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 ...
Objective: To estimate exposure dose of personnel around patients by Monte Carlo method and integration method. Methods: Exposures were estimated by a Monte Carlo practical program with Visual Basic 6.0 and integration method using 'pen-and-paper'. Results: Exposures for rectangle and ellipse sources were calculated. The difference between different methods for various sources were 0.88% and 0.61%, respectively. Conclusion: The results estimated by Monte Carlo method are close to those of integration method. It is illustrated that doses of other people estimated by Monte Carlo method are significant
The traditional way of estimating the gravitational field from observed motions of test objects is based on the virial relation between their kinetic and potential energy. We find a more efficient method. It is based on the natural presumption that the objects are observed at a random moment of time and therefore have random orbital time phases. The proposed estimator, which we call "orbital roulette", checks the randomness of the phases. The method has the following advantages: (1) It estimates accurately Keplerian (point-mass) potentials as well as non-Keplerian potentials where the unknown gravitating mass is distributed in space. (2) It is a complete statistical estimator: it checks a trial potential and accepts it or rules it out with a certain significance level; the best-fit measurement is thus supplemented with error bars at any confidence level. (3) It needs no a priori assumptions about the distribution of orbital ...
A method for ranking interval objects is proposed and analyzed; the characteristics of those objects are represented by pessimistic, optimistic, and most probable estimates. The method is based on the approximation of the binary probability preference relation by the binary median preference relation. The method is verified using statistical modeling (the Monte Carlo method). The proposed approach can be used for ranking nonreusable and reusable objects.
We review the development and application of kineticMonte Carlo simulations to investigate defect and dopant diffusion in ion implanted silicon. In these type of Monte Carlo models, defects and dopants are treated at the atomic scale, and move according to reaction rates given as input principles. These input parameters can be obtained from first principles calculations and/or empirical molecular dynamics simulations, or can be extracted from fits to experimental data. Time and length scales differing several orders of magnitude can be followed with this method, allowing for direct comparison with experiments. The different approaches are explained and some results presented.
BACKGROUND AND OBJECTIVE:For treatment of benign prostatic hyperplasia (BPH), Plasma Kinetic loop Resection of the Prostate (PKRP) is an alternative to conventional monopolar...Full Text Available
The objective of this study was to evaluate how the vehicles of choice affect the pharmacokinetics of orally administered Fluoranthene [FLA] in rats. Fluoranthene is a member of the family of...Full Text Available
An overview is provided of an evolving atomistic and kinetic model of semiconductor growth that unifies the main features of strain relaxation in low and high lattice misfit heteroepitaxy. The model reveals a kinetic pathway for dislocation formation during growth with little or no energy cost at low misfits, thus providing a way out of the longstanding dilemma of too high dislocation nucleation energies predicted by classical theories of the equilibrium behavior of a fixed number of particles at low misfits. The essential kinetic process underlying the model are identified on the basis of comparison of the predictions of kineticMonte-Carlo simulations of growth with real-time or in-situ data obtained in such experiments as reflection high-energy electron diffraction (RHEED) and scanning probe microscopy (SPM). Relative significance of these atomistic kinetic ...
KineticMonte Carlo (KMC) computer simulations are performed to determine the kinetics of SIA cluster 'clouds' in the vicinity of edge dislocations. The simulations include elastic interactions amongst SIA clusters, and between clusters and dislocations. Results of KMC simulations that describe the formation of 'SIA clouds' during neutron irradiation of bcc Fe and the corresponding evolution kinetics are presented, and the size and spatial distribution of SIA clusters in the cloud region are studied for a variety of neutron displacement damage dose levels. We then investigate the collective spatio-temporal dynamics of SIA clusters in the presence of internal elastic fields generated by static and mobile dislocations. The main features of the investigations are: (1) determination of the kinetics and spatial extent of defect clouds near static dislocations; (2) assessment of the ...
This project is concerned with the kinetics and mechanisms of aromatic oxidation and soot and fullerenes formation in flames. The objective of the aromatics oxidation work is to identify and measure the concentration of important intermediates and products in benzene oxidation, and to determine reaction mechanisms and kinetics properties consistent with the behavior seen in flames. The research on soot formation is concerned primarily with the particle inception stages, but the work includes study of soot structure at all stages of growth in order to obtain mechanistic information from evidence of growth steps recorded in the structure of the particles. The ultimate objective is to understand how nascent soot particles are formed from high molecular weight compounds, including the roles of planar and curved PAH and the relationship between soot and fullerenes. The objective of the ...
In this article, equations of motion of a manipulator are derived after consideration of the characteristics of the driving source. By considering a collision between a link and an object, and considering the active motion to absorb the kinetic energy of the object, the trajectories for saving energy are calculated by the iterative dynamic programming (IDP) method. The dynamic characteristics of manipulator control based on the trajectory for saving energy are also analyzed theoretically and investigated experimentally.
In this paper, we report kineticMonte Carlo study on the diffusion behavior of boron in silicon crystal, more particularly on the transient enhanced diffusion (TED) of boron in silicon during implantation and annealing. Firstly, the accuracy of our KMC code was verified by investigating the time evolutionary behavior of interstitial (I) and vacancy (V) when a silicon substrate is implanted with silicon dose with an energy of 10 keV and with a dose of 1 X 10{sup 14} ions/cm{sup 2}. To investigate the influence of native defects (I, V) on boron diffusion, a single and multi boron markers grown by MBE were employed. The simulation results revealed that the precursor of boron cluster (BI{sub 2}) is dominant at the initial stage of annealing, which explains the boron TED phenomenon in terms of the concentration of boron complexes and I, V clusters, respectively. The formation of {l_brace}311{r_brace} defects and dislocation loop were observed from ...
In this paper, we report kineticMonte Carlo study on the diffusion behavior of boron in silicon crystal, more particularly on the transient enhanced diffusion (TED) of boron in silicon during implantation and annealing. Firstly, the accuracy of our KMC code was verified by investigating the time evolutionary behavior of interstitial (I) and vacancy (V) when a silicon substrate is implanted with silicon dose with an energy of 10 keV and with a dose of 1 X 10"1"4 ions/cm"2. To investigate the influence of native defects (I, V) on boron diffusion, a single and multi boron markers grown by MBE were employed. The simulation results revealed that the precursor of boron cluster (BI_2) is dominant at the initial stage of annealing, which explains the boron TED phenomenon in terms of the concentration of boron complexes and I, V clusters, respectively. The formation of #left brace#311#right brace# defects and dislocation loop were observed from the ...
Ion implantation and subsequent annealing are essential stages in today's advanced CMOS processing. Although the dopant implanted profile can be accurately predicted by analytical fits calibrated with SIMS profiles, the damage has to be estimated with a binary collision approximation implant simulator. Some models have been proposed, like the '+n', in an attempt to simplify the anneal simulation. We have used the atomistic kineticMonte Carlo dados to elucidate which are the implant modeling features most relevant in the simulation of transient enhanced diffusion (TED). For the experimental conditions studied we find that the spatial correlation of the I, V Frenkel pairs is not critical in order to yield the correct I supersaturation, that can be simulated just taking into account the net I-V excess distribution. In contrast to, simulate impurity clustering/deactivation when there is an impurity concentration comparable to the net I-V excess, ...
High-energy ionizing radiation is a prominent modality for the treatment of many cancers. The approaches to electron dose calculation can be categorized into semi-empirical models (e.g. Fermi-Eyges, convolution-superposition) and probabilistic methods (e.g. Monte Carlo). A third approach to dose calculation has only recently attracted attention in the medical physics community. This approach is based on the deterministic kinetic equations of radiative transfer. We derive a macroscopic partial differential equation model for electron transport in tissue. This model involves an angular closure in the phase space. It is exact for the free streaming and the isotropic regime. We solve it numerically by a newly developed HLLC scheme based on Berthon et al (2007 J. Sci. Comput. 31 347-89) that exactly preserves the key properties of the analytical solution on the discrete level. We discuss several test cases taken from the medical physics literature. ...
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.
We present results from a kineticMonte 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 {ital 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} {ital 1998 American Institute of Physics.}
We present results from a kineticMonte 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.
This paper aims to provide a comprehensive review of the various models or simulations for predicting drug release from bulk-degrading systems. A brief description of bulk degradation processes and factors affecting the degradation rate, and consequently the release kinetics, is presented first. Next, several important classical models, often used as the basis for subsequent model development, are discussed. Both mathematical models and Monte-Carlo based simulations have been developed for controlled release from bulk-degrading systems. The mathematical models can be further subdivided into two categories. First, the diffusion-based models whose transport mechanism is mainly governed by diffusion, but with degradation-dependent diffusion coefficients. These are generally simpler and easier...
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 kineticMonte 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.
