International Nuclear Information System (INIS)

A computerised curve-fitting method was developed to calculate the trapping parameters in LiF TLD-100 and LiF:Mg, Ti. After irradiation in a "6"0Co field and with X rays emitted at different voltages the TL process is best described by first-order kinetics. A dependence of the trapping parameters on both the concentration of Mg and Ti and photon energy was detected. (author).

Energy Technology Data Exchange (ETDEWEB)

This study focused on the biosorption of total chromium onto red algae (Ceramium virgatum) biomass from aqueous solution. Experimental parameters affecting biosorption process such as pH, contact time, biomass dosage and temperature were studied. Langmuir, Freundlich and Dubinin-Radushkevich (D-R) models were applied to describe the biosorption isotherms. Langmuir model fitted the equilibrium data better than the Freundlich isotherm. The biosorption capacity of C. virgatum biomass for total chromium was found to be 26.5 mg/g at pH 1.5 and 10 g/L biomass dosage, 90 min equilibrium time and 20 deg. C. From the D-R isotherm model, the mean free energy was calculated as 9.7 kJ/mol, indicating that the biosorption of total chromium was taken place by chemisorption. The calculated thermodynamic parameters ({delta}G{sup o}, {delta}H{sup o}and {delta}S{sup o}) showed that the biosorption of total chromium onto ...

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Thermoluminescence (TL) properties of sphene and epidote are of interest in studies related to their radiation damage. Natural and artificially induced TL of these minerals has, therefore, been investigated. Both minerals exhibit complex glow curves with several overlapping peaks. The Tsub(m) -Tsub(STOP) thermal cleaning procedure has revealed three peaks in the ..gamma.. ray induced glow curve of each mineral. That these peaks obey second order kinetics was indicated by the continuously slanting structure of the Tsub(m)-Tsub(STOP) curve. The TL parameters E and s have been calculated using (i) the initial rise method, and (ii) the glow-peak shape method. In general, the values of E calculated by the first method are found to be higher than those from the second. The TL curve-fitting method is also applied in order to calculate these parameters and to serve as a ...

International Nuclear Information System (INIS)

The formation of the ions charge and energy distributions of the ions slowed down or randomly changing their charge in the collisions with the medium particles are studied. The effect of the ions dispersion by the charge on the Bragg curve form is investigated. The proposed diffusion approximation for the heavy ions kinetic equation makes it possible to determine simply the parameters of the ions distribution by charge and energy on the whole way of the ions motion. The relation between the ions charge distribution characteristics and the cross sections of the ionization-recombination processes is indicated. The ions distributions, calculated in the proposed analytical model, are compared with the results of the numerical calculations. Good agreement between the analytical, numerical and experimental results is obtained

International Nuclear Information System (INIS)

The mass of the nucleon is studied in a chiral quark-diquark model. Both scalar and axial-vector diquarks are taken into account for the construction of the nucleon state. After the hadronization procedure is used to obtain an effective meson-baryon Lagrangian, the quark-diquark self-energy is calculated to generate the baryon kinetic term as well as determine the mass of the nucleon. It turns out that both the scalar and axial-vector parts of the self-energy are attractive for the mass of the nucleon. We investigate the range of parameters that can reproduce the mass of the nucleon.

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 ...

Science.gov (United States)

Based on a collisional-radiative model, an atomic-kinetic calculation of the gains on the 41.8-nm transitions of Pd-like xenon was performed for the plasma produced due to the interaction of a femtosecond laser pulse with gaseous xenon. The gains g(z,{tau}) averaged over the spatial and temporal coordinates were compared with the known gains which had been measured experimentally in Xe{sup 8+}. The amplification was shown to occur under the conditions of ionisation of the working ions, and the time of output radiation saturation depends on the time of Xe{sup 8+} transformation to higher-ionised ions. Our theoretical investigation enables determining the optimal pump parameters, at which the product of the gain g by the active medium length L is about 20, which exceeds the experimental gL value. (active media)

Energy Technology Data Exchange (ETDEWEB)

The effects of the heating rate from 0.6 up to 50{sup o}C.s{sup -1} on the thermoluminescence of {alpha}-Al{sub 2}O{sub 3}:C are very intensive. The material rapidly loses its high sensitivity as the heating rate increases. The peak shape characteristics, peak maximum and full width at half maximum agree only qualitatively with those theoretically predicted. The trapping parameters calculated by the curve fitting method, the peak shape method, the variable heating rate method and the initial rise method, were found to decrease as the heating rate increases. The validity of the results are discussed in the framework of the kinetic models. (author).

UK PubMed Central (United Kingdom)

The kinetic parameters of single bonds between neural cell adhesion molecules were determined from atomic force microscope measurements of the forced dissociation of the homophilic protein-protein bonds....Full Text Available

Science.gov (United States)

X-ray diffraction offers a unique combination of advantages for kinetic study which include the non-destructive nature of the measurement, the use of bulk crystals, and the convenience of the experimental arrangements. These attributes and the availability of position-sensitive detectors and high-flux synchrotron radiation sources make this technique most useful for in situ, dynamical investigations. When using diffraction techniques to determine a diffusion coefficient, the principle of analysis entails a scattering theory and a kinetic model. The former allows the kinetic parameter(s) to be extracted from measured intensity, while the latter relates the kinetic parameter(s) to the diffusion coefficient(s). Three examples are demonstrated: (1) Palladium Silicide (Pd{sub 2}Si) Layer Growth on Silicon, (2) Decomposition of an Ni-12.5at%Si Superalloy, and (3) ...

Energy Technology Data Exchange (ETDEWEB)

A flexible and computationally economical model of the internal combustion engine was developed for use on large digital computer systems. It is based on a system of ordinary differential equations for cylinder-averaged properties. The computer program is capable of multicycle calculations, with some parameters varying from cycle to cycle, and has restart capabilities. It can accommodate a broad spectrum of reactants, permits changes in physical properties, and offers a wide selection of alternative modeling functions without any reprogramming. It readily adapts to the amount of information available in a particular case because the model is in fact a hierarchy of five models. The models range from a simple model requiring only thermodynamic properties to a complex model demanding full combustion kinetics, transport properties, and poppet valve flow characteristics. Among its many features the model includes heat transfer, ...

Energy Technology Data Exchange (ETDEWEB)

The biosorption characteristics of Pb(II) and Cd(II) ions from aqueous solution using the green alga (Ulva lactuca) biomass were investigated as a function of pH, biomass dosage, contact time, and temperature. Langmuir, Freundlich and Dubinin-Radushkevich (D-R) models were applied to describe the biosorption isotherm of the metal ions by U. lactuca biomass. Langmuir model fitted the equilibrium data better than the Freundlich isotherm. The monolayer biosorption capacity of U. lactuca biomass for Pb(II) and Cd(II) ions was found to be 34.7 mg/g and 29.2 mg/g, respectively. From the D-R isotherm model, the mean free energy was calculated as 10.4 kJ/mol for Pb(II) biosorption and 9.6 kJ/mol for Cd(II) biosorption, indicating that the biosorption of both metal ions was taken place by chemisorption. The calculated thermodynamic parameters ({delta}G{sup o}, {delta}H{sup o} and {delta}S{sup o}) showed that the biosorption of ...

Energy Technology Data Exchange (ETDEWEB)

Monte Carlo neutron transport methods can be used to verify the applicability of point kinetics for safety analysis of nuclear reactors. KENO-NR was used to obtain the transfer function of the Advanced Neutron Source reactor and the time delay between the core power production and the external detectors, a parameter of interest to the safety systems design. The good agreement between the Monte Carlo generated transfer function and the point kinetics transfer function validates that the uncommon ANS geometry does not preclude the use of point kinetics in the frequency range that was investigated. Various features of the power spectral densities also demonstrated the applicability of point kinetics. The time delay was obtained from the cross-power spectral density (CPSD) and is {approximately}15 ms. These analyses show that frequency analysis can be used experimentally to investigate ...

Energy Technology Data Exchange (ETDEWEB)

Trichloroethene (TCE), a common groundwater contaminant, can be degraded under certain conditions by microorganisms that occur naturally in the subsurface. TCE can be degraded under anaerobic conditions to less chlorinated compounds and ultimately into the non-chlorinated, non-hazardous end product, ethene, via anaerobic reductive dechlorination (ARD). ARD is widely recognized as a TCE degradation mechanism, and occurs in active groundwater remediation and can occur during monitored natural attenuation (MNA). MNA relies on natural processes, such as dispersion and degradation, to reduce contaminant concentrations to acceptable levels without active human intervention other than monitoring. TCE can also be biodegraded under aerobic conditions via cometabolism, in which microbial enzymes produced for other purposes fortuitously also react with TCE. In cometabolism, TCE is oxidized directly to non-hazardous products. Cometabolism as a TCE-degrading process under aerobic conditions is less ...

Energy Technology Data Exchange (ETDEWEB)

In this paper a phenomenological analysis of the sintering kinetics of alumina powder compacts with different proportions of small and large particles has been made. A phenomenological approach enables definition of functional connections between parameters characteristic of a certain material and the sintering time. A phenomenological equation is defined, which can be used to describe the densification process of alumina during isothermal sintering. Its parameters enable identification of the dominant diffusion mechanism. (orig.)

International Nuclear Information System (INIS)

The unsteady flow and heat transfer are simulated using LES and DNS for a channel with two angled ribs as a vee-shaped vortex generator to augment heat transfer. The vortex generators are attached on the bottom wall of the channel and their angles in respect to the main flow are between 10"o and 30"o. The Prandtl number is 0.71 and the Reynolds numbers based on the inflow velocity and the height of channel are from 200 to 2000. Based on the results of this work, the variations of the Nusselt number, pressure coefficient, bulk temperature, friction factor and Colburn factor with the Reynolds numbers and the incidence angles are provided. The relation between the key parameters of the velocity (friction factor f) and thermal (Colburn factor J) boundary layers is calculated for all cases and their values are compared with the predicted values by the Chilton-Colburn analogy. A comparison between the DNS and LES results is performed and it is found ...

Energy Technology Data Exchange (ETDEWEB)

The cracking of 2-methylpentane on USHY at 300, 400, 450, and 500[degrees]C is interpreted in detail in terms of a chain mechanism. The kinetic equation developed from this mechanism fits the experimental data very well. The contribution of chain processes to the overall rate of conversion depends on the kinetic chain length, which in turn depends on the surface coverage by carbenium ions and their reactivities. Kinetic parameters were obtained at all four temperatures. A detailed examination of the kinetics shows that chain processes are more important at low reaction temperatures, whereas protolytic cracking dominates at higher temperatures. The parameters also show that both competitive inhibition by products and the rate of catalyst decay increase with increasing reaction temperature. Furthermore, they show that carbenium ions formed on Broensted sites are ...

Science.gov (United States)

The kinetic rate constants for the cracking, isomerization, and disproportionation of n-heptane over a CrHNaY (32% chromium exchanged) zeolite catalyst at 400, 450, and 470/sup 0/C have been calculated. The interaction of n-heptane with a model Lewis acid such as BF/sub 3/ and progress along the reaction coordinate have been studied by means of molecular orbital calculations. From the kinetic results, i.e., activation energies and frequency factors, and the theoretical calculations, it can be concluded that the controlling step in these reactions is not the formation of the carbonium ion, but the subsequent transformation of this carbonium ion. In addition, the theoretical calculations show that the attack of a Lewis acid is more likely to occur on a carbon atom than on a C-H bond.

Energy Technology Data Exchange (ETDEWEB)

The kinetics of HO{sub 2} radicals in UV-irradiated frozen dilute solutions of H{sub 2}O{sub 2} were followed by the ESR technique. Radical disproportionations at the irradiation temperature were found to be adequately described in terms of dispersive kinetics by a second-order equal-concentration kinetic equation with rate parameters changing non-monotonically in the temperature range 100-200 K. These changes are thought to occur due to well separated structural relaxation regions of polycrystalline ice in the above temperature range. (author).

Science.gov (United States)

As a result of the large limestone deposits available in Poland, the low cost of reagent acquisition for the largescale technological use and relatively well-documented processes of flue gas desulfurization (FGD) technologies based on limestone sorbent slurry, wet scrubbing desulfurization is a method of choice in Poland for flue gas treatment in energy production facilities, including power plants and industrial systems. The efficiency of FGD using the above method depends on several technological and kinetic parameters, particularly on the pH value of the sorbent (i.e., ground limestone suspended in water). Consequently, many studies in Poland and abroad address the impact of various parameters on the pH value of the sorbent suspension, such as the average diameter of sorbent particles (related to the limestone pulverization degree), sorbent quality (in terms of pure calcium carbonate [CaCO3] content of the sorbent ...

Energy Technology Data Exchange (ETDEWEB)

The physical structure of a limestone or dolomite to be used in in-bed sulfur capture in fluidized bed boilers has great impact on the efficiency of sulfur capture and sorbent use. Therefore in process optimization and model calculations parameters describing the pore structure of these sorbents must be included. In this study an unreacted shrinking core model with variable effective diffusivity is applied to sulfation test data from a pressurized thermogravimetric apparatus (P-TGA) for various limestone and dolomite samples. The particle size was 250--300 {micro}m for all sorbents. The tests were done under typical conditions for a pressurized fluidized bed combustor, i.e. 850 C or 950 C, 15 bar, and were reported earlier at the 12th International Conference on Fluidized Bed Combustion. At these conditions the limestone remains uncalcined, while the dolomite is half-calcined. The sorbents were characterized by chemical composition analysis, ...

