the phenomenological calculations are obtained for /sup 12/C projectiles.

Energy Technology Data Exchange (ETDEWEB)

A simplified relativistic configuration interaction method is used to study the dielectronic satellite transition processes. In this method, the infinite resonant doubly excited states can be calculated, and furthermore, the whole high-n dielectronic satellite transition processes can be treated conveniently by interpolation (rather than extrapolation) in the frame of quantum defect theory. As an example, we calculate the contributions from high-n dielectronic satellites to the K{alpha} resonance line in helium-like iron, and the results are in good agreement with the experimental measurements. (orig.) 39 refs.

Energy Technology Data Exchange (ETDEWEB)

This study is targeted to the NLO corrections of multileg processes, very important for the LHC. Starting from the construction of Feynman diagrams, the analytical reduction of general one-loop integrals to scalar master ones, the calculation of color structures, manipulation of spinor lines and other amplitude constituents and finally phase space point selection are obtained by use of a program producing Fortran code for numerical calculation of one-loop corrections for processes like gg{yields}t anti tgg. (orig.)

International Nuclear Information System (INIS)

A simple method allowing easy calculation of the spatial damage energy distributions for ion-implanted materials is presented. The direct procedure takes account of the variation with depth of the lateral spreading of implanted ions, as well as the effects of energy transport by the recoiling target atoms. The subsequent computer program LUPIN-3D provides three-dimensional damage distributions and allows the construction of damage energy mappings. Various substrates of technological interest are investigated and several fields of application of the calculation are envisaged. The density of cascades can therefore be determined and heterogeneous amorphization models can be implemented. (orig.).

International Nuclear Information System (INIS)

The energy-versus-volume curve of the spin-density wave (SDW) in body-centred-cubic Cr is calculated with the density functional theory/full-potential linearized augmented plane wave (DFT/FLAPW) method using the generalized gradient approximation (GGA). The predicted ground state is not the SDW, in contrast to an earlier FLAPW calculation. A conjecture is formulated that the widely varying results of the local density approximation (LDA) and GGA - and of different solution methods - can be scaled by the size of the calculated moment. As a consequence, experimentally relevant properties of the SDW can be calculated by tuning the moment. The implications of these results for the ability of DFT to describe Cr are discussed. (author)

CERN Document Server

Using the complex Kohn method, we have calculated variational values of phase shifts and the annihilation parameter, Z_{eff}, for the elastic scattering of positrons by molecular hydrogen. Our results are sensitive to small changes in the accuracy of the wave function representing the target hydrogen molecule. We have developed a systematic approach to demonstrate that, at low positron energies, there are particular forms of the Kohn trial wave function for which the results of variational calculations are not reliable, even when the target wave function accounts for as much as 96.8% of the correlation energy of H_{2}. We find that reliable results can be recovered if our calculations are extended to admit more sophisticated target wave functions accounting for 99.7% of the correlation energy. Remaining discrepancies between theory and experiment are briefly discussed.

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We argue that the tachyons which exist in some string models are a signal of deconfinement. We compare the deconfinement temperature obtained from Monte Carlo calculations with some string models. (orig.).

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The performance of five well-known photosynthesis-light equations is compared by presenting a wide range of solutions in the form of dimensionless nomographs for the case where photosynthetically available radiation (PAR) reduces exponentially down the water column and is distributed sinusoidally through the photoperiod. These provide a simple means of calculating daily photosynthesis at any depth (e.g. at a benthic layer), or through a water column, avoiding the need to perform complex integrations. An examination is made of the accuracy of common approximate methods for calculating daily photosynthesis, assuming constant PAR. For optically deep water a modification is proposed to Talling's planimetric solution, to enable daily photosynthesis to be calculated more accurately, yet simply, over the whole range of possible PAR values. The errors induced by approximating the daily PAR distribution as a half-sinusoid ...

International Nuclear Information System (INIS)

The aim of the safety calculation is to quantify through numerical modelling the radiological impact (molar flow, human dose) of a potential repository for radioactive waste on the Meuse/Haute Marne site at Bure. A selection process is underway for safety scenarios and their phenomenological and numerical conceptual models upstream from the safety calculation. This involves defining and quantifying the geometric and dimensional representations of the repository for each scenario plus the physical, mathematical and numerical models that reflect its behaviour and the uncertainties associated with all the parameters required to quantify the impact. A summary will be given of these various aspects. The numerical simulations are then performed on the Alliances platform which integrates the various computer codes required for the physical representation of the system. (authors)

Science.gov (United States)

The workshop topics consist of FERS, FEGLI, FEHBP, Disability, Deposit/Redeposit ; TSP, Annual/Sick Leave, Annuity Calculation, Best Date to Retire, COLA's, ...