We review our recent work on an atomistic approach to the development of predictive process simulation tools. First principles methods, molecular dynamics simulations, and experimental results are used to construct a database of defect and dopant energetics in Si. This is used as input for kineticMonte Carlo simulations. C and B trapping of the Si self- interstitial is shown to help explain the enormous disparity in its measured diffusivity. Excellent agreement is found between experiments and simulations of transient enhanced diffusion following 20-80 keV B implants into Si, and with those of 50 keV Si implants into complex B-doped structures. Our simulations predict novel behavior of the time evolution of the electrically active B fraction during annealing.
We carried out theoretical analyses based on ab initio calculations that incorporate free energy of the vapor phase in order to determine the initial growth process of cubic GaN on GaN (001)-(4x1). The results suggest that a N-adsorbed structure appears at the initial growth stage and then Ga adsorbs on the N-adsorbed GaN (001)-(4x1) surface. Considering this process, we performed Monte Carlo simulations. The results suggest that the maximum point of Ga coverage after supplying a Formula Not Shown monolayer of atoms shifted toward a Ga-rich condition from V/III=1.0.
We present evidence in favour of a link between the luminosity radiatively dissipated in the central engine of radio-loud Active Galactic Nuclei and the kinetic power in their jets. This piece of evidence is based on the relation we find between the luminosity in broad emission lines and the kinetic power in pc-scale radio jets, for a sample of radio-loud quasars for which suitable data are available in the literature. We find that the ionizing luminosity and the kinetic one are of the same order of magnitude, suggesting that the processes responsible for them are somehow related. A strong magnetic field in equipartition with the radiation field could be responsible for regulating both processes. BL Lac objects seem to follow a similar behaviour, but with comparatively fainter broad line emission.
Incomplete convergence in numerical simulation such as computational physics simulations and/or Monte Carlo simulations can enter into the calculation of the objective function in an optimization problem, producing noise, bias, and topo- graphical inaccuracy in the objective function. These affect accuracy and convergence rate in the optimization problem. This paper is concerned with global searching of a diverse parameter space, graduating to accelerated local convergence to a (hopefully) global optimum, in a framework that acknowledges convergence uncertainty and manages model resolu- tion to efficiently reduce uncertainty in the final optimum. In its own right, the global-to-local optimization engine employed here (devised for noise tolerance) performs better than other classical and contemporary optimization approaches tried individually and in combination on the "industrial" test problem to be presented.
We have developed a kineticMonte Carlo (kMC) simulator that links atomic migration and binding energies determined primarily from first principles calculations to macroscopic phenomena and laboratory time scales. Input for the kMC simulation is obtained from a combination of ab initio planewave pseudopotential calculations, molecular dynamics simulations, and experimental data. The simulator is validated against an extensive series of experimental studies of the diffusion of B spikes in self-implanted Si. The implant energy, dose, and dose rate, as well as the detailed thermal history of the sample, are included. Good agreement is obtained with the experimental data for temperatures between 750 and 950 C and times from 15 to 255 s. At 1050o C we predict too little diffusion after 105 s compared to experiment: apparently, some mechanism which is not adequately represented by our model becomes important at this temperature. Below 1050o C, the ...
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 ...
ObjectivesThe aim of this study was to comprehensively evaluate the antibacterial activity and MurE inhibition of a set of N-methyl-2-alkenyl-4-quinolones found...Full Text Available
This document is the final report for Cooperative Agreement DE-FC26-04NT42314, 'Kinetics Study of Mercury Reactions in FGD Liquors'. The project was co-funded by the U.S. DOE National Energy Technology Laboratory and EPRI. The objective of the project has been to determine the mechanisms and kinetics of the aqueous reactions of mercury absorbed by wet flue gas desulfurization (FGD) systems, and develop a kinetics model to predict mercury reactions in wet FGD systems. The model may be used to determine optimum wet FGD design and operating conditions to maximize mercury capture in wet FGD systems. Initially, a series of bench-top, liquid-phase reactor tests were conducted and mercury species concentrations were measured by UV/visible light spectroscopy to determine reactant and byproduct concentrations over time. Other measurement methods, such as atomic absorption, were used to measure ...
The general objective of this workshop is to investigate and discuss methods by which uncertainties in mass balance models for toxics in the Great Lakes may be reduced. As described by the workshop prospectus, this paper is focused on problems of reducing (and quantifying) uncertainty as they relate to in situ field observations/system response measurements for the establishment of initial conditions, boundary conditions, calibration/confirmation data sets, and model post-audit data sets.'' I have taken this description to refer not only to the evaluation of uncertainty in the field observations themselves, but also to the uncertainty associated the analyses of in situ observations as they interact in the overall modeling process. Thus, I will be concerned here with quantification and reduction of uncertainty both (1) as they may be applied to descriptions of the system that is being modeled and (2) as they may be associated with model ...
The basic relationships of the convolution/superposition dose calculation technique are reviewed, and a modelling technique that can be used for obtaining a satisfactory beam model for a commercially available convolution/superposition-based treatment planning system is described. A fluence energy spectrum for a Co-60 treatment machine obtained from a Monte Carlo simulation was used for modelling the fluence spectrum for a Rokus M machine. In order to achieve this model we measured the depth dose distribution and the dose profiles with a Wellhofer dosimetry system. The primary fluence was iteratively modelled by comparing the computed depth dose curves and beam profiles with the depth dose curves and crossbeam profiles measured in a water phantom. The objective of beam modelling is to build a model of the primary fluence that the patient is exposed to, which can then be used for the calculation of the dose deposited in the patient. (authors)
Air toxics from the industrial wastewater treatment plants (IWTPs) impose serious health concerns on its surrounding residential neighborhoods. To address such health concerns, one of the key challenges is to quantify the air emissions from the IWTPs. The objective here is to characterize the air emissions from the IWTPs and quantify its associated uncertainty. An IWTP receiving the wastewaters from an airplane maintenance facility is used for illustration with focus on the quantification of air emissions for benzyl alcohol, phenol, methylene chloride, 2-butanone, and acetone. Two general fate models, i.e., WATER9 and TOXCHEM+V3.0 were used to model the IWTP and quantify the air emissions. Monte Carlo and Bootstrap simulation were used for uncertainty analysis. On average, air emissions fr...
Between December 2001 and May 2004, a ventilation experiment (VE) was performed in the Mont Terri Underground Research Laboratory (URL) and co-financed by the Commission of the European Communities. The objective was to investigate the desaturation of consolidated clay formations in consequence of the ventilation of underground openings of a repository in such a formation. The results of the geoelectric measurements performed in the second phase of the Mont Terri ventilation test can be summarized as follows: Geoelectric tomography has been found suitable for monitoring ventilation-induced saturation changes in the Opalinus clay. During ventilation with dry air a desaturation down to below 50% could be detected in both desaturation cycles. The desaturated zone extends less than 0.5 m into the rock around the microtunnel. During the second resaturation phase, ventilation with humid air led to quick resaturation at the tunnel ...
Between December 2001 and May 2004, a ventilation experiment (VE) was performed in the Mont Terri Underground Research Laboratory (URL) and co-financed by the Commission of the European Communities. The objective was to investigate the desaturation of consolidated clay formations in consequence of the ventilation of underground openings of a repository in such a formation. The results of the geoelectric measurements performed in the second phase of the Mont Terri ventilation test can be summarized as follows: Geoelectric tomography has been found suitable for monitoring ventilation-induced saturation changes in the Opalinus clay. During ventilation with dry air a desaturation down to below 50% could be detected in both desaturation cycles. The desaturated zone extends less than 0.5 m into the rock around the microtunnel. During the second resaturation phase, ventilation with humid air led to quick resaturation at the tunnel ...
Accurate modeling of system response and scatter distribution is crucial for image reconstruction in emission tomography. Monte Carlo simulations are very well suited to calculate these quantities. However, Monte Carlo simulations are also slow and many simulated counts are needed to provide a sufficiently exact estimate of the detection probabilities. In order to overcome these problems, we propose to split the simulation into two parts, the detection system and the object to be imaged (the patient). A so-called 'virtual boundary' that separates these two parts is introduced. Within the patient, particles are simulated conventionally. Whenever a photon reaches the virtual boundary, its detection probability is calculated analytically by evaluating a multi-dimensional B-spline that depends on the photon position, direction and energy. The unknown B-spline knot values that define this B-spline are fixed by a prior 'pre-' ...
For Monte Carlo simulations to be used as an alternative solution to perform scatter correction, accurate modelling of the scanner as well as speed is paramount. General-purpose Monte Carlo packages (Geant4, EGS, MCNP) allow a detailed description of the scanner but are not efficient at simulating voxel-based geometries (patient images). On the other hand, dedicated codes (SimSET, PETSIM) will perform well for voxel-based objects but will be poor in their capacity of simulating complex geometries such as a PET scanner. The approach adopted in this work was to couple a dedicated code (SimSET) with a general-purpose package (Geant4) to have the efficiency of the former and the capabilities of the latter. The combined SimSET+Geant4 code (SimG4) was assessed on the GE Advance PET scanner and compared to the use of SimSET only. A better description of the resolution and sensitivity of the scanner and of the scatter fraction was ...