Energy Technology Data Exchange (ETDEWEB)

This project is part of PETC`s Advanced Power Systems Program, whose mission is to accelerate the commercialization of affordable, high- efficiency, low emission, coal-fueled electric generating technologies. A process concept - Clear Liquor Scrubbing with Anhydrite Production - was proposed and accepted by PETC as a Phase I project in its Mega-PRDA program. the project integrated three process operations - chloride control upstream of the flue gas desulfurization (FGD) system, a clear liquor process for enhanced SO{sub 2} removal performance, and production of anhydrite (anhydrous calcium sulfate) rather than calcium sulfite or gypsum (calcium sulfate dihydrate). The first step in the project was to perform batch and flow-through experiments in the laboratory to confirm theoretical calculations and preliminary laboratory results concerning anhydrite formation, these laboratory experiments were designed to prove that anhydrite can be produced under conditions that ...

UK PubMed Central (United Kingdom)

In this report we define the parameters of the human immune response after immunization with hepatitis B vaccine. 2 wk after booster immunization, there is significant spontaneous secretion of antibody...Full Text Available

International Nuclear Information System (INIS)

A simple model is described to simulate kinetic processes in dielectric barrier discharges for O_2/NO_x mixtures. A threshold of ozone production found experimentally is confirmed by the calculations of this modeling, and the underlying chemical reaction mechanisms are discussed. It is also found that the effects of diffusion processes in the period of the lifetime of O atoms are not important to micro-discharge channels with a large radius, i.e. larger than 150 #mu#m

UK PubMed Central (United Kingdom)

A method has been developed to predict the effects of mutations in the p53 cancer suppressor gene. The new method uses novel parameters combined with previously established parameters. The most important...Full Text Available

British Library Electronic Table of Contents (United Kingdom)

The mechanism of the IndolPhos-Rh-catalyzed asymmetric hydrogenation of prochiral olefins has been investigated by means of X-ray crystal structure determination, kinetic measurements, high-pressure NMR spectroscopy, and DFT calculations. The mechanistic study indicates that the reaction follows an unsaturate/dihydride mechanism according to Michaelis-Menten kinetics. A large value of KM (KM=5.01+-0.16 M) is obtained, which indicates that the Rh-solvate complex is the catalyst resting state, which has been observed by high-pressure NMR spectroscopy. DFT calculations on the substrate-catalyst complexes, which are undetectable by experimental means, suggest that the major substrate-catalyst complex leads to the product. Such a mechanism is in accordance with previous studies on the mechanism...

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)

A method of kinetic analysis applicable to non-isothermal oxidation processes of ceramic nanocomposites is presented using Ti-Si-C-N powder as the substrate. The nanoparticle size and phase composition were determined using high-resolution transmission electron microscopy and X-ray diffraction (XRD). Thermogravimetric measurements were carried out for powder samples in dry air in the temperature range 298-1770 K. The following heating rates were applied: 3, 5, 10, 20 K min{sup -1}. Mass spectrometry was used to analyze gaseous oxidation products and solid products were identified by the XRD technique. The Coats-Redfern equation was applied for the kinetic analysis. For each stage of the oxidation kinetic models, the best accuracy was achieved using a series of criteria, and then the A and E parameters of the Arrhenius equations were estimated. Both linear regression and artificial neural networks were ...

International Nuclear Information System (INIS)

Studies at Commissariat a l'Energie Atomique (CEA) have been under way for three years in an attempt to find methods for preventing and stopping denting. Tests have been performed in 28 model boilers (Ajax with U tubes and Clarinette with straight tubes). In these boilers, with continous injection and blowdown, and heat flux is about 40 W X cm"-"2 (126900 Btu/ft"2 X h). The kinetics of denting has been studied with different levels of faulting. Some high-temperature electrochemical measurements established the mechanism of denting in the boiler tests. Denting kinetics can be rationalized in terms of three main parameters: faulting level, heat flux, and relative mechanical strength of the tube compared to the support plate.

British Library Electronic Table of Contents (United Kingdom)

b-carotene, a natural antioxidant, beneficial form human health prospective. In this study we had examined the recovery of b-carotene form mesoporous carbon coated monolith (MCCM) by batch process. Desorption kinetics and isotherm studies were carried out by using n-hexane as an eluent. Isotherm studies showed better applicability of Langmuir model. The first-order two-compartment three-parameter kinetics model as a function of initial loading concentration and reaction temperature was applied. It was observed that b-carotene desorption process is controlled by both rapid and slow desorption. Results showed that the slow desorption fraction increases from 0.8446 to 0.9007 with increase in initial loading concentration from 10.83 to 39.72mg/g while, the slow desorption fraction decreases fr...

Energy Technology Data Exchange (ETDEWEB)

Iron undergoes a polymorphic phase transformation from alpha phase (bcc) to the epsilon phase (hcp) when compressed to stresses exceeding 13 CPa. Bccause the epsilon phase is denser than the alpha phase, a single shock wave is unstable and breaks up into an elastic wave, a plastic wave, and a phase transition wave. Examination of this structured wave coupled with various phase transformation models has been used to indirectly examine the transition kinetics. Recently, multimillion atom simulations (molecular dynamics) have been used to examine the shock-induced transition in single crystal iron illustrating an orientation dependence of the transition stress, mechanisms, and kinetics. The objective of the current work was to perform plate impact experiments to examine the shock-response of polycrystalline and single crystal iron with nanosecond resolution for impact stresses spanning the {alpha} - {epsilon} transition. The current data reveal an ...

DEFF Research Database (Denmark)

A simple closed-form equation to calculate the envelope correlation between any two receiver or transmitter antennas in a multi-input multi-output (MIMO) system of an arbitrary number of elements is derived. The equation uses the scattering parameters obtained at the antenna feed point to calculate the envelope correlation coefficient. This approach has the advantage that it does not require knowledge of the antenna radiation pattern. Numerical data that include conductor and permittivity loss are shown to validate the approach. Using the scattering parameters for calculating the envelope correlation is less laborious and relatively cheaper, as compared to the radiation pattern approach.

Energy Technology Data Exchange (ETDEWEB)

The kinetics of the reaction of 2,4-dinitrohalogenobenzenes (chlorine, bromine, and iodine derivatives) with tetraethylammonium azide in acetonitrile and in a mixed acetonitrile-dioxane solvent (80 vol. % dioxane) were studied. It was established that there is a marked increase (by more than three orders of magnitude) in the azidization rate constant in the transition from protic solvents to aprotic media, due to the decrease in the activation energy barrier of the reaction. The nucleophilicity parameters N/sup +/ for the azide ion in the investigated solvents were determined in terms of Ritchie's relationship. It was established that the effect of the nature of the leaving group on the rate constant of the reactions is complex in character, and it was shown that treatment of the relative reactivity series for the investigated substrates must be based on an analysis of the activation parameters and not restricted ...

Science.gov (United States)

... N ? M is not forgotten during calculations. The parameter covariance matrix, often referred to as the model covariance matrix, ... ...

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 III: Control Rods and Burnable Absorber Calculations. Perturbation Theory for Nuclear Reactor Analysis. Thermal Reactors Calculations. Fast Reactor Calculations. Seed-Blanket Reactors. Index.

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)

Orujillo, sometimes called wood matter from pressed oil-stone (WPOS) is a residue from the olive oil mill industry. The generation of this biomass residue is concentrated in small areas allowing its use as fuel for medium size gasification and combustion plants. Rates of gasification of WPOS char were measured in a TGA at various temperatures (800-850-875-900-950{sup o}C), CO{sub 2} partial pressures (0.20-0.35-0.50 bar) and CO partial pressures (0.0-0.20 bar). The experiments were carried out with a monolayer bed of very fine particles well exposed to the gas so as to minimise mass and heat transfer resistances. Two kinetic models, the nth order model and Langmuir-Hinshelwood model, have been used to fit with the reactivity data. For pure CO{sub 2} experiments the kinetic parameters of nth order model were E=133 kJ/mol and n=0.43. The Langmuir-Hinshelwood kinetic model clearly describes the observed CO ...

International Nuclear Information System (INIS)

The complexing of paramagnetic salts of molybdenum and tungsten with tri-tert-butylphenyl ester of 1,2-naphthoquinone-diazide-(2)-5-sulfochloride is studied by PMR and EPR methods. From the changes of half-widths of lines in PMR spectra and analysis of g-factor in EPR spectra, the kinetic and thermodynamic parameters of the complexing are determined, and the composition of the complexes formed is established, and the schemes of their formation are suggested.

International Nuclear Information System (INIS)

The energy levels, wavelengths, oscillator strengths, Auger rates and level-to-level dielectronic recombination rate coefficients describing dielectronic recombination into excited levels of Ne-like titanium from F-like low-lying states are calculated. Our calculations are based on Dr. R.D. Cowan's semi-relativistic mass-velocity and Darwin corrections are included in the Hamiltonian, and the distorted-wave model is used for the calculation of free electron wavefunctions. In order to set the recombination rate coefficients on a level by level basis, in a manner compatible with detailed level population kinetics modelling of highly-stripped ions in plasma, the dielectronic recombination rate coefficients as a function of free electron temperatures are given in an analytical form, which is not only very convenient in practice, but also hopefully accurate compared with the exactly ...

International Nuclear Information System (INIS)

The results for development of methods and computer programs for integrated optimization of parameters of perspective fast reactors are given. The possibilities of the program for the reactor campaign calculation are analysed. This program is based on utilisation of the Bubnov-Galerkin method and Wigner disturbance theory. The possibility of application of approximation methods for the optimization researches is discussed. The results of development of the programs for complex reactor computations with account of control rods system and change of physical parameters in the reactor campaign are discussed. (author).

International Nuclear Information System (INIS)

Each choice of an arbitrary nonzero function f of the four immersion parameters is shown to determine 16N[f] distinguishable classes of two-parameter families of immersions of Einstein-Riemann spacetimes in six-dimensional flat spaces, where N[f] is the number of regular immersion parameter domains. The metric tensors, curvature tensors and the immersion loci are calculated in a closed form, and these calculations involve only finitely many algebraic operations. The presence of the arbitrary function provides the opportunity for study of the behaviour of multiple isolated singularities and/or 'shape' functions in general relativity.

Science.gov (United States)

The authors have determined quantitative characteristics for oxide films forming on (111) surfaces of cadmium telluride single crystals on anodic oxidation in 0.1 M KOH: the constants in the Guenterschulze-Betz equation and the film growth constant, which is 2.4 nm/V, from which the activation energy for cadmium telluride electrooxidation has been calculated.

Energy Technology Data Exchange (ETDEWEB)

Analysis of the coke gas combustion porcess is presented. Standard kinetic relationships were utilized. Calculations were performed for coke gas with high and low content of H/sub 2/ and for blasting air 20 and 100/sup 0/C. Temperature relationships, composition of gas combustion products and release of nitrogen oxides were determined. Results are analyzed which will make it possible to control the composition of combustion products.

British Library Electronic Table of Contents (United Kingdom)

This paper presents the results of experimental investigations of the ignition and combustion of plant biofuels (wood particles, date stones) and products of their mechanical and thermal treatment (pellets, charcoal) at temperatures typical of the burning process in nonforced furnaces and fixed-bed and fluidized-bed gas producers. The influence of the furnace heat treatment of a fuel on its inflammation and combustion has been revealed. The results have been compared with the known data on the burning of pellets, brown coals, and anthracites and with the calculation by the classical diffusion-kinetic model.

DEFF Research Database (Denmark)

Background: Recent studies have developed a murine model of IgE-mediated food allergy based on oral coadministration of antigen and cholera toxin (CT) to establish a maximal response for studying immunopathogenic mechanisms and immunotherapeutic strategies. However, for studying subtle immunomodulating factors or factors effective during response initiation, this maximal response-based model is less suitable due to a lack of sensitivity. Therefore, in attempts to identify essential parameters to fine-tune the immune response towards a submaximal level, potentially more sensitive, we were interested in characterizing the individual effects of the parameters in the CT-based model: CT dose, antigen type and dose, and number of immunizations. Methods: BALB/c mice were orally sensitized weekly for 3 or 7 weeks with graded doses of CT and various food antigens (soy-trypsin inhibitor, ovalbumin or ovomucoid). Antigen-specific lgG1, IgG2a, IgA and IgE ...

British Library Electronic Table of Contents (United Kingdom)

The lignin, one of the main by-products of the pulp industry, can be used to remove dyes from textile wastewaters. The potential of the lignin for Brilliant Red HE-3B reactive dye removal from aqueous solutions at pH=1.5 was examined by the batch technique as a function of dye concentration, solution temperature and contact time. The Freundlich, Langmuir, Dubinin-Radushkevich and Tempkin adsorption isotherms were used to describe the data of sorption equilibrium and to determine its corresponding isotherm constants. The thermodynamic parameters DG, DH and DS were also determined; the obtained values show that the sorption of reactive dye on lignin is a spontaneous, endothermic and entropy-driven process. The kinetic of reactive dye sorption was analyzed using the pseudo-first order and pse...

British Library Electronic Table of Contents (United Kingdom)

Non-isothermal TG/DTG measurements are widely used to determine kinetic parameters of oxidation and gasification of carbons, e.g. by multi-heating rate methods. Thereby it is important to avoid spurious effects due to diffusion limitations. In this work, TG/DTG experiments with activated carbon were conducted under isothermal and non-isothermal conditions. The agreement of the experimental results with results of simulations based on the intrinsic kinetics, pore diffusion and external diffusion in/to the sample (crucible) is very good. The simulations show that mass transfer has an unwanted influence on TG measurements, if the concentration of the gaseous reactant (O2 and CO2) is too low and/or the heating rate is too high. Based on literature data, the simulation was extended to blast fur...

CERN Document Server

Proteinaceous aggregation occurs through self-assembly-- a process not entirely understood. In a recent article [1], an analytical theory for amyloid fibril growth via secondary rather than primary nucleation was presented. Remarkably, with only a single kinetic parameter, the authors were able to unify growth characteristics for a variety of experimental data. In essence, they seem to have uncovered the underlying allometric laws governing the evolution of filament elongation simply from two coupled non-linear ordinary differential equations (ODEs) stemming from a master equation. While this work adds significantly to our understanding of filament self-assembly, it required an approximate analytical solution representation. Here, we show that the same results are found by purely numerical means once a straightforward and reliable numerical solution to the set of ODEs has been established.