As for Wolsung NPP unit 1, radiation shielding analysis was performed by using neutron diffusion codes, one-dimensional discrete ordinates code ANISN, and analytical methods. But for Wolsung NPP unit 2, 3, and 4, two-dimensional discrete ordinates code DOT substituted for neutron diffusion codes. In other words, the method of analysis and computer codes used for radiation shielding of CANDU 6 type reactor have been improved. Recently Monte Carlo MCNP code has been widely utilized in the field of radiation physics and other radiation related areas because it can describe an object sophisticately by use of three-dimensional modelling and can adopt continuous energy cross-section library. Nowadays Monte Carlo method has been reported to be competitive to discrete ordinate method in the field of radiation shielding and the former has been known to be superior to the latter for complex geometry problem. However, ...
Current advanced CMOS source/drain engineering involves the use of amorphizing implants with 3D geometry. Upon annealing, the induced transient enhanced diffusion (TED) can only be accurately predicted if the amorphized region is correctly modeled, as well as the formation and evolution of extended defects, particularly 3 1 1's and dislocation loops. In addition to the extended defects, already modeled in the atomistic kineticMonte-Carlo simulator DADOS, we have developed a physically based modeling approach for the implant-induced damage build-up, amorphization and recrystallization, suitable to handle device-size process simulation. It is based on amorphous pockets (3D, irregular shape agglomerates of an arbitrary number of interstitials and vacancies, plus trapped impurities) with a size-dependent activation energy for recombination. The model is able to reproduce experimental aspects like the crystal-amorphous transition ...
Current advanced CMOS source/drain engineering involves the use of amorphizing implants with 3D geometry. Upon annealing, the induced transient enhanced diffusion (TED) can only be accurately predicted if the amorphized region is correctly modeled, as well as the formation and evolution of extended defects, particularly 3 1 1's and dislocation loops. In addition to the extended defects, already modeled in the atomistic kineticMonte-Carlo simulator DADOS, we have developed a physically based modeling approach for the implant-induced damage build-up, amorphization and recrystallization, suitable to handle device-size process simulation. It is based on amorphous pockets (3D, irregular shape agglomerates of an arbitrary number of interstitials and vacancies, plus trapped impurities) with a size-dependent activation energy for recombination. The model is able to reproduce experimental aspects like the crystal-amorphous transition temperature and ...
This paper deals with electron flux densities and electron energy flux densities in positive column discharges. Recent kinetic calculations by Uhrlandt and Winkler have revealed the interesting physical phenomenon of radially inward directed energy flux densities in positive column plasmas. We have used a self-consistent positive column model, based on an accurate and highly detailed Monte Carlo code, to study this effect in more depth. The results of this study show a rather complex physical picture of electron particle and energy flux densities. Electrons with low energies usually exhibit radially outward directed particle and energy flux densities. At energies above the threshold for electronic excitation particle and energy flux densities are usually inward directed. Only close to the wall, at total energies above the wall potential energy, do these flux densities point towards the wall. The thickness of this 'wall loss ...
KineticMonte Carlo simulations are used to analyze the ripening and dissolution of small Si interstitial clusters and #left brace#113#right brace# defects, and its influence on transient enhanced diffusion of dopants in silicon. The evolution of Si interstitial defects is studied in terms of the probabilities of emitted Si interstitials being recaptured by other defects or in turn being annihilated at the surface. These two probabilities are related to the average distance among defects and their distance to the surface, respectively. During the initial stages of the defect ripening, when the defect concentration is high enough and the distance among them is small, Si interstitials are mostly exchanged among defects with a minimal loss of them to the surface. Only when defects grow to large sizes and their concentration decreases, the loss of Si interstitials through diffusion to the surface prevails, causing their dissolution. The presence of ...
The problem of spectra formation in hydrodynamic approach to A+A collisions is discussed. It is analyzed in terms of the two different objects: distribution and emission functions. We show that though the process of particle liberation, described by the emission function, is, usually, continuous in time, the observable spectra can be also expressed by means of the Landau/Cooper-Frye prescription. We argue that such an approximate duality results from some symmetry properties that systems in A+A collisions reach to the end of hydrodynamic evolution and reduction of the collision rate at post hydrodynamic stage
A fuzzy-decision-making procedure is applied to find the optimal feed policy of a fed-batch fermentation process for fuel ethanol production using a genetically engineered Saccharomyces yeast 1400 (pLNH33). The policy consisted of feed flow rate, feed concentration, and fermentation time. The recombinant yeast 1400 (pLNH33) can utilize glucose and xylose simultaneously to produce ethanol. However, the parent yeast utilizes glucose only. A partially selective model is used to describe the kinetic behavior of the process. In this study, this partially selective fermentation process is formulated as a general multiple-objective optimal control problem. By using an assigned membership function for each of the objectives, the general multiple-objective optimization problem can be converted into a maximizing decision problem. In order to obtain a global solution, a hybrid method of differential evolution is ...
Mechanisms and associated energetics for adatom diffusion on the (100) and (110) surfaces of Ni, Cu, Rh, Pd, and Ag are investigated. Self-diffusion was studied on (100) and (I 10) surfaces of Ni, Cu, Pd and Ag using corrected effective medium method (CEM) and approximation to CEM used for molecular dynamics and Monte Carlo studies (MD/MC-CEM). Self-diffusion on Pd(100), Ag(100), Ni(110), Cu(110), Pd(110), and Ag(110) is accomplished by classical diffusion: the adatom hops from its equilibrium adsorption site over an intervening bridge site to an adjacent equilibrium site. Self-diffusion on Ni(100) and Cu(100) proceeds by atomic-exchange diffusion: the adatom on the surface displaces an atom in the first surface layer. Aside from explicit inclusion of the kinetic-exchange-correlation energy, it is critical to include enough movable atoms in the calculation to insure correct energetics. Distortions induced by these diffusion mechanisms, ...
Cancer is a severe threat to human health. Early detection is considered the best way to increase the chance for survival. While the traditional cancer detection method, biopsy, is invasive, noninvasive optical diagnostic techniques are revolutionizing the way that cancer is diagnosed. Reflectance spectroscopy is one of these optical spectroscopy techniques showing promise as a diagnostic tool for pre-cancer detection. When a neoplasia occurs in tissue, morphologic and biochemical changes happen in the tissue, which in turn results in the change of optical properties and reflectance spectroscopy. Therefore, a pre-cancer can be detected by extracting optical properties from reflectance spectroscopy. This dissertation described the construction of a fiberoptic based reflectance system and the development of a series of modeling studies. This research is aimed at establishing an improved understanding of the optical properties of mucosal tissues by analyzing reflectance signals at ...
A nuclear power plant engineering (NPP) simulator may include many system functions such as thermal-hydraulic calculation, 3D reactor neutron kinetics model, control and protection system, display and operational human-machine interface, intelligent alarm system, etc. If all those functions are simulated using a single code, the size of the program will cause structural or managerial problems, and the hardware requirement could be tremendous. Thus, any local function errors or changes may affect the whole code, which will make development and maintenance extremely costly. So the nondistributed code is not considered to be flexible and feasible. Currently, distributed and parallel technologies have been applied to develop NPPs engineering simulator for safety analysis, verification of advanced main control room display, operation and intelligent alarm design. The distributed simulation divides a huge task into several objects according to ...
An essential part of fire risk assessment is the analysis of fire hazards and fire propagation. In this work, models and tools for two different aspects of numerical fire simulation have been developed. The primary objectives have been firstly to investigate the possibility of exploiting state-of-the-art fire models within probabilistic fire risk assessments and secondly to develop a computationally efficient solver of thermal radiation for the Fire Dynamics Simulator (FDS) code. In the first part of the work, an engineering tool for probabilistic fire risk assessment has been developed. The tool can be used to perform Monte Carlo simulations of fires and is called the Probabilistic Fire Simulator (PFS). In Monte Carlo simulation, the simulations are repeated multiple times, covering the whole range of variability of the input parameters and thus resulting in a distribution of results covering what can be expected in ...
In March 2007 in-pile testing of LEU U-Mo full-size IRT type fuel elements was started in the MIR reactor. Four prototype fuel elements for Uzbekistan WWR SM reactor are being tested simultaneously - two of tube type design and two of pin type design. The dismountable irradiation devices were constructed for intermediate reloading and inspection of fuel elements during reactor testing. The objective of the test is to obtain the experimental results for determination of more reliable design and licensing fuel elements for conversion of the WWR SM reactor. The heat power of fuel elements is measured on-line by thermal balance method. The distribution of fission density and burn-up of uranium in the volume of elements are calculated by using the MIR reactor MCU code (Monte-Carlo) model. In this paper the design of fuel elements, the technique, main parameters and preliminary results are described. (author)
A clean benchmark experiment on beryllium was performed with D-T neutrons at the FNS facility of the Japan Atomic Energy Agency. The main objective was to verify the integral data related to the tritium production on lithium isotopes. Tritium production rates, as well as activation reaction rates were measured inside the beryllium assembly that was shaped as a pseudo-cylindrical slab with an area-equivalent diameter of 628 mm and a thickness of 355 mm. Experimental results were analyzed with a three-dimensional Monte Carlo transport code MCNP-4C and FENDL/MC-2.0, JENDL-3.2/3.3 neutron transport libraries. Evaluation of reaction rates was based on the cross section data taken from the JENDL Dosimetry File and ENDF B-VI data libraries. Analysis shows that all calculation combinations (transport and activation cross section libraries) used for evaluation of reaction rates give data that is agreeable with measured values within 10%.
This quarterly report, for the period April 1-June 30, 1982, summarizes Sandia's activities in coal liquefaction process research. The overall objectives of the program are to understand the mechanisms and determine the role of catalysts in the direct conversion of coal to liquids. Primary emphasis is being given to the Integrated Two-Stage Liquefaction (ITSL) process. Specific tasks include: short-contact time coal liquefaction, mineral matter effects and catalyst studies. During this period, work was done on: the characteristics of a Liquefaction (ITSL) facility at New Brunswick, NJ; the kinetics of hydrogenation and dehydrogenation of pyrene and dihydropyrenes in batch microreactors; the impact of coal cleaning on the effectiveness of two types of slurry phase catalysts; the deactivation of aged catalyst samples obtained from the H-Coal PDU; and a catalyst deactivation model for the H-Coal PDU.
The main objective of this work was to investigate the biosorption performance of unmodified and Cetylpyridinium chloride (CPC)-modified biomass of Penicillium YW 01 for Acid Blue 25 (AB 25). Maximum biosorption capacity of AB 25 onto CPC-modified biosorbent was 118.48mgg^-^1 under phosphoric-phosphate buffer with initial dye concentration of 200mgL^-^1 at 30^oC. The biosorption pattern of AB 25 onto unmodified biosorbent in aqueous solution and phosphoric-phosphate buffer was well fitted with both Langmuir and Freundlich isotherm models. While the equilibrium data of CPC-modified biosorbent in aqueous solution and phosphoric-phosphate buffer failed to fit the Freundlich isotherm model, indicating the monolayer biosorption formed onto CPC-modified biosorbent. The values of initial biosorpt...
The absorption of carbonyl sulfide in aqueous methyldiethanolamine (MDEA) was studied over a range of temperatures and MDEA concentrations. MDEA is commonly used for selective absorption of hydrogen sulfide in the presence of carbon dioxide. However, sulfur in the form of COS may also be present and it is necessary that estimates of absorption rates of this compound be made. The objective of this study is to determine the physiochemical properties needed to predict COS absorption rates in aqueous MDEA. Free gas solubility and the diffusivity of COS in MDEA solutions were measured over the temperature range 15 to 40{sup 0}C for MDEA concentrations up to 30 weight per cent using the nitrous oxide analogy method. Solubilities were measured volumetrically in an equilibrium cell and diffusivities were measured using a laminar liquid jet absorber. The kinetics of the reaction between COS and MDEA were studied by measuring absorption rates in a single ...
The results of this study show that Monte Carlo simulations of diffusion in homogeneous turbulence can be formulated in terms of the Eulerian space-time velocity autocorrelation function. Numerical results obtained using this approach agree with results obtained by Taylor (1921) using the Lagrangian autocorrelation function. Use was made of the equivalence of the Lagrangian and Eulerian Monte Carlo approaches to derive analytic relations between the Lagrangian integral time scale and the Eulerian integral space and time scales. These analytic results were verified by comparison to Monte Carlo simulations and to other theoretical results. They are in general agreement with many existing theories and semi-empirical relations.
ObjectivesThe overall aim of this work is to use an in-situ FTIR probe to investigate selected heterogeneous catalysts in industrially relevant organic reactions. This approach will be broadly applicable to the UK fine chemical manufacturing base.~%~~%~The project has the following specific objectives:~%~~%~- To demonstrate and develop the use of an in-situ FTIR probe in a batch reactor at elevated temperatures (eg greater than 100 deg C) to monitor reactant usage and product formation.~%~~%~- To validat [continued...]DescriptionThis proposal concerns the in-situ study of catalytic processes and reaction kinetics. The catalysts concerned are microporous materials, such as, zeolites, containing pores and cavities of molecular dimensions. These catalysts constitute crystal reactors on a nanometer scale that are selective on a size and shape basis for organic molecules used ...
Single-crystalline nanostructures often exhibit gradients of surface (and/or interface) curvature that emerge from fabrication and growth processes or from thermal fluctuations. Thus, the system-inherent capillary force can initiate morphological transformations during further processing steps or during operation at elevated temperature. Therefore and because of the ongoing miniaturization of functional structures which causes a general rise in surface-to-volume ratios, solid-state capillary phenomena will become increasingly important: On the one hand diffusion-mediated capillary processes can be of practical use in view of non-conventional nanostructure fabrication methods based on self-organization mechanisms, on the other hand they can destroy the integrity of nanostructures which can go along with the failure of functionality. Additionally, capillarity-induced shape transformations are effected and can thereby be controlled by applied fields and forces (guided or driven ...
Gyrokinetic particle simulation of edge pedestal formation and plasma rotation dynamics will be presented, and compared with experimental observations. Realistic tokamak edge geometry is used which include separatrix/X-point and material wall from EFIT g-eqdsk data. In order to handle adequately the spatially inhomogeneous electric potential in the scrape-off region, the full-f electron technique is used, in addition to the full-f ions. Monte Carlo neutral particles with wall recycling coefficient will be included self-consistently with the plasma kinetics. Ion-ion Coulomb collisions will be particle, momentum and energy conserving. Energy source for the pedestal and scrape-off plasmas is the heat flow from the core plasma, and the particle source is the ionization of the neutral atoms which are either wall recycled and/or gas puffed. The simulation will be self-consistent with the first principles nonlinear neoclassical and (electrostatic so ...
We have studied the dissolution behavior of uraninite, becquerelite, schoepite and uranophane. The information obtained under a variety of experimental conditions has been combined with extensive solid phase characterizations, performed in both leached and unleached samples. The overall objective is to construct a thermodynamic and kinetic model for the long-term oxidation alteration of UO{sub 2}(s), as an analogy of the spent nuclear fuel matrix. We have determined the solubility product for becquerelite (logK{sub s0} 32.7{+-}1.3) and uranophane (logK{sub s0} = 7.8{+-}0.8). In some experiments, the reaction progress has shown initial dissolution of uranophane followed by precipitation of a secondary solid phase, characterized as soddyite. The solubility production for this phase has been determined (logK{sub s0} = 3.0{+-}2.9). We have studied the kinetics of dissolution of uraninite, uranophane and schoepite under ...
This report describes the results obtained during Stage 13 of a long-term research and development program concerning the development of diagnostics and monitoring methods for nuclear reactors. A brief proposal for the continuation of this program in Stage 14 is also given at the end of the report. The program executed in Stage 13 consists of three parts and the work performed in each part is summarized below. 1. Study of criticality, neutron kinetics and neutron noise in molten salt reactors (MSR). Although the original goal of the investigations of the MSR in Stage 13 was to calculate the neutron noise induced by the fluctuations of the fuel temperature, the study, solution and interpretation of the static problem, as well as to define an approximate version of the point kinetic approximation was necessary to perform. As it turned out, these tasks in themselves were more involved, and also very edifying, to solve. Hence, in this report, we ...
Details of the interaction of photons with tissue phantoms are elucidated using Monte Carlo simulations. In particular, photon sampling volumes and photon pathlengths are determined for a variety of scattering and absorption parameters. The Monte Carlo simulations are specifically designed to model light delivery and collection geometries relevant to clinical applications of optical biopsy techniques. The Monte Carlo simulations assume that light is delivered and collected by two, nearly-adjacent optical fibers and take into account the numerical aperture of the fibers as well as reflectance and refraction at interfaces between different media. To determine the validity of the Monte Carlo simulations for modeling the interactions between the photons and the tissue phantom in these geometries, the simulations were compared to measurements of aqueous suspensions of polystyrene microspheres in the ...