International Nuclear Information System (INIS)

The sensitivity analysis summarized in this paper was made to determine the parameters of greatest influence in the prediction of radon barrier cover thickness for the stabilization of uranium mill tailings piles. Such information provides the basis for setting priorities and levels of effort for data collection, and improves knowledge of the sources of uncertainty in the calculation of cover thickness. In the context of this paper, the influence of a parameter on cover thickness incorporates two effects: (1) the sensitivity of the mathematical formulation to changes in a parameter's value, and (2) the range of values that a parameter may take on under site-specific conditions. Of the several parameters that are used in the calculations, the most influential are cover moisture content, cover radon diffusion coefficient, tailings radium ...

International Nuclear Information System (INIS)

Nuclear physics parameters of the Wolsung CANDU-PHW reactor are computed by use of the PHWCELL computer code that is an improved version of LATREP. The PHWCELL code mainly computes cell parameters of heavy water moderated reactors, and modeling scheme of heavy water reactor cell calculations has been developed with the PHWCELL computer code. The reactor operating conditions considered in the study are cold zero power (CZP) and hot full power (HFP) with equilibrium poison. The cell parameters are also computed as a function of fuel burnup and the numerical results are compared with the results in PSR of the Wolsung unit and in the previous study. (author).

British Library Electronic Table of Contents (United Kingdom)

Abstract In this study, surfactant-modified zeolite (SMZ) was used to remove Remazol Brillant Blue R and Remazol Yellow reactive dyes from aqueous solutions. The influences of suspension pH, temperature, agitation rate, and the SMZ dosage on reactive dyes removal and adsorption capacity were investigated by conducting a series of batch adsorption experiments. The adsorption kinetics was tested for pseudo-first-order, pseudo-second order, intraparticle diffusion model, Elovich, and Bangham models, and rate constants of the kinetic models were calculated. Equilibrium isotherms for the adsorption of reactive dyes were analyzed by the Freundlich, Langmuir, Dubinin-Radushkevich, and Tempkin isotherm models. The Langmuir monolayer adsorption capacities of Remazol Brillant Blue R and Remazol Yell...

Energy Technology Data Exchange (ETDEWEB)

A detailed chemical kinetic model to describe the autoignition of gasoline surrogate fuels is presented consisting of the fuels iso-octane, n-heptane, toluene, diisobutylene and ethanol. Model predictions have been compared with shock tube ignition delay time data for surrogates of gasoline over practical ranges of temperature and pressure, and the model has been found to be sensitive to both changes in temperature and pressure. Moreover, the model can qualitatively predict the observed synergistic and antagonistic non-linear blending behaviour in motor octane number (MON) for different combinations of primary reference fuels (PRFs) and non-PRFs by correlating calculated autoignition delay times from peak pressures and temperatures in the MON test to experimental MON values. The reasons for the blending behaviour are interpreted in terms autoignition chemistry. 37 refs., 11 figs., 4 tabs.

Energy Technology Data Exchange (ETDEWEB)

In this paper we study different effects of excited molecules on swarm parameters, electron energy distribution functions and gas discharge modeling. First we discuss a possible experiment in parahydrogen to resolve the discrepancy in hydrogen vibrational excitation cross section data. Negative differential conductivity (NDC) is a kinetic phenomenon which manifests itself in a particular dependence of the drift velocity on E=N and it is affected by superelastic collisions with excited states. A complete kinetic scheme for argon required to model excited state densities in gas discharges is also described. These results are used to explain experiments in capacitively and inductively coupled RF plasmas used for processing. The paper illustrates the application of atomic and molecular collision data, swarm data and the theoretical techniques in modeling of gas discharges with large abundances of excited molecules. It is ...

International Nuclear Information System (INIS)

Liquid radioactive raffinates from nuclear fuel reprocessing at the Idaho National Engineering and Environmental Laboratory were solidified, or calcines, in a fluidized bed reactor at approximately 500 C to form a dry granular material. This calcine has been provisionally stored near-surface in concrete-encased stainless steel bins at the Idaho Nuclear Technology Engineering Center. Research addressing the permanent immobilization of radioactive waste has been ongoing. One option is to separate the radioactive constituents from the calcine, thereby reducing the radioactive waste volume to be ultimately stored at a national nuclear waste repository. Nitric acid dissolution of the calcine is a key front-end unit operation in the separations option. In order to design calcine dissolution equipment, quantification of dissolution reaction rate parameters is required. A pilot-plant-produced, non-radioactive calcine was utilized to study the dissolution ...

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 ...

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In order to calculate the doses received by the organs of 530 children treated by radiation for cancer between 1945 and 1969 at the G. Roussy Institute, we have developed a computer program for organ location calculation. To calculate the location of each child's organs of interest at the time of the treatment, only two parameters are necessary; sex and height or sex and age when the height at the time of the treatment is unknown. The algorithm is based on the metric studies of growth known as auxology. Each organ is located by one point representing its center. The model has been checked on 100 healthy children.

International Nuclear Information System (INIS)

The neutron capture cross sections of "2"4"1Am and "2"4"3Am to the ground and isomeric states of "2"4"2Am and "2"4"4Am have been calculated using the Hauser-Feshbach statistical theory of nuclear reactions for energies from thermal to 2 MeV. The parameters for the calculations were obtained from recent data on ("2"4"1Am + n) and ("2"4"3Am + n) or, where necessary, from systematics of actinide nuclei. The calculated values are in good agreement with the sparse experimental data.

International Nuclear Information System (INIS)

This paper first introduces the calculating method of radium specific activity to determine the radon emanation rate of tailing of uranium mine No. 794, the method needs two parameters: radon emanation coefficient and radon diffusion coefficient. According to the measured results of parameters and the contrast between radium specific activity of indoor chemical analysis of field sample and field gamma-ray spectra, the authors discuss the variation rules and characteristics of radon emanation coefficient and radon diffusion coefficient, and the best climate and seasons for measuring these parameters in northern China, and finally summarize the characteristics of this method through analyzing measured results. (authors)

International Nuclear Information System (INIS)

The purpose was to identify human in vitro cell lines with a high relative cellular sensitivity to fast neutrons as compared to photons and to examine their relationship to intrinsic photon radiosensitivity and cellular proliferation kinetics. The clonogenic cell survival following exposure to low LET, 4 MeV photons or, high LET, 62.5 MeV (p #-># Be"+) fast neutrons and the cell survival following exposure to low LET, 4 MeV photons or, high LET, 62.5 MeV (p #-># Be"+) fast neutrons and the cell kinetic parameters of 30 human in vitro cell lines, covering a wide range of histologies, were analyzed alone and with previously published data of Fertil and Malaise. The relative survival at 1.6 Gy of neutrons (SF_1_._6) compared to 2 Gy of photons (SF_2) and the cell kinetic parameters of the 30 cell lines were also compared. The relative lethality of 62.5 MeV fast neutrons was ...

International Nuclear Information System (INIS)

The transfer kinetics of the monosiaylated glycosphingolipid, GM_1, between different size phospholipid vesicles was measured using molecular sieve chromatography. At desired time intervals, small unilamellar donor vesicles were separated from large unilamellar acceptor vesicles by elution from a Sephacryl S-500 column ["3H]-GM_1 net transfer was calculated relative to ["1"4C]-cholesteryl oleate, which served as a nontransferable marker in the donor vesicles. The initial GM_1 transfer rate between 1-palmitoyl-2-oleoyl phosphatidylcholine vesicles at 45"0C deviated slightly from first order kinetics and possessed a half time of 3.6 days. This transfer half time is an order of magnitude shorter than that observed from the desiaylated derivative of GM_1. The transfer kinetics are consistent with the authors recent electron microscopic results suggesting a molecular distribution of GM_1 in ...

International Nuclear Information System (INIS)

For the Convolution, Superposition and Monte Carlo methods, energy spectrum data is an essential parameter. Especially, by using Monte Carlo method, if the adequate properties of electrons are set, complex energy spectrum data can be calculated by simple input. However, adjustment of the property of electrons incident on the target of linear accelerator is time-consuming procedure. To cover the difference of many accelerators, it is important how we obtain accurate energy spectrum by simple methods. Especially, the total accuracy of dose calculation depends on the agreement of measured and calculated percentage depth dose (PDD) and off-axis ratio (OAR). Thus, a simple method for the determination of the simulation parameters was considered. To reduce the adjustment procedure, we selected values of important three parameters, which were the mean energy of the ...

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Expressions for the spatial moments and macrodispersion tensor for sorbing solutes in heterogeneous formations were presented using a probabilistic model of a fluid residence time coupled with the particle position analysis. The fluid residence time was defined as a fraction of the actual time during which the particle stayed in the mobile fluid phase of the aquifer. The fluid residence time is a random variable whose variability comes as a result of the non-equilibrium sorption properties. The sorbing solute was assumed to be governed with first-order linear kinetics. The closed-form expressions were based on the stationarity in the kinetic process and on the first-order approximation in the hydraulic conductivity field and in the fluid residence time. The non-equilibrium effects were presented as a function of the spatial variability in hydraulic conductivity and temporal variability in the fluid residence time. The importance of the ...

British Library Electronic Table of Contents (United Kingdom)

An approach to the calculation of the quantity of heat consumed in the process of coal formation is presented. The variability of this parameter in a coalification series is analyzed using coals from the Kuznetsk and Tunguska Basins as an example.

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Linear properties of ion temperature gradient (ITG) modes in helical systems are studied. The real frequency, growth rate, and eigenfunction are obtained for both stable and unstable cases by solving a kinetic integral equation with proper analytic continuation performed in the complex frequency plane. Based on the model magnetic configuration for toroidal helical systems like the Large Helical Device (LHD), dependences of the ITG mode properties on various plasma equilibrium parameters are investigated. Particularly, relative effects of {nabla}B-curvature drifts driven by the toroidicity and by the helical ripples are examined in order to compare the ITG modes in helical systems with those in tokamaks. (author)

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The schematic model is extended to open-shell nuclei. The quasiparticle random-phase approximation plus core polarization are used to calculate multipole matrix elements M/sub n/ and M/sub p/. Calculated trends in the ratio of deformation parameters ..beta../sub n//..beta../sub p/ are compared with experimental ratios for several sets of isotopes and isotones. The systematics indicate a rather abrupt change toward equality of ..beta../sub n/ and ..beta../sub p/ when N or Z is changed from a closed-shell value.

CERN Document Server

In the paper we investigate a mathematical model describing the growth of tumor in the presence of immune response of a host organism. The dynamics of tumour and immune cells is based on the generic Michaelis-Menten kinetics describing interaction and competition between the tumour and the immune system. The appropriate phenomenological equation modeling cell-mediated immune surveillance against cancer is of the predator-prey form and within a given choice of parameters exhibits bistability. Under the influence of spontaneous weak fluctuations, the model may be analyzed in terms of a stochastic differential equation bearing the form of an overdamped Langevin-like dynamics in the external quasi-potential represented by a double well. We analyze properties of the system within the range of parameters for which the potential wells are of the same depth and when the additional perturbation describing a periodic treatment is ...

British Library Electronic Table of Contents (United Kingdom)

This paper presents a patient specific deformable heart model that involves the known electrical and mechanical properties of the cardiac cells and tissue. The whole heart model comprises ten Tusscher's ventricular and Nygren's atrial cell models, the anatomical and electrophysiological model descriptions of the atria (introduced by Harrild et al.) and ventricle (given by Winslow et al.), and the mechanical model of the periodical cardiac contraction and resting phenomena proposed by Moireau et al. During the propagation of the depolarization wave, the kinetic, compositional and rotational anisotropy is handled by the tissue, organ and torso model. The applied patient specific parameters were determined by an evolutionary computation method. An intensive parameter reduction was performed u...

Science.gov (United States)

An original method is proposed for ensuring time-invariant (stationary) interior ballistic parameters in the postprojectile space of a gun barrel. Stationarity of the parameters is achieved by investing the solid-propellant charge with highly original structures that produce the required pressure condition and linear growth of the projectile velocity. Simple relations are obtained for calculating the principal characteristics.

International Nuclear Information System (INIS)

The Grueneisen parameter and lattice thermal expansion of the A-15 compounds V_3Si and V_3Ge at room temperature are evaluated on the basis of the method due to Brugger and Fritz from the third order elastic constants reported earlier. The calculated values are compared with available experimental values and are found to fit satisfactorily. (author).

Energy Technology Data Exchange (ETDEWEB)

Proton production in pA interactions in the kinematically forbidden region is studied using the intranuclear cascade model for the primary proton energies 7.5 and 8.9 GeV/c. The region of secondary-proton kinetic energies above 100 MeV, where the contribution from the post-cascade stages of the interaction is small, is studied. The calculated energy and angular spectra are in good agreement with the experimental ones. The mechanisms of multiple rescattering of particles on the nucleons of the nucleus and ..pi..-meson absorption on a two-nucleon flucton are analyzed. The kinematical ranges where these mechanisms operate are determined.

Energy Technology Data Exchange (ETDEWEB)

The validity is given to the newly proposed two {delta}f method for neoclassical transport calculation, which can be solve the drift kinetic equation considering effects of steep plasma gradients, large radial electric field, finite banana width, and an orbit topology near the axis. The new method is applied to the study of ion transport with steep plasma gradients. It is found that the ion thermal diffusivity decreases as the scale length of density gradient decreases, while the ion particle flux due to ion-ion self collisions increases with increasing gradient. (author)

International Nuclear Information System (INIS)

Retention kinetics and tissue partition coefficients for "8"5Kr were determined in rats exposed to known concentrations of "8"5Kr gas. The tissue partition coefficients were used to calculate the relative tissue radiation dose, assuming exposure conditions equivalent to the maximum permissible concentration in air (MPC)a. The estimated radiation dose was highest in adrenals and body fat, about twice the dose estimated for the next highest tissue, ovaries. Saturation and desaturation curves show that the contents of the large intestines have a prolonged desaturation time compared to other samples analyzed.