In the fields of medical imaging, geophysical well logging, and industrial radiography, it is often of interest to characterize the spatially distributed sensitivities of neutron and gamma-ray measurement devices to the physical properties of the materials being examined. For instance, one may wish to know how the count rate in a detector varies in response to small changes in the local density of the irradiated object as a function of position. Experimental determination of such sensitivity functions is often impractical. Consequently, we have developed a general three-dimensional Monte Carlo numerical technique that allows us to directly compute the differential sensitivity of an arbitrary integral response parameter, such as a time- or energy-discriminated count rate, with respect to the spatial distribution of macroscopic cross sections and sources in the irradiated medium. Sensitivities to object density, porosity, ...
Full text: Radiotherapy treatment planning (RTP) relies heavily on medical imaging. Until recently, the most important planning tool was the treatment simulator. The kilovoltage radiographic capabilities in a treatment simulator enabled the boundaries of treatment fields to be visualized with respect to bony anatomic landmarks. Perhaps the most important advance in treatment planning in recent years is the ability to visualize the passage of the beams with respect to a more accurate geometrical representation of the tumor and other soft tissue structures. This 'virtual simulation' uses a computer-based representation of a patient to determine the extent of the disease and the location of radiation sensitive normal tissue. Computer tomographic (CT) imaging produces a high-resolution three-dimensional representation of anatomy that can be correlated with other image sets such as magnetic resonance images (MRI) of function. Positron emission tomographic (PET) imaging is beginning to be ...
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)
Monte Carlo methods have been used to compute k{sub eff} and the fundamental mode eigenfunction of critical systems since the 1950s. While such calculations have become routine using standard codes such as MCNP and SCALE/KENO, there still remain 3 concerns that must be addressed to perform calculations correctly: convergence of k{sub eff} and the fission distribution, bias in k{sub eff} and tally results, and bias in statistics on tally results. This paper provides a review of the fundamental problems inherent in Monte Carlo criticality calculations. To provide guidance to practitioners, suggested best practices for avoiding these problems are discussed and illustrated by examples.
Monte Carlo criticality calculations have been performed for over 50 years for reactor physics and criticality safety applications. With today's faster computers, these calculations are being carried out to greater precision (smaller uncertainties) in keff, and detailed distributions of power and reaction rates are being computed routinely. This paper provides a review of the fundamental theory of Monte Carlo criticality calculations, with guidance on practical methods for: (1) assuring convergence of both keff and the source distribution, (2) minimizing the bias in keff and reaction rate distributions, and (3) dealing with the under-prediction bias in uncertainties for keff and reaction rate distributions. (authors)
We argue that the tachyons which exist in some string models are a signal of deconfinement. We compare the deconfinement temperature obtained from Monte Carlo calculations with some string models. (orig.).
We argue that the tachyons which exist in some string models are a signal of deconfinement. We compare the deconfinement temperature obtained from Monte Carlo calculations with some string models. (orig.).
Ray tracing Monte Carlo calculations have been carried out using an existing Monte Carlo radiation transport code to obtain estimates of the microsave power exiting the torus coupling links in EPT microwave manifolds. The microwave power loss and polarization at surface reflections were accounted for by treating the microwaves as plane waves reflecting off plane surfaces. Agreement on the order of 10% was obtained between the measured and calculated output power distribution for an existing EBT-S toroidal manifold. A cost effective iterative procedure utilizing the Monte Carlo history data was implemented to predict design changes which could produce increased manifold efficiency and improved output power uniformity.
The Monte Carlo method is used to analyse the dose fall-off at the exit surface of a megavoltage photon beam. The convolution/superposition method of dose calculation using Monte-Carlo-generated homogeneous photon kernels is shown to be in error for exit dose calculation. Instead, photon kernels that incorporate modelling of the exit surface were generated, also using Monte Carlo, to analyse the problem, and the calculated dose fall-off using these kernels agrees well with measured data. In addition, the physics underlying the characteristics of the dose fall-off is analysed based on complete Monte Carlo modelling. Practical improvements to the convolution/superposition method are suggested. (Author).
The objective of this project is to develop a pellet formulation which is capable of achieving low sulfur partial pressures and a high capacity for sulfur, loaded from a hot fuel gas and which is readily regenerable. Furthermore the pellet must be strong for potential use in a fluidized bed and regenerable over many cycles of loading and regeneration. Regeneration should be in air or oxygen-depleted air to produce a high-concentration sulfur dioxide. Fixed-bed tests were conducted with several formulations of manganese sesquioxide and titania, and alumina They were subject to a simplified fuel gas of the oxygen-blown Shell type spiked with a 30,000ppmv concentration of H{sub 2}S. Pellet crush strengths for 4 and 2mm diameter pellets was typically 12 lbs per pellet and 4 lbs per pellet, respectively. For the most favorable of the formulations tested and under the criteria of break-through at less than 100ppmv H2S and loading temperatures of 500{degrees}C and an ...
Objective: To apply the obtained results from 3 stages of research in Chinese radiation protection field. Methods: Based on the identification of physical, chemical and biological qualities for element and its radionuclides under equilibrium condition, main application of these results in Chinese radiation protection field have been discussed by using reported methods in literature. Results: Based on developing elemental reference values of organs or tissues, whole body burdens and their distribution for Chinese Reference Man, discussed in the above 3 articles, current dietary elemental intakes of 42 elements have been updated, and related basis for certain important parameters of bio-kinetic model for use in radiation protection (for example, f_l, T_e and T_b) have been provided. The internal doses from primordial radionuclides and transfer coefficients of elements from environment into the critical organs of Chinese adult men have been ...
The plasma plume generated by a new type of high energy Janitor known as the railplug, is examined. The railplug is a miniaturized railgun that has the potential for improving ignition characteristics of combustible mixtures in engines. The objective of the study is to gain an uderstanding of the characteristics of the plasma created by a transparent railplug, and to validate a multidimensional computer simulation of the plasma and shock fronts. The nature of the plume emitted by the railplug was examined for three levels of electrical energy while firing into air at a pressure of 1 atm. The computer model is to be used to predict trends in railplug performance for various railplug designs, energies, and ambient conditions. The velocity of the plasma movement inside a transparent railplug was measured, as well as the velocity of the plume ejected from the cavity. A shock is produced at the initiation point of the arc and propagates down the cavity, eventually ...
'The primary objective of this research project is to acquire a deeper fundamental knowledge of acoustic cavitation and cavitation chemistry, and in doing so, to ascertain how ultrasonic irradiation can be more effectively applied to environmental problems. Four on-going projects will be described in this progress report, The first project is the destruction of carbofuran in a Near-Field Acoustical Processor (NAP), and the hydrodynamic characterization of the reactor. The second project is a comprehensive study of how ultrasonic frequency influences sonochemical reaction rates; the substrate it, the preliminary portion of this study has been hydrogen peroxide formation. The third project in progress is destruction of four polychlorinated biphenyls at 20 kHz. Work so far has been at 20 kHz, but the most significant portion of this project will involve a multi-frequency (ultrasonic frequency) study. Finally, the destruction of a pesticide, dichlorvos, during ...
The objectives of this project are to support the DOE direct coal liquefaction process development program and to improve the useful application of analytical chemistry to direct coal liquefaction process development. Independent analyses by well-established methods will be obtained of samples produced in direct coal liquefaction processes under evaluation by DOE. Additionally, analytical instruments and techniques which are currently underutilized for the purpose of examining coal-derived samples will be evaluated. The data obtained from this study will be used to help guide current process development and to develop an improved data base on coal and coal liquids properties. A sample bank will be established and maintained for use in this project and will be available for use by other researchers. The reactivity of the non-distillable resids toward hydrocracking at liquefaction conditions (i.e., resid reactivity) will be examined. From the literature and data ...
This thesis presents the work achieved to instrument the ATLAS software framework, ATHENA, with a library of tools and utensils for the physics analysis as well as the extraction of the jet energy scale using physics events (in-situ calibration). The software part presents the various components of the ATHENA framework which handles the simulated and reconstructed data flow as well as the different stages of this process, before and during the data taking. The building of a library of tools easing the reconstruction of physics objects, their association with Monte-Carlo particles and their API is then explained. The need for common language and collaboration-wide utensils is emphasised as it allows to share the workload of validating these tools and to get reproducible physics results. The analysis part deals with the implementation of a light jet energy scale calibration algorithm within the C++ framework. This calibration algorithm makes use ...
Set up in 2004 by the A.C.R.O. the citizens network of radioecological surveillance, information and evaluation (R.I.V.I.E.R.E.) aims at making a follow-up of the radioactive contamination of the aquatic ecosystems on the scale of the Seine-Normandy pond: from Nogent-on-Seine to La Hague and from the Mont-Saint-Michel to the Treport. The peculiarity of this network, which also makes its strength is to associate strictly all those who wish to appropriate the knowledge of the radioactivity levels around to them. With R.I.V.I.E.R.E., the citizen is at the same moment an author and an actor of the surveillance of his environment as his information. An approach defended by the A.C.R.O. since about 20 years and which has no equivalent anywhere else. This project has four main objectives: to know the levels and the tendencies of the present radioactivity in the main aquatic ecosystems of the Seine-Normandy widened pond, and so feed a data base ...
The proton beam has a unique advantage over the electron and photon beams in that it can give very high radiation dose to the tumor volume, while effectively sparing the neighboring healthy tissue and organs. For the clinical application of the proton beam, it is very important to confirm the location of the proton beam in the patient, preferentially during the treatment. It has been suggested that the range of the proton beam in the patient can be determined by measuring prompt gammas from the proton beam passage. Recently, a prototype prompt-gamma scanning system has been constructed and tested using experimental and therapeutic proton beams. The measurement results for the proton beams of 70 . 230 MeV showed that a clear correlation exists between the distribution of the prompt gammas and the proton beam range. The scanning method, however, is not suitable for the upcoming 'spot scanning' technique. The 'spot scanning' technique provides ...
The Monte Carlo simulation method is applied to calculate the nucleon transfer part of the imaginary optical-model potential in colliding heavy ions. In the process of transfer of nucleons from one nucleus to the other, forward and backward neutrons and protons are treated separately by taking into consideration the effect of the Coulomb forces and the potential energy surfaces (driving forces). The Pauli exclusion principle is also incorporated properly in the calculation.
A thermal neutron imaging facility for computed tomography and real-time neutron radiography is being developed at the University of Texas at Austin. The TRIGA reactor is a graphite-reflected Mark It pool-type research reactor. The neutron imaging facility will use beam port, which is at one end of a through part. Monte Carlo calculations were used to design the neutron collimator for this facility.
Monte Carlo calculations performed to validate observed capture reaction rates of "1"2"9I and "2"3"7Np were in a reasonable agreement with experimental data obtained by the Joint Institute for Nuclear Research. The most significant discrepancy between the measurements and calculations (within a factor of 3) was observed for the NpO_2 sample and Pb target at 3.7 GeV proton energy
During the last few decades, accuracy in photon and electron radiotherapy has increased substantially. This is partly due to enhanced linear accelerator technology, providing more flexibility in field definition (e.g. the usage of computer-controlled dynamic multileaf collimators), which led to intensity modulated radiotherapy (IMRT). Important improvements have also been made in the treatment planning process, more specifically in the dose calculations. Originally, dose calculations relied heavily on analytic, semi-analytic and empirical algorithms. The more accurate convolution/superposition codes use pre-calculated Monte Carlo dose "kernels" partly accounting for tissue density heterogeneities. It is generally recognized that the Monte Carlo method is able to increase accuracy even furt...
An accurate neutronics calculation of a local thermal environment within a fast reactor presents a major challenge. A method was previously described that used Monte Carlo techniques within a macrocell to make accurate and reasonably efficient design calculations for such an environment. This method is now being further optimized for the calculation of "2"3"8Pu production in the Fast Flux Test Facility (FFTF). Here, it is not only important to determine the "2"3"8Pu production from neutron capture in "2"3"7Np, but also to calculate the production of the contamination isotope "2"3"6Pu from high-energy (n,2n) and (#gamma#,n) reactions. The power of the Monte Carlo method to automatically include geometry and energy self-shielding is retained by optimization using fission neutron source biasing in both space and energy.
An ytterbium-169 high dose rate brachytherapy source, distinguished by an intensity-weighted average photon energy of 92.7 keV and a 32.015#+-#0.009 day half-life, is characterized in terms of the updated AAPM Task Group Report No. 43 specifications using the MCNP5 Monte Carlo computer code. In accordance with these specifications, the investigation included Monte Carlo simulations both in water and air with the in-air photon spectrum filtered to remove low-energy photons below 10 keV. TG-43 dosimetric data including S_K, D(r,#theta#), #LAMBDA#, g_L(r), F(r,#theta#), #phi#_a_n(r), and #phi#_a_n were calculated and statistical uncertainties in these parameters were derived and calculated in the appendix.
Monte Carlo calculations using the codes PENELOPE and GEANT4 have been performed to characterize the dosimetric properties of monoenergetic photon point sources in water. The dose rate in water has been calculated for energies of interest in brachytherapy, ranging between 10 keV and 2 MeV. A comparison of the results obtained using the two codes with the available data calculated with other Monte Carlo codes is carried out. A chi2-like statistical test is proposed for these comparisons. PENELOPE and GEANT4 show a reasonable agreement for all energies analyzed and distances to the source larger than 1 cm. Significant differences are found at distances from the source up to 1 cm. A similar situation occurs between PENELOPE and EGS4.
The Polarized Gamma-ray Observer (PoGOLite) is a balloon-borne instrument that will measure gamma-ray polarization in the energy range 25-80 keV from astronomical sources such as pulsars, accretion discs and jets from active galactic nuclei. The two additional parameters provided by such observations, polarization angle and degree, will allow these objects to be studied in a new way, providing information about their emission mechanisms and geometries. The instrument measures azimuthal scattering angles of photons within a close packed array of phoswich detector cells (PDCs) based on coincident detection of Compton scattering and photoelectric absorption. Each PDC comprises three different scintillating components and combines photon detection, active collimation and bottom anticoincidence into one single unit. The three parts are viewed by a photomultiplier tube (PMT) and pulse shape discrimination is used to identify signals from dierent parts. Surrounding the ...
We have studied the application of direct aperture optimization (DAO) as an inverse planning tool for breast IMRT. Additionally, we have analysed the impact of respiratory motion on the quality of the delivered dose distribution. From this analysis, we have developed guidelines for balancing the desire for a high-quality optimized plan with the need to create a plan that will not degrade significantly in the presence of respiratory motion. For a DAO optimized breast IMRT plan, the tangential fields incorporate a flash field to cover the range of respiratory motion. The inverse planning algorithm then optimizes the shapes and weights of additional segments that are delivered in combination with the open fields. IMRT plans were generated using DAO with the relative weights of the open segments varied from 0% to 95%. To assess the impact of breathing motion, the dose distribution for the optimized IMRT plan was recalculated with the isocentre sampled from a predefined distribution in a ...
BackgroundWe investigated the influence of parenteral glucose infusion on insulin-driven tight glucose control (4.4–6.1 mmol/liter) in the critically ill by appraising kinetic...Full Text Available
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
Several compact proton accelerator systems for use in proton therapy have recently been proposed. Of paramount importance to the development of such an accelerator system is the maximum kinetic energy...Full Text Available
The kinetics of the degradation of trichloroethylene (TCE) and seven other chlorinated aliphatic hydrocarbons by Methylosinus trichosporium OB3b were studied. All experiments were performed with cells...Full Text Available
Pyrophosphate:fructose-6-phosphate phosphotransferase (PFP) was purified over 500-cold from endosperm of germinating castor bean (Ricinus commiunis L. var. Hale). The kinetic properties...Full Text Available
We have characterized the kinetic response of gene targets throughout the murine genome to transcriptional modulation by the glucocorticoid receptor (GR). In contrast to a model in which multiple genes...Full Text Available
A specific immunoglobulin, the receptor antibody, can be found in most patients with myasthenia gravis. In order to study the kinetic properties of this antibody, serial determinations of receptor antibody,...Full Text Available
The mechanism by which mechanical force regulates the kinetics of a chemical reaction is unknown. Here, we use single-molecule force–clamp spectroscopy and protein engineering to study the effect...Full Text Available
Fibroblast cell population kinetics in the developing molar periodontal ligament was investigated in 10, 12, 16 and 20 days old mice by autoradiography after the administration of [3H]thymidine. Labelled...Full Text Available
We modified an existing enzyme-linked immunosorbent assay (ELISA) to be able to use new spectrophotometers which can measure the rate of color development in microtiter wells. This new kinetic-based...Full Text Available
We present the formulation and testing of a mathematical model for the kinetics of homotypic cellular aggregation. The model considers cellular aggregation under no-flow conditions as a two-step process....Full Text Available
Isothermal transformation kinetics of austenite to acicular ferrite and allotriomorphic ferrite were measured in reheated low alloy steel weld deposits with similar weld compositions and austenite grain size but different inclusion characteristics. Accelerated kinetics of transformation to acicular ferrite were observed in weld metal containing coarser and titanium-rich inclusions. In contrast, kinetics of transformation to allotriomorphic ferrite were not influenced by inclusion characteristics, but, rather, by the austenite grain size and carbon concentration.
This work deals with kinetic description of carbothermic reduction of iron oxides using microwaves as power source. Previous researches show that it is possible to conduct this kind of process successfully, but real kinetic comparisons between conventional and microwaves procedure have been presented partially. The aim of this work is to describe reduction kinetics, taking into account how the iron oxide is reduced by microwaves compared with conventional energy supply. In this study the authors used iron ore in pellet shape and dust. They found that both, pellet and dust reduction stops when it reaches approximately 40%, even at whole power.