Energy Technology Data Exchange (ETDEWEB)

Equations are compiled for thermal balance in which for simplification, no consideration is made for heat conductivity along the axis of the cable and dependence of losses, heat capacitance and heat conductivity on temperature. Equations are modeled on a transistor analog calculator 42 TA. The solution to the task on the computer produced values of maximum temperature on the cable and coordinates of the point of maximum overheating. Using the analog model, one can study other parameters of the thermal mode.

Science.gov (United States)

Henry constants for the adsorption of o- and p-phenylenediamines on the surface of graphitized thermal carbon black within the temperature range 433-479 K were calculated by the molecular statistical method. The parameters of the atom-atom potential function of intermolecular interaction between the nitrogen atom in aniline and isomeric phenylenediamines and the carbon atom of the basal face of graphite were determined. It was shown that an intramolecular H bond influenced the geometry and adsorption properties of o-phenylenediamine.

Science.gov (United States)

In this paper the thermal equilibrium number of solitons in DNA as a function of absolute temperature and the number of base pairs is calculated. These calculations are effected by modeling DNA as a Toda lattice with parameters chosen to match experimentally measured properties of DNA. It is found that a significant number of solitons is generated at physiological temperature. 23 refs., 2 figs.

International Nuclear Information System (INIS)

The binding energy parameter #lambda# plays an important role in common envelope evolution. Previous works have already pointed out that #lambda# varies throughout the stellar evolution, though it has been adopted as a constant in most of the population synthesis calculations. We have systematically calculated the binding energy parameter #lambda# for both Population I and Population II stars of masses 1-20 M _s_u_n, taking into account the contribution from the internal energy of stellar matter. We present fitting formulae for #lambda# that can be incorporated into future population synthesis investigations. We also briefly discuss the possible applications of the results in binary evolutions.

British Library Electronic Table of Contents (United Kingdom)

IntroductionMost clinical studies on the outcome of apical surgery concentrate on periapical healing based on radiographic and clinical characteristics (signs and symptoms). This study focuses on long-term changes in periodontal parameters after apical surgery. MethodsPeriodontal parameters (ie, probing depth [PD], level of gingival margin [GM], and calculated clinical attachment level [CAL]) were collected at baseline and at 1 and 5 years after apical surgery. Changes in PD, GM, and CAL were calculated over time and were also evaluated in relation to patient-, tooth-, and treatment-related covariables. ResultsOne hundred eighty-six of 242 initially identified teeth could be evaluated. Significant changes in GM and CAL were observed at facial sites during the first year after surgery (mean...

Science.gov (United States)

Electron collisional data are required for population kinetics modeling and spectral predictions of highly ionized ions in high-temperature plasmas. Nickel-like ions are especially interesting for their potential use in soft X-ray laser schemes pumped by electron collisional excitation and recombination. For highly stripped ions of moderate to high Z, relativistic effects begin to play a role in the atomic-physics calculations. A relativistic multiconfigurational distored-wave model has been used for the calculation of electron excitation cross sections and rate coefficients between the 3s2 3p6 3d10 Ni-like Gd ground state and the singly excited states with an N-shell electron.

International Nuclear Information System (INIS)

The LWR fuel performance analysis computer code, FRAPCON-1, are evaluated to investigate the performance of CANDU fuel elements loaded in Wolsung-1 reactor. The FRAPCON-1 models of neutron flux depression in fuel and of fuel-to-cladding heat transfer are modified, and the validity of fission gas release model for CANDU fuel is evaluated. And the heavy water properties are provided in calculating the heat transfer coefficient between cladding and coolant. By using the modified code, FRAPCON-1-CSK, the sensitivity studies are carried out for Wolsung-1 fuel element design parameters. The performance analysis is also performed for Wolsung-1 fuel elements. The calculated results are discussed in terms of LWR fuel design criteria because of unavailability of CANDU fuel design criteria. (Author).

International Nuclear Information System (INIS)

An efficient adsorption process is developed for the decontamination of trivalent chromium from tannery effluents. A low cost activated carbon (ATFAC) was prepared from coconut shell fibers (an agricultural waste), characterized and utilized for Cr(III) removal from water/wastewater. A commercially available activated carbon fabric cloth (ACF) was also studied for comparative evaluation. All the equilibrium and kinetic studies were conducted at different temperatures, particle size, pHs, and adsorbent doses in batch mode. The Langmuir and Freundlich isotherm models were applied. The Langmuir model best fit the equilibrium isotherm data. The maximum adsorption capacities of ATFAC and ACF at 25 deg. C are 12.2 and 39.56 mg/g, respectively. Cr(III) adsorption increased with an increase in temperature (10 deg. C: ATFAC-10.97 mg/g, ACF-36.05 mg/g; 40 deg. C: ATFAC-16.10 mg/g, ACF-40.29 mg/g). The kinetic studies were conducted to delineate the ...

Energy Technology Data Exchange (ETDEWEB)

Effects of PbO on the repassivation kinetics of alloy 690TT were examined using the rapid scratching electrode technique under a potentiostatic condition to elucidate the influence of PbO on SCC resistance of the alloy. The repassivation kinetics of the alloy was analyzed in terms of the current density flowing from the scratch, i(t), as a function of the charge density that has flowed from the scratch, q(t). Repassivation on the scratched surface of the alloy occurred in two kinetically different processes; passive film initially nucleated and grew according to the place exchange model in which log i(t) is linearly proportional to q(t) with a slope of 1/K, and then grew according to the high field ion conduction model in which log i(t) is linearly proportional to 1/q(t) with a slope of cBV. 1/K and cBV are parameters representing the SCC susceptibility as well as repassivation rate of the alloy at an ...

International Nuclear Information System (INIS)

Human Hb, the monomeric Hb of Glycera dibranchiata and horse Mb were modified by replacement of the protoheme with 2,4-dibromodeuteroheme. Following neutron capture by "7"9Br and "8"1Br, the locations of radioactive Br were determined. Although human Hb had approximately four times the mass and volume of the other proteins, about 9% of the activated Br was inserted into each of the three globins. These results suggest that the insertion is short-range (within 15 angstrom) and that this method could be used to label target sites in various proteins and other biological structures. Carp Hb's containing proto-, meso-, deutero- and dibromoheme were prepared. Kinetic and thermodynamic parameters for oxygen and CO binding were determined at Ph 6 (+IHP) (T-state, low-affinity protein) and Ph 9 (R-state, high-affinity protein). Parameters for the binding of oxygen and CO were related to the properties of the four hemes to estimate ...

CERN Document Server

This contribution deals with identification of fractional-order dynamical systems. System identification, which refers to estimation of process parameters, is a necessity in control theory. Real processes are usually of fractional order as opposed to the ideal integral order models. A simple and elegant scheme of estimating the parameters for such a fractional order process is proposed. This method employs fractional calculus theory to find equations relating the parameters that are to be estimated, and then estimates the process parameters after solving the simultaneous equations. The said simultaneous equations are generated and updated using particle swarm optimization (PSO) technique, the fitness function being the sum of squared deviations from the actual set of observations. The data used for the calculations are intentionally corrupted to simulate real-life conditions. ...

Energy Technology Data Exchange (ETDEWEB)

Abstract not provided

Energy Technology Data Exchange (ETDEWEB)

Ultraviolet (UV) photoirradiation of Ag(I) compounds in the presence of an aqueous Triton X-100 solution has been exploited for the first time to prepare reproducible yellow silver hydrosol. The evolution of nanosized silver particles has been examined critically under the influence of different anions/ligands. Hence, time dependent evolution of silver hydrosol from different silver compounds in micelle via photochemical reduction is observed. Anions/ligands of precursor salts have been found to show profound influence (due to electron scavenging property, solubility, stability etc.) on the evolution route and efficiency of photochemical reduction of Ag(I) to Ag(O) in micelle and thereby classification of silver compounds becomes possible. Kinetic results reveal that the formation of silver particles proceeds via autocatalytic growth mechanism. The observed variation in rate constant values for the evolution of nanoparticles from different silver compounds have ...

International Nuclear Information System (INIS)

The kinetics of oxidation of uranium (IV) monofluoride complex by nitrous acid in nitric acid solution have been studied. The experiments were carried out at constant ionic strength of 2M (HNO_3 and NaNO_3) and temperature in the range of 18-47 deg C. The rate of reaction was determined spectrophotometrically at a wavelength of 621 nm, at which the molar extinction coefficients of UF"3"+ and UF_2"2"+ are the same. It was shown that reaction orders for [HNO_2] and [HNO_3] are equal to 0.12 and 0.39, respectively. The values of activation parameters #DELTA#H"#not =# and #DELTA#S"#not =# are determined to be 83 kJ mol"-"1 and 75 J (mol.K)"-"1, respectively. The rate order of the reaction studied has a weak direct depedence on [H"+] in contrary to the strong and reverse dependence in the absence of fluoride ions. In conclusion, fluoride ions may strongly stabilize the U(IV) in nitric acid solutions. (author) 4 refs.; 3 figs.; 2 tabs.

Energy Technology Data Exchange (ETDEWEB)

Previously we have used atomic force anodisation lithography, with a self-assembled monolayer of hexadecyltrichlorosilane as a resist, to pattern silicon oxide nanostructures onto a p-type silicon (1 0 0) substrate. A condensation reaction was used to immobilise carbon nanotubes with high carboxylic acid functionality directly to the silicon oxide. A further condensation reaction using this surface attached the molecule ferrocenemethanol to the bound nanotubes. These new nanostructures were used as electrodes to observe the oxidation and reduction of ferrocene. However, because the small currents measured are near the detection limits of the electrochemical system used, important electrode kinetics could not to be obtained. A scribing approach made larger regions of oxidised silicon leading to the creation of larger scale patterned arrangements of carbon nanotubes allowing measurement of important electrochemical parameters such as electrode ...

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The ability of white-rot fungus, Pycnoporus sanguineus to adsorb copper (II) ions from aqueous solution is investigated in a batch system. The live fungus cells were immobilized into Ca-alginate gel to study the influence of pH, initial metal ions concentration, biomass loading and temperature on the biosorption capacity. The optimum uptake of Cu (II) ions was observed at pH 5 with a value of 2.76 mg/g. Biosorption equilibrium data were best described by Langmuir isotherm model followed by Redlich-Peterson and Freundlich models, respectively. The biosorption kinetics followed the pseudo-second order and intraparticle diffusion equations. The thermodynamic parameters enthalpy change (10.16 kJ/mol) and entropy change (33.78 J/mol K) were determined from the biosorption equilibrium data. The FTIR analysis showed that -OH, -NH, C-H, C=O, -COOH and C-N groups were involved in the biosorption of Cu (II) ions onto immobilized cells of P. sanguineus. ...

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.

International Nuclear Information System (INIS)

Measurements of alpha spectra in the (n, #alpha#) reactions induced on /sup 90,91/Zr at 14.3 and 18.15 MeV incident neutron energy are presented. A microscopic calculation of these spectra has been made using both pick-up and knock-on theories, and in both cases only one overall normalizing factor, which is the same for the two target nuclei and incident energies and all the considered transitions, appears as a free parameter in the calculation. Pick-up calculations provide a very satisfactory reproduction of the data. Knock-on calculations reproduce many qualitative features of the measured spectra, but do not allow a fully satisfactory reproduction of them. While the results obtained do not exclude knock-on contributions to these reactions, their presence is not established.

International Nuclear Information System (INIS)

The transfer kinetics of the negatively charged glycosphingolipid II"3-N-acetylneuraminosyl-gangliotetraosylceramide (GM_1) were investigated by monitoring tritiated GM_1 movement between donor and acceptor vesicles. After appropriate incubation times at 45 "0C, donor and acceptor vesicles were separated by molecular sieve chromatography. Donors were small unilamellar vesicles produced by sonication, whereas acceptors were large unilamellar vesicles produced by either fusion or ethanol injection. Initial GM_1 transfer to acceptors followed first-order kinetics with a half-time of about 40 h assuming that GM_1 is present in equal mole fractions in the exterior and interior surfaces of the donor vesicle bilayer and that no glycolipid flip-flop occurs. GM_1 net transfer was calculated relative to that of ["1"4C]cholesteryl oleate, which served as a nontransferable marker in the donor vesicles. Factors affecting the GM_1 ...

International Nuclear Information System (INIS)

Research highlights: ? We model power oscillations in boiling water reactors using a lumped parameter model. ? The nature and amplitudes of oscillations is obtained using a nonlinear analysis. ? The method of multiple scales has been used for the analytical treatment. ? Fuel temperature coefficient of reactivity determines the nature of oscillations. ? The presented systematic method of analysis useful for reduced order reactor models. - Abstract: In this paper, we perform a parametric study of the nonlinear dynamics of a reduced order model for boiling water reactors (BWR) near the Hopf bifurcation point using the method of multiple scales (MMS). Analysis has been performed for general values of the parameters, but the results are demonstrated for parameter values of the model corresponding to the advanced heavy water reactor (AHWR). The neutronics of the AHWR is modeled using point reactor kinetic ...

Energy Technology Data Exchange (ETDEWEB)

Since the earliest papers on undulaters were published, it has been known how to calculate the spontaneous emission spectrum from ''short'' undulaters when the magnetic field strength parameter is small compared to unity, or in ''single'' frequency sinusoidal undulaters where the magnetic field strength parameter is comparable to or larger than unity, but where the magnetic field amplitude is constant throughout the undulater. Fewer general results have been obtained in the case where the insertion device is both short, i.e., the magnetic field strength parameter changes appreciably throughout the insertion device, and the magnetic field strength is high enough that ponderomotive effects, radiation retardation, and harmonic generation are important physical phenomena. In this paper a general method is presented for ...

International Nuclear Information System (INIS)

In this thesis the rate constants for a number of radical reactions in aqueous solution have been studied in a wide temperature range. The reactions of H with H_2O_2, OH and HO_2 and the reactions of HO_2 with OH, Fe"2"+ and Cu"2"+ have been studied. For each reaction rate constants have been determined as a function of temperature using the technique of high temperature, high pressure (HTP) pulse radiolysis. The rate constants were obtained by fitting a kinetic computer model to the experimental data. From an Arrhenius plot the activation energy of each reaction was determined. The data determined in this way are important for modeling of radiolysis in nuclear light water reactors. A previously developed model for calculation of the effect of water radiolysis products on oxidation and dissolution of spent nuclear fuel has been improved. In the new model, called TraRaMo, simultaneous transport by diffusion and chemical reactions induced by ...

Energy Technology Data Exchange (ETDEWEB)

In order to avoid the use of catalysts in the process of auto-thermal reforming, it is possible to adopt a running at high temperature. In this study are presented the results of simulations of an auto-thermal/recuperator hybrid reforming system; these results are obtained with the oxidation model of alkanes developed by Ranzi and Faravelli. An isothermal configuration at high temperature improves the hydrogen yield and avoids the formation of soots. The analysis of the powers to be furnished to assure such an experimental mode, and the global approach of the fuel cell system show that the management of the heat exchanges is a key parameter in this process. (O.M.)

International Nuclear Information System (INIS)

The thermoluminescence (TL) and emission of coloured RbCl and RbCl:Sn crystals are studied in the temperature range 300 to 560 K. The glow peaks responsible for F centres and tin centres in different valence states are identified using optical bleaching studies. The glow peaks are analysed using total curve fitting method and the kinetic parameters are determined. In moderately #gamma#-irradiated tin-doped RbCl crystals, the TL emission bands observed at 4.0, 3.6, and 2.2 eV are attributed to Sn"0, Sn"+, and Sn"- centers, respectively. A comprehensive energy level diagram depicting the various TL processes in these undoped and tin-doped RbCl crystals is proposed. (author).

Energy Technology Data Exchange (ETDEWEB)

Several kinds of catalysts for coal liquefaction were analysed by means of high pressure differential thermal analysis (DTA). The activity order is as follows: Fe(OH)/sub 3/.Ni(OH)/sub 2/ > 3665 > Fe(OH)/sub 3/.MoO/sub 3/ > Jin Chuan Mineral > concentrated pyrite > Japan red-mud approx. equal to Fe(OH)/sub 3/.CuO approx. equal to no catalyst. If the catalysts are promoted by sulphur., the activity order is 3665 + S > Fe(OH)/sub 3/.Ni(OH)/sub 2/ + S > Fe(OH)O/sub 33/ + S > Japan red mud + S > Fe(OH)O/sub 3/.CuO + S > no catalyst. The kinetic parameters of three catalysts commonly used in the liquefaction of coal were determined.

Energy Technology Data Exchange (ETDEWEB)

The oxidation of carbon black, CB, in presence of CeO{sub 2} is investigated to gain a better understanding of the effect of the contact between the two solids during this reaction. Different CB/CeO{sub 2} mixtures are tested in a fixed bed reactor. The experimental data are used to propose a model for CB oxidation in presence of CeO{sub 2}. It accounts for the size distribution of CeO{sub 2} particles, the contact area between CB and CeO{sub 2}, the mass of CB in the sample and the initial ratio CB/CeO{sub 2}. Corresponding kinetic parameters are determined. 35 refs., 10 figs., 3 tabs.

CERN Document Server

Numerical simulations are used to test the kinetic theory constitutive relations of inertial granular shear flow. These predictions are shown to be accurate in the dilute regime, where only binary collisions are relevant, but underestimate the measured value in the dense regime, where force networks of size $\\xi$ are present. The discrepancy in the dense regime is due to non-collisional forces that we measure directly in our simulations and arise from elastic deformations of the force networks. We model the non-collisional stress by summing over all paths that elastic waves travel through force networks. This results in an analytical theory that successfully predicts the stress tensor over the entire inertial regime without any adjustable parameters.

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In this work, a comprehensive model has been developed for the absorption of carbon dioxide into promoted hot potassium carbonate solution. The model, which is based on penetration theory, incorporates an extensive set of important reactions and takes into account the coupling between mass transfer and chemical kinetics. The penetration theory provides an appropriate absorption rate and enhancement factor for the chemical absorption. Operating data for carbon dioxide absorption into DEA-hot potassium carbonate solution has been compared with model predictions. The impact of parameters such inlet temperature of lean solution, promoter concentration, liquid split fraction, hot feed location and type of promoter on the performance of a split-flow absorber have been examined. The use of other promoters is an efficient way to enhance the carbon dioxide absorption, which has been discussed in this paper.

CERN Document Server

We study the ground state of an ideal coupled two-component gas of ultracold atoms in a one dimensional optical lattice, either bosons or fermions. Due to the internal two-level structure of the atoms, the Brillouin zone is twice as large as imposed by the periodicity of the lattice potential. This is reflected in the Bloch dispersion curves, where the energy bands regularly possess several local minima. As a consequence, when the system parameters are tuned across a resonance condition, a non-zero temperature topological first order phase transition occurs which arises from an interplay between initernal and kinetic atomic energies. It is shown that these phenomena are also captured for two and three dimensional optical lattices.

Energy Technology Data Exchange (ETDEWEB)

A multi-zone computational model in conjunction with some engine tests are used to examine the combustion process of gas fueled diesel engines common known as dual fuel engine to provide information about details of the production of exhaust emissions, especially at light load when very lean mixtures are employed. Detailed chemical reaction kinetic simulation is employed for each of these individual combustion zones so as to establish the associated temporal variations in the concentrations of reacting species right to the exhaust stage. The influence of changes in major operating and design parameters such as the concentration of the gaseous fuel in the cylinder charge, intake temperature and the size of the diesel pilot fuel employed on the production of the exhaust emissions are examined. It is demonstrated in general that any measure that tends to increase the size of the combustion regions within the overly lean cylinder charge will reduce ...

British Library Electronic Table of Contents (United Kingdom)

An examination of the kinetics of the alkylation of anisole with 1-hexene and 1-hexanol to produce alkylates over zeolite H-beta is presented. Anisole alkylation is found to occur by a set of parallel reactions when hexene is used as the alkylating agent. When hexyl alcohol is the alkylating agent, the reaction follows a multi-step parallel-series mechanism to form monoalkylates and dihexylether. With 1-hexene, a group of isomeric alkylates, viz., ortho-2-hexyl anisole (2-OHA), ortho-3-hexyl anisole (3-OHA), para-2-hexyl anisole (2-PHA), and para-3-hexyl anisole (3-PHA) was obtained. With hexanol, the olefin (hexene) and dihexyl ether were obtained additionally. The influence of process parameters like temperature, catalyst quantity, and alkylating agent on reaction behavior is reported.

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The present paper investigates the peristaltic transport of a couple stress fluid in an asymmetric channel with the effect of the induced magnetic field. The exact solutions of momentum and the magnetic field equations have been calculated under the assumptions of long wave length and low but finite Reynolds number. The expression for pressure rise has been computed numerically using mathematics software Mathematica. The graphical results have been presented to discuss the physical behavior of various physical parameters of interest. Finally, the trapping phenomena have been discussed for various physical parameters. (orig.)

International Nuclear Information System (INIS)

This study describes the formulations to optimize the time interval of inspections and/or replacements of equipment/parts taking into account the probability density functions (PDF) for failure rates and parameters of failure distribution functions (FDF) and evaluates the optimized results of these time intervals using our formulations by comparing with those using only representative values of failure rates and the parameters of FDF instead of using these PDFs. The PDFs are obtained with Bayesian method and the representative values are obtained with likelihood estimation method. However, any significant difference is not observed between both optimized results within our preliminary calculations. (author)

International Nuclear Information System (INIS)

It may be stated that for the calculation of the heat transfer coefficients for natural convection cooling of large-diameter finned surfaces it is necessary to take in consideration the effects of the fin length, fin material and of the azimuthal angle around the cylinder. The present results replace earlier less accurate correlations gained from the same measurements. The new, better correlation was elaborated with the aid of the improved method of evaluation of multiple parameters of a measurement matrix of multiple dimension (one dimension for each parameter), rendering the sum of the squares error a minimum at the same time for the complete matrix. 5 references.

International Nuclear Information System (INIS)

With a computerized curve fitting method the trapping parameters of TLD-100 chips were calculated after #alpha#-, #beta#- and #gamma#-irradiation. The absorption of radiation produces an additional glow peak at 250 deg C, and the dominant one arises at 280 deg C. After the analysis of the glow curves only a little LET-dependence of the trap depths and that of the half widths was detected. The charge densities after irradiation before heating of the taps responsible for the high temperature glow peaks (T>240 deg C) show a LET-dependence. (author).

International Nuclear Information System (INIS)

The temperature dependences of the Grueneisen parameter, heat capacity, bulk modulus and linear thermal expansion coefficient of sixteen III-V zincblende compounds are studied by first-principles response-function calculations. The fundamental relationships among these physical parameters are explored. Negative thermal expansions at lower temperature are found in most of these III-V phases except for the nitrides and boron compounds. By analyzing the cell-volume dependences of the phonon spectrum, it is found that the phases with a negative thermal expansion show a significant acoustic phonon weakening at the X-point in their phonon dispersion, while slight weakening is only seen around the L-point for those boron phases. There is no sign of phonon weakening in the nitrides. (copyright 2009 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Energy Technology Data Exchange (ETDEWEB)

We suggest a procedure for estimating uncertainties in neutron cross sections calculated with a nuclear model descriptive of a specific mass region. It applies standard error propagation techniques, using a model-parameter covariance matrix. Generally, available codes do not generate covariance information in conjunction with their fitting algorithms. Therefore, we resort to estimating a relative covariance matrix a posteriori from a statistical examination of the scatter of elemental parameter values about the regional representation. We numerically demonstrate our method by considering an optical-statistical model analysis of a body of total and elastic scattering data for the light fission-fragment mass region. In this example, strong uncertainty correlations emerge and they conspire to reduce estimated errors to some 50% of those obtained from a naive uncorrelated summation in quadrature. 37 references.

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 ...

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The calculations of the photodetachment cross section for the C{sup -} negative ion has been performed within the newly-developed many-body theory method, the RPAE interchannel interaction and dynamic relaxation and polarization corrections being included. The 2s{sup 1}2p{sup 4} shape resonance is shifted to a higher photon energy and broadens as compared to the resonance parameters determined earlier within the RPAE, which is consistent with the experimental evidence and the recent R-matrix calculations. (orig.) 18 refs.

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Neutron spectra measured in the FFTF In-Reactor Thimble (IRT) by proton recoil proportional counters, proton recoil emulsions, and passive dosimeters have been evaluated and compared with each other and with three-dimensionl diffusion theory calculated spectra for the purpose of validating the passive dosimeter spectrum adjustment technique. The least squares data adjustment code, FERRET, was used to combine measured reaction rates, calculated spectra, and dosimeter cross sections, resulting in adjusted spectra and cross sections with uncertainties and correlations that properly account for uncertainties and correlations on the input parameters.

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The capability of screen-film combinations of detection and representation of information is described by the detective quantum efficiency (DQE). The DQE may be calculated from the sensitivity, the gradient of the characteristic curve, the modulation transfer function and the Wiener spectrum. These parameters have been determined for fourteen screen-film combinations and the DQE's have been calculated. It is shown that the low frequency region the DQE does not depend on spatial frequency. This constant level of DQE is mostly dependent on the absorbance of the screens. Consequences from this fact, as well for the manufacturer as for the user of the screens, are discussed.

International Nuclear Information System (INIS)

In the case of inelastic scattering of alpha particles to the 3"+ state, the averaged angular distributions show a characteristic shape, corresponding to the excitation of such an unnatural parity state by alpha particles in the compound nucleus process. The modified Hauser-Feshbach cross-section calculations give a good description of the averaged distributions for the alpha particle scattering to the 3"+ state and the compound nucleus parameters could be extracted. The calculations of the compounds nucleus contributions to the other states in the case of 24 MeV alpha particle scattering from "2"8Si show that this contribution is not negligible and in the case of the scattering to the 4"+ state seems to be dominant. (Z.M.).

British Library Electronic Table of Contents (United Kingdom)

Abstract Copper(II) bis(thiosemicarbazone) are very useful for blood flow and hypoxic imaging. The aim of this study was to identify structure-activity relationships (SARs) within a series of analogues with different substitution patterns in the ligands, in order to design improved hypoxia imaging agents and elucidate hypoxia selectivity mechanisms. Genetic algorithms (GAs) were used to develop specific copper metal-ligand force field parameters for the MM3 force-field calculations. These new parameters produced results in good agreement with experiment and previously reported copper metal-ligand parameters. A successful quantitative SAR (QSAR) for predicting the several classes of Cu(II)-chelating ligands was built using a training set of 21 Cu(II) complexes. The QSAR exhibited a correlat...