Studies dialysis kinetics of zinc dialkyldithiophosphates, detergent-dispersing agents, alkyl-phenols and base oils. It was established that diffusion kinetics of oil hydrocarbons through membrane of individual compounds and narrow fractions is described by Brinzinger's formula, which is identical to the kinetic reaction formula of the 1st order. It was shown that dialysis can be utilized to determine the content of the ''active substance'' only in sulphonate and alkylsalycilate additives. Increasing temperature from 20 to 40/sup 0/ results in an increased dialysis constant for all studied products by 1.4-1.9 times.
A Monte Carlo simulation of the vacuum Bianchi type-IX (mixmaster) cosmology yields a significant correlation between large universe volume and high anisotropy. An analog of the model's chaotic classical behavior is seen in the break up of the universe wave function at large volume into fingers in the corners of the minisuperspace anisotropy potential.
This paper reports on Monte Carlo path integral simulations of a Bianchi Type IX cosmology which yield a wave function which reflects the known chaotic dynamics of the classical system and predicts a significant probability for a correlation between large universe volume and large anisotropy.
The reference medium for brachytherapy dose measurements is water. Accuracy of dose measurements of brachytherapy sources is critically dependent on precise measurement of the source–detector...Full Text Available
The Feynmann and other fluctuation techniques have been shown to be useful for determining the multiplication of subcritical systems. The moments of the counting distribution from neutron detectors is analyzed to yield the multiplication value. We present the methodology and some selected applications and results and comparisons with Monte Carlo calculations.
Initial results obtained with a Monte Carlo computer program designed to link initial physical events in irradiated liquid water with subsequent chemical and biological events are presented. 10 refs., 4 figs., 3 tabs.
Accurate dose calculation in radiation treatment planning is most important for successful treatment. Since human body is composed of various materials and not an ideal shape, it is not easy to calculate the accurate effective dose in the patients. Many methods have been proposed to solve inhomogeneity and surface contour problems. Monte Carlo simulations are regarded as the most accurate method, but it is not appropriate for routine planning because it takes so much time. Pencil beam kernel based convolution/superposition methods were also proposed to correct those effects. Nowadays, many commercial treatment planning systems have adopted this algorithm as a dose calculation engine. The purpose of this study is to verify the accuracy of the dose calculated from pencil beam kernel based treatment planning system comparing to Monte Carlo simulations and measurements especially in inhomogeneous region. Home-made inhomogeneous phantom, Helax-TMS ...
BackgroundPlotless density estimators are those that are based on distance measures rather than counts per unit area (quadrats or plots) to estimate the density of some usually stationary...Full Text Available
Classical molecular dynamics simulations are carried out to investigate the salvation shell exchange kinetics of potassium ion in bulk water, chloroform, and carbon tetrachloride. The reactive flux method is used to compute the dissociation rates. The influence of the solvent on the reaction rates and kinetic properties of this exchange process will be discussed. Comparison will be also be made to the prediction of the Grote-Hynes theory.
The baryogenesis process in the early hot universe is investigated by means of relativistic kinetic theory. An exact solution to the kinetic equations for supermassive bosons serves to refine previous results: the optimum baryon-production domain is now complemented by bosons of low mass, thus removing the cosmological lower bound that had limited the mass of superheavy bosons. 14 references.
A formula is obtained which describes the kinetics of low-temperature radiation hardening caused by creation of dislocation loops of interstitial type during irradiation. The radiation hardening of aluminum and vanadium is estimated using this formula and results of experiments on studying processes of nucleation and growth of interstitial dislocation loops in these materials by transparent electron microscopy. It is shown that the proposed formula is valid for description of the kinetics of low-temperature radiation hardening.
The kinetics of lead distribution was studied in suckling and adult rats 8 days after a single intraperitoneal injection of "2"0"3Pb. Marked differences were observed in the kinetics of lead retention and distribution in suckling as compared to adult rats. The rate of "2"0"3Pb disappearance was lower in the whole body, blood and kidneys, but higher in the liver, while the deposition processes predominated in the brain, femur and teeth of sucklings as compared to adult animals. (auth).
The kinetics of the reaction of zirconium phosphates with carbon tetrachloride in sodium and potassium chloride melt as well as the effect of temperature, gas flow, solubility and weight of the solid phase of the phosphate, and stirring of the melt on the chlorination rate has been studied. The kinetic parameters of the reaction (rate constants, activation energy, etc.) have been calculated.
Thermodynamic analysis of dissolution processes of tungsten minerals in citric acid solutions in the absence and in the presence of hydrochloric acid has been carried out by means of calculation of Gibbs energy of the chemical reactions. Kinetic characteristics, such as specific dissolution rates and activation energies, are determined. It is established that the dissolution reactions studied take place in kinetic region. A possibility of scheelite selective dissolution in the presence of other tungsten minerals is shown.
The kinetic parameters, ..cap alpha.. the coupling coefficient and tau-bar the mean neutron transit time have been determined using a reactor oscillator on the coupled-core of the Queen Mary College research reactor. By using correlation techniques it has proved possible to use detectors small enough to be inserted in the fuel tanks. It is shown that the simplified Baldwin model with one-group diffusion theory is inadequate to describe the kinetic behaviour and the experimentally-determined parameters are dependent upon the positioning of the detectors.
A method, which estimates the lightning performance of high voltage transmission lines based on the Monte-Carlo simulation technique, is described in this paper. The average number of faults which occur in a transmission line, dividing them in single-phase and three-phase faults, as well as the average grounding resistances of the transmission lines are calculated. The method is applied, on several operating Greek transmission lines, showing good correlation between predicted and field observation results. The proposed method can be used as a useful tool in the design of electric power systems, aiding in the right insulation dimensioning of a transmission line.(author)
This work reports on the use of three state-of-the-art Monte Carlo codes (MCNPX, PENELOPE, FLUKA) in the efficiency calibration of a Broad-Energy Germanium (BEGe) detector. Initial discrepancies found between the experimental and computational efficiency values are related to the poor knowledge of some physical parameters of the detector (dead-layers, crystal dimensions, etc.). As a consequence, a sensitivity analysis was carried out. Each parameter was systematically analyzed, and an accurate model of the detector was determined. The obtained results are consistent, allowing this model to be used in computational efficiency calibrations of the equipment at stake.
The Monte Carlo ray-tracing method is applied and coupled with optical properties to predict the radiation performance of solar concentrator/cavity receiver systems. Several different cavity geometries are compared on the radiation performance. A flux density distribution measurement system for dish parabolic concentrators is developed. The contours of the flux distribution for target placements at different distances from the dish vertex of a solar concentrator are taken by using an indirect method with a Lambert and a charge coupled device (CCD) camera. Further, the measured flux distributions are compared with a Monte Carlo-predicted distribution. The results can be a valuable reference for the design and assemblage of the solar collector system.
A Monte Carlo method called transient curve fitting method was developed to calculate a eigenvalues by first simulating the existing neutrons and precursors in the system, then calculating the Eigen-distribution of neutron flux and calculating the a eigenvalues using the transient results based on the Eigen-distribution by the code TMCC. The results of this method are tested by calculating Godiva Benchmark problems and they agree well with the benchmark results. Then the reasonable results of Subcritical Facility in Tsinghua University are given by TMCC, and the results are compared with the experimental results measured by Rossi-a method. Even in the deep subcritical cases, the method can give results consistent with experimental results. (authors)
The global effect of activation cross-section uncertainties on calculated radiological quantities is investigated for the first time using a methodology based on Monte Carlo random sampling. The method is applied to the calculation of the uncertainty in the contact dose rate from the gunite shielding of the National Ignition Facility chamber after 30 yr of pulsed irradiation. Some critical cross section contributing significantly to the overall uncertainty are identified. By a reasonable reduction of the uncertainty in those cross sections, the accuracy in the calculated total contact dose rate is greatly improved.
This paper presents calculations of the {sup 252}Cf-source-driven noise analysis measurements for subcritical highly enriched uranium metal cylinders using the Monte Carlo code MCNP-DSP. This code directly calculates the noise analysis data from the {sup 252}Cf- source-driven noise analysis method for both neutron and gamma ray detectors. Direct calculation of experimental observables by the Monte Carlo method allows for the benchmarking of the calculational model and the cross sections and for determining the bias in the calculation.
During the last few decades, accuracy in photon and electron radiotherapy has increased substantially. This is partly due to enhanced linear accelerator technology, providing more flexibility in field definition (e.g. the usage of computer-controlled dynamic multileaf collimators), which led to intensity modulated radiotherapy (IMRT). Important improvements have also been made in the treatment planning process, more specifically in the dose calculations. Originally, dose calculations relied heavily on analytic, semi-analytic and empirical algorithms. The more accurate convolution/superposition codes use pre-calculated Monte Carlo dose 'kernels' partly accounting for tissue density heterogeneities. It is generally recognized that the Monte Carlo method is able to increase accuracy even further. Since the second half of the 1990s, several Monte Carlo dose engines for radiotherapy treatment planning have been introduced. To ...