Energy Technology Data Exchange (ETDEWEB)

In order to suppress resonance vibrations of a rotor-shaft of rotating machinery, a rotor-shaft system elastically supported by ball bearings which are installed in electromagnetic actuators are proposed and the design method of some compensatory circuits in the controller to control the electromagnetic actuators in the system are explained. These actuators are controlled by the analog PID (proportional, integral, and derivative) controller. The compensation for nonlinearity of electromagnetic force, the negative stiffness of electromagnet, and the time lag of the coil current are discussed and the effective control circuits are proposed. The rotor-shaft system is replaced by the equivalent two-degree-of-freedom system and both impulse and frequency responses are numerically simulated for several parameters of PD-controller gain. By applying the principle of dynamic absorbers, optimum parameters are calculated. The gains of ...

International Nuclear Information System (INIS)

Experimental data on A-15 binary phases (the lattice parameter dependence on composition, phase diagrams, etc.) have been considered and the so-called ''compounds with A-15 structure'' are shown to be solid solutions of element substitution in the structure of A-15 type. Values of lattice parameter and atomic volume of A-15 modifications for 21 elements have been obtained (for Zr, W, Nb, Mo, V in particular). There has been shown the possibility of calculation of atomic volumes and lattice parameters of A-15 binary phases at the lack of direct experimental data. The essential role of atomic volume relations of different phases has been observed for the estimation of stability conditions of A-15 phase.

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A new stem taper function was established for individual trees of two poplar hybrid clones grown on a short-rotation coppice. The model could be easily fitted and required three parameters to be estimated. It can be used to estimate both diameter at a given height and height for a given top diameter. Two of the three parameters controlled the conical and the neiloid parts of the stem. Significant differences in these parameters were observed between the two clones even if no differences were observed for diameter at breast height or total height of the stem. The model could not be integrated to calculate volumes (total volume, merchantable volume), which were estimated by numerical integration. However, use of this new model allows the optimal length of billets to be determined and thus maximizes the merchantable biomass of poplar in short-rotation coppice by minimizing the biomass of residues.

International Nuclear Information System (INIS)

A numerical and experimental investigation is carried out in a solar thermochemical reactor for the thermal dissociation of ZnO at 2000 K using concentrated solar energy. The reactor consists of a cavity-receiver lined with ZnO particles and directly exposed to high-flux irradiation. A transient heat transfer model is formulated to link the rate of radiation, convection, and conduction heat transfer to the reaction kinetics. The radiosity and Monte Carlo methods are applied to obtain the distribution of net radiative fluxes at the internal surfaces of the reactor cavity and at the surface of the ZnO bed. Validation is accomplished in terms of the calculated and measured transient temperature profiles and chemical reaction rates.

International Nuclear Information System (INIS)

We present results from a kinetic Monte Carlo simulation of boron transient enhanced diffusion (TED) in silicon. Our approach avoids the use of phenomenological fits to experimental data by using a complete and self-consistent set of values for defect and dopant energetics derived mostly from ab initio calculations. The results predict that, during annealing of 40 keV B-implanted Si at 800 degree C, there exists a time window during which all the implanted boron atoms are substitutional. At earlier or later times, the interactions between free silicon self-interstitials and boron atoms drive the growth of boron clusters and result in an inactive boron fraction. The results show that the majority of boron TED takes place during the growth period of interstitial clusters and not during their dissolution. copyright 1998 American Institute of Physics.

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The validity is given to the newly proposed two weighting {delta}f scheme (Wang et al., Research Report of National Institute for Fusion Science NIFS-588, 1999) for collisional or neoclassical transport calculations, which can solve the drift kinetic equation taking account of effects of steep plasma gradients, large radial electric field, finite banana width, and the non-standard orbit topology near the axis. The marker density functions in weight equations are successively solved by using the idea of {delta}f method and a hierarchy of equations for weight and marker density functions is obtained. These hierarchy equations are solved by choosing an appropriate source function for each marker density. Thus the validity of the two weighting {delta}f scheme is mathematically proved. (author)

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A dynamic control rod worth measurement was performed for control bank D, C, B, and A of Yonggwang unit 1 cycle 14 during its low power physics test. MASTER was used for three-dimensional core kinetics calculations required to convert excore detector signal into static rod worth, using the same modeling and cross sections as ANC which was used for the core static design. A signal curve fitting method was proposed to solve a low signal problem due to large amount of rod worth, which leads to the distortion of resulting static worth. The static worths measured in this test well agreed with the predicted worth of design within {+-}15% which is a test requirement of rod worth measurement.

International Nuclear Information System (INIS)

We present results of multiple-time-scale simulations of 5, 10 and 15 keV low temperature ion implantation of arsenic on silicon (100), followed by high temperature anneals. The simulations start with a molecular dynamics (MD) calculation of the primary state of damage after 10ps. The results are then coupled to a kinetic Monte Carlo (MC) simulation of bulk defect diffusion and clustering. Dose accumulation is achieved considering that at low temperatures the damage produced in the lattice is stable. After the desired dose is accumulated, the system is annealed at 800 degrees C for several seconds. The results provide information on the evolution for the damage microstructure over macroscopic length and time scales and affords direct comparison to experimental results. We discuss the database of inputs to the MC model and how it affects the diffusion process.

British Library Electronic Table of Contents (United Kingdom)

Derivative spectrophotometry and bivariate calibration algorithm were used for study of run of photooxidation of levomepromazine hydrochloride (LV). The actual concentrations of LV and its main degradation product levomepromazine sulphoxide (LV-SO) were calculated using data provided by applied methods. The direct reading of absorbance values at 302nm and 334nm were employed for quantification of LV and LV-SO, respectively, in the case of bivariate method. The derivative spectrophotometric method is based on transformation of zero-order spectra into first derivative. The values of first derivative at 334nm were used for quantification of LV while at 278nm for assay of LV-SO. The obtained quantitative data were applied for investigation of kinetics of photodegradation of LV.

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Heat fusion is the most common joining method for polyethylene gas distribution piping. Butt fusion was studied with the intent of relating the quality of the joint to the joining conditions. A semi-empirical approach was used. The thermofluid consequences of joining conditions such as heater temperature, heating time and joining parameter were calculated using a computer model. The model was validated by instrumented tests. The strength of the joints was gauged by destructive mechanical testing. Tensile and tensile impact tests were used. Over 150 joints were fabricated using four different polyethylene resins. Most of the data are given in GRI Report No. 88/0276.2 -- Volume 2: Technical Reference on Butt Heat Fusion Joining of Polyethylene Gas Pipes. A parameter, termed the Joining Parameter, was found to characterize the joining conditions. Of the mechanical tests parameters, the ...

Energy Technology Data Exchange (ETDEWEB)

Heat fusion is the most common joining method for polyethylene gas distribution piping. Butt fusion was studied with the intent of relating the quality of the joint to the joining conditions. A semi-empirical approach was used. The thermofluid consequences of joining conditions such as heater temperature, heating time and joining parameter were calculated using a computer model. The model was validated by instrumented tests. The strength of the joints was gauged by destructive mechanical testing. Tensile and tensile impact tests were used. Over 150 joints were fabricated using four different polyethylene resins. Most of the data are given in GRI Report No. 88/0276.2 -- Volume 2: Technical Reference on Butt Heat Fusion Joining of Polyethylene Gas Pipes. A parameter, termed the Joining Parameter, was found to characterize the joining conditions. Of the mechanical tests parameters, the ...

CERN Document Server

Using the recently developed effective field theory of inflation, we argue that the size and the shape of the non-Gaussianities generated by single-field inflation are generically well described by two parameters: f_NL^equil, which characterizes the size of the signal that is peaked on equilateral configurations, and f_NL^orthog, which instead characterizes the size of the signal which is peaked both on equilateral configurations and flat-triangle configurations (with opposite signs). The shape of non-Gaussianities associated with f_NL^orthog is orthogonal to the one associated to f_NL^equil, and former analysis have been mostly blind to it. We perform the optimal analysis of the WMAP 5-year data for both of these parameters. We find no evidence of non-Gaussianity, and we have the following constraints: -125 0.011 at 95% CL. or alternatively to be so small that the higher-derivative kinetic term dominate at horizon ...

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R-matrix analyses of neutron-induced reactions for many of the lightest p-shell nuclei are difficult due to a lack of distinct resonance structure in the reaction cross sections. Initial values for the required R-matrix parameters, E,sub(lambda) and ..gamma..sub(lambdac) for states in the compound system, can be obtained from shell model calculations. In the present work, the results of recent shell model calculations for the lithium isotopes have been used in R-matrix analyses of /sup 6/Li+n and /sup 7/Li+n reactions for E sub(n) < 8 MeV. Consequences of the shell model predictions for the level structure of /sup 7/Li and /sup 8/Li on the /sup 6/Li+n and /sup 7/Li+n reaction mechanisms and cross sections are discussed.

International Nuclear Information System (INIS)

We consider the electron-positron pair creation by a photon in an external constant electric field. The presented treatment is based on a purely quasiclassical calculation of the imaginary part of the on-shell photon polarization operator. By using this approach we find the pair production rate for photons with polarization parallel as well as orthogonal to the external electric field in the leading order in the parameter eE/m"2, which has been recently found by other methods. For the orthogonal polarization we also find a new contribution to the rate, which is leading in the ratio of the photon energy to the electron mass #omega#/m. We also reproduce by a purely geometrical calculation the exponential factor in the probability of the stimulated pair creation at arbitrary energy of the photon.

International Nuclear Information System (INIS)

We have calculated the electronic structure of Eu for the bcc, hcp, and fcc crystal structures for volumes near equilibrium up to a calculated 90 GPa pressure using the augmented-plane-wave method in the local-density approximation. The frozen-core approximation was used with a semi-empirical shift of the f-states energies in the radial Schroedinger equation to move the occupied 4f valence states below the #GAMMA#_1 energy and into the core. This shift of the highly localized f-states yields the correct europium phase ordering with lattice parameters and bulk moduli in good agreement with experimental data. The calculated superconductivity properties under pressure for the bcc and hcp structures are also found to agree with and follow a T_c trend similar to recent measurement by Debessai et al.

International Nuclear Information System (INIS)

The energy levels scheme of octahedrally coordinated Ni2+ ion in single crystal, powder nano-single crystal, ceramics and glass-ceramics of MgGa2O4 host matrix, has been calculated in the exchange charge model of crystal field. The parameters of the crystal field acting on the Ni2+ ion are calculated from the crystal structure data, after optimization of the geometry of the system. The energy level schemes have been calculated by diagonalization of the crystal field Hamiltonian of this system. The obtained results were compared with experimental data; a good agreement were demonstrated, which confirm the validity of the model and used method.

Energy Technology Data Exchange (ETDEWEB)

The adsorption behavior of crystal violet (CV{sup +}) from aqueous solution onto raw (RB) and manganese oxide-modified (MMB) bentonite samples was investigated as a function of parameters such as initial CV{sup +} concentration, contact time and temperature. The Langmuir, Freundlich and Dubinin-Radushkevich (D-R) adsorption models were applied to describe the equilibrium isotherms. The Langmuir monolayer adsorption capacities of RB and MMB were estimated as 0.32 and 1.12 mmol/g, respectively. The mean adsorption energy derived from D-R isotherm for MMB showed that the type of adsorption of dye molecules on this material may be defined as chemical adsorption. The adsorption rate was fast and more than half of the adsorbed-CV{sup +} was removed in the first 55 min for RB and 5 min for MMB at the room temperature. The pseudo-first-order, pseudo-second-order kinetic and the intraparticle diffusion models were used to describe the ...

Science.gov (United States)

It is shown that the extended softening in k space of the [111] transverse acoustic phonon in Nb3Sn seen recently by neutron measurements is in agreement with the predictions of a phenomenological Landau description of the structural phase transition in the A-15 compounds. This indicates the feasibility of a calculation of the partial phonon density of states of modes directly coupled to the order parameter driving the structural transition, as a function of temperature.

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The authors calculate the effective potential for the bosonic sector of eleven-dimensional supergravity on the background (Minkowski) x (sphere). No tachyons are found, and it is shown that the antisymmetric tensor field does not threaten graviton dominance when the Freund-Rubin parameter (m) vanishes. The general case (m not = O) seems untractable in the present formalism.

British Library Electronic Table of Contents (United Kingdom)

The thermodynamic characteristics of adsorption of sulfur-containing amino acids and their derivatives on the surface of graphitized thermal carbon black were calculated by the molecular statistical method. The parameters of the atom-atom potential function of intermolecular interaction between the S atom in amino acids and the graphite C atom were determined. It was shown that an intramolecular H-bond influenced the adsorption of amino acids on the surface of graphitized thermal carbon black.

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Calculations have been performed to study the dependence on model parameters of convectively heating the region interior to the core convection zone for core helium flash models. We find that interior heating always occurs on a time scale significantly shorter than the evolutionary time scale even at the peak of the flash.

British Library Electronic Table of Contents (United Kingdom)

Parameters of the vortex air flow in an isothermal model of the cyclone chamber are studied. The effect of the air velocity in nozzles on the values and character of the distribution of pressure and tangential and longitudinal velocities of air in the chamber is determined. Numerical modeling of the flow is performed, and it is shown that numerical calculation by the k-w turbulence model is in agreement with experimental data.

International Nuclear Information System (INIS)

Using the PMR method the interaction of zirconium and hafnium tetrachlorides with tri.tet.butylphenyl ester of 1,2- naphthoquinonediazide (2)-5-sulfonic acid is studied. The formation of MCl_4xNQD complexes is established, the equilibrium constants and thermodynamic parameters of complexing reaction are determined. The presence of rapid ligand exchange, proceeding according to associative mechanism, is detected. The rate constants and activation energies of the exchange reaction are calculated.

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Thermal absorption with its combined thermal and mechanical loads in a solar receiver does depend significantly on the distribution of incident solar radiation. For a cavity receiver with paraboloid collectar a method is derived which enables the calculation of solar radiation distribution on the areas inside the receiver. The theoretical bases are presented first, and a subsequent example shows the influence of the most important geometric parameters on the distribution of solar radiation.

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Saturation of the absorption of hot CO/sub 2/ by 1.6 ns P(18) and P(20) laser pulses at 10.6 ..mu..m has been measured. Coherent propagation calculations with no fitting parameters are in good agreement with the data and are consistent with a substantial hot-band contribution to the P(20) saturation.

International Nuclear Information System (INIS)

For comparison of radiation exposure and risk in different diagnostic procedures for adults and children dose measurements and calculations of organs with special risk were carried out. Parameters of image formation influencing image quality as well as of exposure concerning infants and children are recorded and discussed as to radiation exposure and protection. Conclusions are drawn with respect to systems of image formation and to standards of examination and quality assurance.

Energy Technology Data Exchange (ETDEWEB)

The pharmacokinetics of Tl/sup +/ were studied in 9 patients who underwent myocardial scintigraphy with /sup 201/Tl/sup +/. The time course of the /sup 201/Tl/sup +/ concentration fitted to an open two-compartment model. Using previously published dialysance values the influence of hemodialysis on Tl/sup +/ elimination was calculated. Hemodialysis in Tl/sup +/ intoxications should be moderately effective.

International Nuclear Information System (INIS)

Important steady-state thermohydraulic parameters of the TRIGA research reactor operating under natural convection mode of coolant flow were investigated using NCTRIGA computer code. Neutronic parameters used in preparing the input of NCTRIGA were taken from the analysis performed by 3-D Monte Carlo code MCNP4C. Benchmarking of the NCTRIGA calculated results were performed against the experimental data measured by the thermocouples in the instrumented fuel element (IFE) during the steady state operation of the reactor under natural convection mode of coolant flow. Various thermohydraulic parameters like the coolant velocity, flow rate and mass flow rate were generated for the hot channel as well as for the two channels comprising instrumented fuels. Calculated peak fuel temperatures at different power levels were compared with the measured values and also with the ...

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A model of heterogeneous mechanism of nucleation on impurity particles in a fluid volume is proposed. The particle spectrum is reproduced by solving the ''inverse'' problems on stationary outflow of a boiling parahydrogen with the use of experimental data of authors. A relation for a closure of the equation system describing a non-equilibrium outflow is obtained. It is shown that within the investigated parameter range one manages to calculate the characteristics of a stationary outflow with a satisfactory accuracy.

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This analysis is one of 10 reports that support the Environmental Radiation Model for Yucca Mountain, Nevada (ERMYN) biosphere model. The ''Biosphere Model Report'' (BSC 2004 [DIRS 169460]) describes in detail the conceptual model as well as the mathematical model and its input parameters. This report documents development of input parameters for the biosphere model that are related to atmospheric mass loading and supports the use of the model to develop biosphere dose conversion factors (BDCFs). The biosphere model is one of a series of process models supporting the total system performance assessment (TSPA) for a Yucca Mountain repository. Inhalation Exposure Input Parameters for the Biosphere Model is one of five reports that develop input parameters for the biosphere model. A graphical representation of the documentation hierarchy for the ERMYN is presented in ...

Energy Technology Data Exchange (ETDEWEB)

If climate changes are expected, their regional impacts are of special interest. Up to now (and in the near future) global climate models have been unable to deliver applicable results to describe the climate situation within a selected region (IPCC, 1995). That is why the description of the climate development in such an area must be realised by another possibility of creating meteorological data. Of importance besides is that the consistency in space and time and also between all meteorological parameters is not infracted. The used method proceeds on the assumption that the large scale changes of several meteorological parameters for a defined region calculated by a GCM can be regarded as correct as regards their tendencies. Based on such an assumption, long-term observed time series are prepared by statistical methods in such a way that they reflect the GCM-calculated changes by a scenario. The ...

Science.gov (United States)

The Process Waste Treatment Plant (PWTP) at the Oak Ridge National Laboratory is designed to remove radioactive contaminants, principally {sup 90}Sr, from process wastewater. Planned upgrades to the PWTP will use chabazite zeolite columns. Pilot-scale studies have shown that mass transfer zone lengths increase from 10 to about 30 cm as the superficial velocity increases from 5.5 to 22 cm/min. Calculations with a multicomponent equilibrium model showed that the distribution coefficient for strontium remains essentially constant over the process conditions, suggesting that a simple kinetic model (the Rosen long-bed solution) should adequately represent breakthrough behavior. Using a distribution coefficient of 4.87 L/g predicted by the equilibrium model, good agreement was found between experimental breakthrough curves and those calculated with the Rosen solution. This model allows prediction of bed depths and cycle times ...

Energy Technology Data Exchange (ETDEWEB)

Three studies of electrochemical current distribution have been performed using potential-theory models and the boundary-element method (BEM). (1) The steady-state behavior of cells with nonuniform current density over a passivating anode is investigated. Current distributions calculated for a test cell, using the measured kinetic behavior of nickel in acid-nickel-sulfate solution, are compared to estimates from earlier models. Although current-density profiles determined by weight loss on a segmented rotating cylinder agreed satisfactorily with model calculations, the measured length of the passive zone exceeds the theoretical value. The model's applicability to anodic protection is demonstrated for a stainless-steel sulfuric-acid holding tank. (2) A model is established to describe the effects of attached bubbles on the potential drop at gas-evolving electrodes including: (1) ohmic obstruction within the ...

Energy Technology Data Exchange (ETDEWEB)

The kinetic energy transferred to some elements by an electron of kinetic energy 100 to 400 kV is discussed. The displacement rates are compared to the signal generation. (DCL)

Science.gov (United States)

... Accession Number : ADA539720. Title : A Hybrid Kinetic Model of Asymmetric Thin Current Sheets with Sheared Flows in a Collisionless Plasma. ...

Energy Technology Data Exchange (ETDEWEB)

The purpose of this study is to identify the radiative heat transfer augmentation by a coaxial cylinder introduced in the infinite cylindrical pipe enclosing a participating gas. The gas is either a mixture of water vapor and carbon dioxide or gray. The gas is assumed to be homogeneous at a constant temperature, and has a refractive index of unity. All of the surfaces are opaque and gray, diffusely emitting and reflecting at a constant temperature. The effect of system diameter, diameter ratio, wall emittances, gas and surface temperatures, mixture component on heat transfer augmentation are studied by using the zone method with participating gas radiative properties evaluated from the weighted sum of gray gases model. From the radiative equilibrium condition, the installed wall temperature is formulated and calculated by the iteration method. If the medium is a gray gas, the augmentation observed are negligible. For the range of values studied for a real gas, if ...

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This paper describes the modeling of horizontal steam generator with the TRACE code and calculation results of a loss-of-feedwater (LOF-10) experiment at the PACTEL facility. Parallel Channel Test Loop (PACTEL) is an integral test facility for a VVER-440 type nuclear reactor. The main objectives were to prepare a simulation model for its horizontal steam generator with the TRACE thermal hydraulic code and assess different modeling options of the code. PACTEL experiment LOF-10 was chosen for this assessment. The calculation results showed that TRACE is capable in simulating horizontal steam generator behavior both in steady state and during loss-of-feedwater transient. The phenomenon of heat transfer from primary to secondary side, steam superheating and flow reversal in the lowest heat exchange tubes were studied in detail. Different nodalization options were introduced. In the simulation of PACTEL loss-of-feedwater experiment LOF-10, the main ...

International Nuclear Information System (INIS)

In radiotherapy treatment planning, convolution/superposition algorithms currently represent the best practical approach for accurate photon dose calculation in heterogeneous tissues. In this work, the implementation, accuracy and performance of the FFT convolution (FFTC) and multigrid superposition (MGS) algorithms are presented. The FFTC and MGS models use the same 'TERMA' calculation and are commissioned using the same parameters. Both models use the same spectra, incorporate the same off-axis softening and base incident lateral fluence on the same measurements. In addition, corrections are explicitly applied to the polyenergetic and parallel kernel approximations, and electron contamination is modelled. Spectra generated by Monte Carlo (MC) modelling of treatment heads are used. Calculations using the MC spectra were in excellent agreement with measurements for many linear accelerator types. To ...

Energy Technology Data Exchange (ETDEWEB)

The aim with this project sponsored by Energimyndigheten is to develop a method for calculations of grate boilers fueled by bark. This report describes this project, 'Evaluation Method for Grate Combustion' (EMGC). CFD codes is an engineering tool applicable in the area of the over-grate section called the furnace. This part of the boiler is easy to model for an experienced CFD code user and the results are usually quite satisfactory for evaluating the combustion process in general. Various gas phases reactions and related combustion processes over the burning bed can be simulated including air staging, fuel staging and SNCR. However the simulation needs information of amount and properties of the burning bed products, entering the furnace. The simulation of the in-furnace processes without this information is often just a numerical speculation. A predictive mathematical model based on physical and chemical data for the grate and fuel bed would ...

International Nuclear Information System (INIS)

The energy bands and the nature of the conduction electrons have been studied for two intermetallic compounds of dysprosium, i.e, DyZn and DyRh, following the self-consistent augmented-plane-wave (APW) method. The convergence of energy was found to be rapid for DyZn because the shell of 3d"1"0 electrons for Zn lies below the conduction band. The Fermi energies (E/sub F/) have been calculated to be 0.421 and 0.477 Ry for DyZn and DyRh, respectively. The densities and the numbers of conduction electrons inside and outside the APW spheres in each of these compounds are calculated, and it is shown that the character of conduction electrons inside the APW sphere of Dy is predominantly of d type. In order to see the accuracy of these results, self-consistent calculations were done for DyZn for different choices of the exchange potentials, and the calculated number of conduction electrons did not change ...

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Discusses the Methodological Directions for Expected Noise Calculation and Noise Reduction Design in Coal Preparation Plants developed at the Institute of Solid Fuel Preparation. Calculation of expected sound pressure levels is described. An exemplary chart of noise levels in the coal feed section of the coal preparation plant at the Taldinskii surface mine is presented. Procedures for planning noise pollution abatement measures and checking the expected noise levels are considered and explained on the example of the project of the coal crushing section in the Taldinskii plant (Kemerovugol' association) designed by Sibgiproshakht. A SMD-117 jaw crusher, 300 mm screen and a conveyor are to work in a space of 45,820 m{sup 3} with 30 m ceiling height. The expected noise level calculated for the working place of the crusher operator is 93-95 dBA without noise isolation and 85.5 dBA with noise isolation. A block diagram ...

Energy Technology Data Exchange (ETDEWEB)

Recently, many experiments designed to quantify the parameters involved in microgravity two-phase flow have been performed. These experiments give significant insight to the differences between the flow regimes in 1-g and microgravity. However, the new correlations for pressure drop, heat transfer, and the flow regime maps are yet to be implemented into analytical methods. The purpose of this study is to model a KC-135 microgravity experiment, using the thermal-hydraulic does RELAP5/MOD2 and ATHENA. A comparison of these experimental results to code calculations from RELAP5/MOD2 and ATHENA is shown. Results show little difference between the ATHENA and the RELAP5 calculations. Also, modifications are made to the two-phase flow regime map in RELAP5 to model microgravity predictions. There is a substantial difference between the code's calculation before and after the changes were implemented. ...

Energy Technology Data Exchange (ETDEWEB)

Pre-waste-emplacement groundwater travel time is one indicator of the isolation capability of the geologic system surrounding a repository. Two distinct modeling approaches exist for prediction of groundwater flow paths and travel times from the repository location to the designated accessible environment boundary. These two approaches are: (1) the deterministic approach which calculates a single value prediction of groundwater travel time based on average values for input parameters and (2) the stochastic approach which yields a distribution of possible groundwater travel times as a function of the nature and magnitude of uncertainties in the model inputs. The purposes of this report are to (1) document the theoretical (i.e., mathematical) basis used to calculate groundwater pathlines and travel times in a basalt system, (2) outline limitations and ranges of applicability of the deterministic modeling approach, and (3) ...

Energy Technology Data Exchange (ETDEWEB)

In this work, wet ball milling method is used in order to improve hydrogen sorption behaviour due to its improved microstructure of solid hydrogen materials. Compared to traditional ball milling method, wet ball milling has benefits on improvement of MgH{sub 2} microstructure and further influences on its hydrogen sorption behavior. With the help of solvent tetrahydrofuran (THF), wet ball milled MgH{sub 2} powder has much smaller particle size and its specific surface area is 7 times as large as that of dry ball milled MgH{sub 2} powder. Although after ball milling the grain size is decreased a lot compared to as-received MgH{sub 2} powder, the grain size of wet ball milled MgH{sub 2} powder is larger than that of dry ball milled MgH{sub 2} powder due to the lubricant effect of solvent THF during wet ball milling. The improved particle size and specific surface area of wet ball milled MgH{sub 2} powder is found to be determining its hydrogen sorption kinetics ...

International Nuclear Information System (INIS)

Heat capacities and densities of aqueous MgCl/sub 2/, CaCl/sub 2/, and SrCl/sub 2/ from the accompanying paper are combined with literature data up to 473 K to yield temperature-dependent equations by using the ion-interaction model of Pitzer. These heat capacity equations have been integrated to yield the enthalpy and the Gibbs energy. The enthalpy parameters for 298 K are evaluated in separate calculations using published high-temperature osmotic data as well as heats of dilution, while the Gibbs energy parameters for 298 K are taken from the literature. The range of validity of the final equations is described.

Energy Technology Data Exchange (ETDEWEB)

A decentralized power system stabilizer output feedback design approach is considered, which is compatible with expanding the construction of multi-machine systems. We presume that the interconnected power system is constructed by connecting closed-loop subsystems one after another. We take the proper stable factorization approach for calculating the local compensators. We apply the result to the new subsystem at each connection stage with unfixed power system stabilizer parameters. We then determine the parameters appropriately, before connection, so that the expanded system is stable after connection. A numerical example is worked out to illustrate the proposed design technique. 14 refs, 5 figs, 3 tabs

British Library Electronic Table of Contents (United Kingdom)

In this article we derive longitudinal impedance and wake function for an undulator setup with arbitrary undulator parameter, taking into account a finite transverse size of the electron bunch. Earlier studies considered a line density-distribution of electrons instead. We focus our attention on the long-wavelength asymptote (compared with resonance wavelength), at large distance of the electron bunch from the undulator entrance compared to the overtaking length, and for large vacuum-chamber size compared to the typical transverse size of the field. These restrictions define a parameter region of interest for practical applications. We calculate a closed expression for impedance and wake function that may be evaluated numerically in the most general case. Such expression allows us to deriv...

International Nuclear Information System (INIS)

Initial rates of resistivity-measured low-temperature damage production by fission-spectrum fast neutrons have been determined for 14 metals in the same very well characterized irradiation facility. Six of these metals were fcc, 5 bcc, and 3 hcp. Most were of quite high purity. Observed damage rates, after correction for all known extraneous resistivity-producing effects, were compared with rates predicted by the damage calculation code RECOIL, using parameters chosen from the literature. These parameters, effective displacement threshold energy, E/sub d/, and Frenkel-pair resistivity, rho/sub F/, were in many cases only best estimates, the further refinement of which may be aided by the present results. Damage efficiencies (measured/predicted rates) follow the same trends by crystal classes as seen in other fast-neutron studies.

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The present contribution focuses on the input side of individual process techniques. It shows on the basis of example calculations how two parameters describing the incinerable (residual) waste that are of particular importance for unconventional thermal treatment methods, namely ``pollutant load`` and ``calorific value``, can be influenced by a recycling stage and then further by mechanical-biological pretreatment. [Deutsch] Im folgenden soll das Hauptaugenmerk auf die Inputseite zu den einzelnen thermischen Verfahren gelegt werden und anhand einer Beispielrechnung aufgezeigt werden, wie sich die fuer einen Einsatz in nichtkonventionellen thermischen Verfahren besonders wichtigen Parameter des aufbereiteten (Rest)Abfalls `Schadstoffbelastung` und `Heizwert` zunaechst durch eine Verwertung und weiter durch eine mechanisch-biologische Vorbehandlung veraendern. (orig./SR)

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Rafting of the {gamma}/{gamma}{prime} morphology of nickel-base superalloys is a well-known phenomenon during high-temperature deformation. The initial stages of this type of directional coarsening were modeled two-dimensionally by the method of finite elements (FEs) using an energy-perturbation approach. In addition to the elastic energy density, the effect of the local difference of the hydrostatic stresses in {gamma} and {gamma}{prime} in combination with the different lattice parameters of the two phases was considered in the calculations as a further driving force. From the results of modeling, the deformation-induced internal stresses and strains were determined and used to evaluate the direction-dependent lattice parameters and lattice misfits of the two phases. The results agree well with experimentally determined values.

Science.gov (United States)

A multivariate bioprocess control approach, capable of tracking a pre-set process trajectory correlated to the biomass or product concentration in the bioprocess is described. The trajectory was either a latent variable derived from multivariate statistical process monitoring (MSPC) based on partial least squares (PLS) modeling, or the absolute value of the process variable. In the control algorithm the substrate feed pump rate was calculated from on-line analyzer data. The only parameters needed were the substrate feed concentration and the substrate yield of the growth-limiting substrate. On-line near-infrared spectroscopy data were used to demonstrate the performance of the control algorithm on an Escherichia coli fed-batch cultivation for tryptophan production. The controller showed good ability to track a defined biomass trajectory during varying process dynamics. The robustness of the control was high, despite significant external ...

British Library Electronic Table of Contents (United Kingdom)

Abstract We suggest a simple scheme for automatically determining the width parameter of smearing methods of the Brillouin zone integration in electronic structure calculation. The scheme retains one free parameter that at any time can be eliminated by choosing a denser k-space mesh until the desired accuracy is obtained. The tests are carried out in the context of Methfessel-Paxton smearing. This adaptive Gaussian smearing (AGS) is easily implemented, variational with respect to partial occupancies and free from spurious occupancies that are negative or larger than one. Its convergence properties are similar to those obtained with the modified tetrahedron method for energy resolution of -0.1 meV. 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011

International Nuclear Information System (INIS)

In this study, the degrees of destruction of hemoglobin irradiated in atmospheres of air and argon were compared. Hemoglobin preparations were irradiated in the forms: oxyhemoglobin (HbO_2) deoxyhemoglobin (Hb"2"+) and methemoglobin (MetHb) applying doses of 0.5 to 5 Mrad. The degree of hemoglobin destruction was estimate on the basis of changes in the values of the absorption coefficient at the Soret band, the absorption ratio A_5_0_5/A_5_6_3 determined after conversion of irradiated preparations into MetHb, absorption coefficinets for pyridine hemochromogen obtained from irradiated preparations, and changes in parameters characterizing the hemoglobin oxygenation reaction (log p/sub 1/2/O_2 and the Hill n coefficient). The calculated oxygen enhancement ratios S were generally higher than 1 for the parameters estimated. This indicates that the presence of oxygen during irradiation enhances hemoglobin destruction.

International Nuclear Information System (INIS)

The trifluoroacetate metal-organic decomposition route to YBa_2Cu_3O_7 film growth was investigated in order to bring new insights in the growth mechanism and its dependence on processing conditions and critical current density. Precursor films were processed on LaAlO_3 substrates at different total pressure, oxygen partial pressure, water vapor partial pressure, and volume gas flow rate keeping the growth temperature at 740 "0C. The influence of these various experimental parameters on the film growth rate, which was evaluated by in situ electrical resistance measurements, was studied thoroughly. It was found that the growth rate is nearly independent of the oxygen pressure and proportional to the square root of the water pressure. Additionally, the growth rate increases with a decrease of the total pressure or an increase of the gas flow rate. An empirical multi-exponential model simulates the experimental data, however, a better understanding was achieved using ...

International Nuclear Information System (INIS)

... compounds plants radiation effects radioisotopes reaction kinetics trees

Energy Technology Data Exchange (ETDEWEB)

The aim of the thesis is to validate concepts used in hydrocarbon generation and migration models; the model considered is the Temispack model developed by IFP, and the validation is based on the investigation of the thermal and hydraulic evolution in various sedimentary basins. It is shown that, in general, the thermal history of sediments is influenced by external processes (sedimentation rates, lithology, climate changes, regional-scale groundwater circulations) which frequently overprint internal processes (variations of crustal/mantle heat flow). It is found that external processes can frequently explain past thermal events that were erroneously attributed to internal causes (tectonic-thermal events). The origin of over-pressures in young basins with high sedimentation rates is shown to be generally related to compaction disequilibrium. Shale permeability values calibrated against overpressure profiles are consistent with experimental constraints. Compaction models predict ...

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The hexavalent chromium, Cr(VI), biosorption by raw and acid-treated Oedogonium hatei were studied from aqueous solutions. Batch experiments were conducted to determine the biosorption properties of the biomass. The optimum conditions of biosorption were found to be: a biomass dose of 0.8 g/L, contact time of 110 min, pH and temperature 2.0 and 318 K respectively. Both Langmuir and Freundlich isotherm equations could fit the equilibrium data. Under the optimal conditions, the biosorption capacities of the raw and acid-treated algae were 31 and 35.2 mg Cr(VI) per g of dry adsorbent, respectively. Thermodynamic parameters showed that the adsorption of Cr(VI) onto algal biomass was feasible, spontaneous and endothermic under studied conditions. The pseudo-first-order kinetic model adequately describe the kinetic data in comparison to second-order model and the process involving rate-controlling step is much complex involving ...

Energy Technology Data Exchange (ETDEWEB)

The energy level schemes of /sup 192/Os and /sup 192/Pt have been established on the basis of ..gamma..-..gamma.. coincidence studies using a dual parameter data collection system. Ge(Li) detectors were employed to study the gamma spectra produced in the E.C. and ..beta../sup -/ decays of /sup 192/Ir to /sup 192/Os and /sup 192/Pt, respectively. Thirteen new transitions and three new levels at 1146.95, 1237.35 and 1913.76 keV are suggested. Relative intensities from singles measurements, branching ratios, ..cap alpha..(K) and log ft values were calculated and multipolarities, spins and parities deduced. Comparisons are made with predictions of the Interacting Boson Model calculated on the basis of an O(6) to SU(3) transition.

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In this systematic examination of some of the spectroscopic properties of the f-elements we deal with both the trivalent lanthanides and actinides. We summarize the present status of our energy level calculations in single crystal matrices and in aqueous solution, and compare the predicted crystal-field structure in certain low-symmetry sites with that observed. Some interesting new structural insights are thereby gained. The state eigenvectors from these calculations are then used in part in reassessing and interpreting the intensities of transitions in aqueous solution via the Judd-Ofelt theory. The parameters of this theory derived from fitting experimental data are compared with those computed from model considerations. Finally, we discuss some recent contributions to the interpretation of excited state relaxation processes in aqueous solution. 79 references, 23 figures, 17 tables.

CERN Document Server

We complete the effective potential calculation of the two-loop, top/bottom Yukawa corrections to the Higgs boson masses in the Minimal Supersymmetric Standard Model, by computing the O(at^2 + at*ab + ab^2) contributions for arbitrary values of the bottom Yukawa coupling. We also compute the corrections to the minimization conditions of the effective potential at the same perturbative order. Our results extend the existing O(at^2) calculation, and are relevant in regions of the parameter space corresponding to tan(beta) >> 1. We extend to the Yukawa corrections a convenient renormalization scheme, previously proposed for the O(ab*as) corrections, that avoids unphysically large threshold effects associated with the bottom mass and absorbs the bulk of the corrections into the one-loop expression. For large values of tan(beta), the new contributions can account for a variation of several GeV in the lightest Higgs boson ...

International Nuclear Information System (INIS)

Nuclear reaction rates and opacity are important parameters in stellar evolution. The input physics in a stellar evolution code determines the main theoretical characteristics of the stellar structure, evolution and nucleosynthesis of a star. For different input physics, in this work we calculate stellar evolution models of very massive first stars during the hydrogen and helium burning phases. We have considered 100 and 200M_sun galactic and pregalactic stars with metallicity Z = 10"-"6 and 10"9, respectively. The results show important differences from old to new formulations for the opacity and nuclear reaction rates, in particular the evolutionary tracks are significantly affected, that indicates the importance of using up to date and reliable input physics. The triple alpha reaction activates sooner for pregalactic than for galactic stars.

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Modeling is performed for focused-ion-beam (FIB) sputtering and redeposition on trench sidewalls in a steady state approximation. Calculations are carried out to demonstrate the sputtered surface profile under known parameters such as sputtering yield as a function of ion incident angle, the FIB current density profile, and the FIB scan speed. It is found that a steplike slope with a gradient angle of {theta}{sub 0} is formed at the FIB bombarding position. Furthermore, the redeposition flux on the sidewalls is calculated as a function of {theta}{sub 0} for the FIB trench milling assuming the cosine law for the angular distribution of the sputtered atom. The redeposition will be more accurately predictable and controllable when more information about these assumptions is obtained.

Energy Technology Data Exchange (ETDEWEB)

Radon migration in porous, earthen materials is characterized by diffusion in both the air and water components of the system as well as by the interaction of the radon between the air and water. The size distribution and configuration of the pore spaces and their moisture distributions are key parameters in determining the radon diffusion coefficient for the bulk material. A mathematical model is developed and presented for calculating radon diffusion coefficients solely from the moisture content and pore size distribution of a soil, reducing the need for resorting to radon diffusion measurements. The resulting diffusion coefficients increase with the median pore diameter of the soil and decrease with increasing widths of the pore size distribution. The calculated diffusion coefficients are suitable for use in simple homogeneous-medium diffusion expressions for predicting radon transport and compare well with measured ...

Energy Technology Data Exchange (ETDEWEB)

The light gain due to S/sub 2/ molecules in a supersonically cooled gas mixture is calculated. The S/sub 2/ molecules formed due to the recombination of the sulfur atoms, and the combustion gas mixture was preheated in a precombustion chamber. Optimal gas flow and nozzle parameters are found which correspond to the highest possible light gain using Cs/sub 2/-Ar and S/sub 2/-Ar gas mixtures. The steady state gas flow in the nozzle was calculated, taking into account the chemical reactions in the one-dimensional approximation. It is shown that the maximum gain values vary in the 0.0001-0.002 range for gas pressures in the precombustion chamber in the range 10-100 atm. The optimal initial relative concentration of Cs/sub 2/ molecules and S/sub 2/ molecules are given. 32 references.

International Nuclear Information System (INIS)

In order to develop a numerical tool for the fast evaluation of CANDU refuelling schemes, a Linear Sensitivity Matrix method (LSM) is developed. It assumes that all the effects caused by various perturbations to the core state are independent to each other and the core response to a perturbation is proportional to its magnitude. In this way, the main core parameters of a refuelling scheme can be derived by simple algebraic operations with the use of pre-calculated sensitivity matrices, without resorting to the complicated and time-consuming 3D core calculation. Verification against the Qinshan CANDU reactor operation history demonstrates that LSM is capable of generating accurate results and running very fast for evaluating a refuelling scheme. (authors)

Energy Technology Data Exchange (ETDEWEB)

The electronic structure of small niobium clusters Nb/sub n/ (n = 2, 4, 6, 9) has been calculated applying two different quantum-chemical approximation methods (Extended Hueckel (EH) method; SW-X/sub alpha/ method). It was found that both the methods led to the same results concerning equilibrium structures, energy level schemes, Fermi energies and band widths as well as the densities of states of the clusters. In solving solid state problems of transition metals with the aid of the cluster model a better adaptation of the EH method should be expected by adjusting the EH parameters to the SW-X/sub alpha/ results.