One of the refinements of modern Nuclear Medicine is the capacity of providing dynamic and kinetics images of the administered radiopharmaceutical, reproducing its transport mechanism, action sites, receptor binding and excretion route. With the continues technological advances new radiopharmaceuticals have been developed in order to express higher specificity and with higher characters of affinity between receptor/complex. One radiopharmaceutical is formed by a reagent or bio molecule that has in its structure a radioisotope, that has the objectives of carrying it to the organs of affinity or to benign or malign tumoral process. Somatostatin inhibits the growing and proliferation of several tumoral cells. Somatostatin analogs bind to somatostatic receptors that are expressed in different kind of neoplasia DOTA-LANREOTIDE (DOTALAN) is an octapeptide analog to somatostatin. The interest of labeling the bio conjugate with gallium-67 in Nuclear ...
Four-enzyme section of the shikimate pathway (Aro B, D, E, and K) of Streptococcus pneumoniae has been studied. Kinetic properties of the individual enzymes and three- and four-enzyme linked reactions have been characterized in vitro. On the basis of the data measured in spectrophotometric and LC-MS experiments, kinetic mechanisms of the enzymes have been suggested and all kinetic parameters have been identified. Kinetic models for these three- and four-enzyme sections of the shikimate pathway have been constructed and validated. The model of the four-enzyme section of shikimate pathway has been employed to design an inhibition-sensitive reconstituted pathway for a high-throughput screening effort on the shikimate pathway. It was demonstrated that using the model it was possible to optimize this reconstituted pathway in such a way to provide equal sensitivity of the enzymes to inhibition. PMID:16921527
In this work, the pulse plasma nitriding process of pure iron is modelled using a kinetic model derived from the Fick's laws. This approach based on the error function model allows to simulate the growth kinetics of a biphase configuration consisting of {gamma}'-Fe{sub 4}N{sub 1-x} and {epsilon}-Fe{sub 2-3}N iron nitrides under specified conditions. By coupling the kinetics data about the diffusivities of nitrogen in {alpha}-Fe, {gamma}' and {epsilon} phases to the thermodynamic description of the Fe-N phase diagram, it is possible to evaluate the kinetic constant at each growing phase interface, the thickness of nitrided layer, and predict the nitrogen concentration profiles. The comparison between the experimental and theoretical results shows the reliability of the simulation results.
In this work, the pulse plasma nitriding process of pure iron is modelled using a kinetic model derived from the Fick's laws. This approach based on the error function model allows to simulate the growth kinetics of a biphase configuration consisting of #gamma#'-Fe_4N_1_-_x and #epsilon#-Fe_2_-_3N iron nitrides under specified conditions. By coupling the kinetics data about the diffusivities of nitrogen in #alpha#-Fe, #gamma#' and #epsilon# phases to the thermodynamic description of the Fe-N phase diagram, it is possible to evaluate the kinetic constant at each growing phase interface, the thickness of nitrided layer, and predict the nitrogen concentration profiles. The comparison between the experimental and theoretical results shows the reliability of the simulation results.
A kinetic study of the degradation by ozone of eight phenolic acids present in wastewaters from olive oil mills has been performed by using a competition kinetic method. The selected phenolic acids are: caffeic, p-coumaric, syringic, vanillic, 3,4,5-trimethoxybenzoic, veratric, p-hydroxy-benzoic, and protocatechuic. The influence of the operating variables (temperature, pH, and ozone partial pressure in the gas stream) is established, and the stoichiometric ratios for the individual direct reactions between ozone and each acid are determined. Once the reaction rate constants are evaluated, they are correlated as a function of temperature and pH into kinetic expressions which are provided for every phenolic acid. The global process occurs in the fast and pseudo-first-order kinetic regime of absorption, a condition required by the competition model to be used.
A detailed chemical kinetic reaction mechanism is developed to describe incineration of the chemical warfare nerve agent sarin (GB), based on commonly used principles of bond additivity and hierarchical reaction mechanisms. The mechanism is based on previous kinetic models of organophosphorus compounds such as TMP, DMMP and DIMP that are often used as surrogates to predict incineration of GB. Kinetic models of the three surrogates and GB are then used to predict their consumption in a perfectly stirred reactor fueled by natural gas to simulate incineration of these chemicals. Computed results indicate that DIMP is the only one of these surrogates that adequately describes combustion of GB under comparable conditions. The kinetic pathways responsible for these differences in reactivity are identified and discussed. The most important reaction in GB and DIMP that makes them more reactive than TMP or DMMP ...
The objective of the study was the kinetic modeling of the effect of storage temperature on the quality and shelf life of chilled fish, modified atmosphere-packed (MAP), and osmotically pretreated with the addition of nisin as antimicrobial agent. Fresh gilthead seabream (Sparus aurata) fillets were osmotically treated with 50% high dextrose equivalent maltodextrin (DE 47) plus 5% NaCl. Water loss, solid gain, salt content, and water activity were monitored throughout treatment and treatment conditions were selected for the shelf life study. Untreated and osmotically pretreated slices with and without nisin (2 x 10(4) IU/100 g osmotic solution), packed in air or modified atmosphere (50% CO(2)-50% air), and stored at controlled isothermal conditions (0, 5, 10, and 15 degrees C) were studied. Quality assessment and modeling were based on growth of several microbial indices, total volatile nitrogen, trimethylamine nitrogen, lipid oxidation ...
The Phebus FP project in an international reactor safety project. Its main objective is to study the release, transport and retention of fission products in a severe accident of a Light Water Reactor (LWR). The FPT4 test was performed with a fuel debris bed geometry, to look at late phase core degradation and the releases of low volatile fission products and actinides. Post Test Analyses results indicate that releases of noble gases (Xe, Kr) and high-volatile fission products (Cs, I) were nearly complete and comparable to those obtained during Phebus tests performed with a fuel bundle geometry (FPT1, FPT2). Volatile fission products such as Mo, Te, Rb, Sb were released significantly as in previous tests. Ba integral release was greater than that observed during FPT1. Release of Ru was comparable to that observed during FPT1 and FPT2. As in other Phebus tests, the Ru distribution suggests Ru volatilization followed by fast redeposition in the fuelled section. The ...
The objectives of this project are to support the DOE direct coal liquefaction process development program and to improve the useful application of analytical chemistry to direct coal liquefaction process development. Independent analyses by well-established methods will be obtained of samples produced in direct coal liquefaction processes under evaluation by DOE. Additionally, analytical instruments and techniques which are currently underutilized for the purpose of examining coal-derived samples will be evaluated. The data obtained from this study will be used to help guide current process development and to develop an improved data base on coal and coal liquids properties. A sample bank will be established and maintained for use in this project and will be available for use by other researchers. The reactivity of the non-distillable resids toward hydrocracking at liquefaction conditions (i.e., resid reactivity) will be examined. From the literature and data ...
Non-first order (FO) kinetics models are of three types; second order (SO), general order (GO) and mixed order (MO). It is shown that all three of these have constraints in their energy level schemes and their applicable parameter values. In nature such restrictions are not expected to exist. The thermoluminescence (TL) glow peaks produced by these models shift their position and change their shape as the trap occupancies change. Such characteristics are very unlike those found in samples of real materials. In these models, in general, retrapping predominates over recombination. It is shown that the quasi-equilibrium (QE) assumption implied in the derivation of the TL equation of these models is quite valid, thus disproving earlier workers' conclusion that QE cannot be held under retrapping dominant conditions. However notwithstanding their validity, they suffer from the shortcomings as stated above and have certain lacunae. For example, the ...
A scaling Monte Carlo method has been developed to calculate diffuse reflectance from multilayered media with a wide range of optical properties in the ultraviolet-visible wavelength range. This multilayered scaling method employs the photon trajectory information generated from a single baseline Monte Carlo simulation of a homogeneous medium to scale the exit distance and exit weight of photons for a new set of optical properties in the multilayered medium. The scaling method is particularly suited to simulating diffuse reflectance spectra or creating a Monte Carlo database to extract optical properties of layered media, both of which are demonstrated in this paper. Particularly, it was found that the root-mean-square error (RMSE) between scaled diffuse reflectance, for which the anisotropy factor and refractive index in the baseline simulation were, respectively, 0.9 and 1.338, and independently simulated diffuse ...
Molecular simulation aims at simulating particles in interaction, describing a physico-chemical system. When considering Markov Chain Monte Carlo sampling in this context, we often meet the same problem of statistical efficiency as with Molecular Dynamics for the simulation of complex molecules (polymers for example). The search for a correct sampling of the space of possible configurations with respect to the Boltzmann-Gibbs distribution is directly related to the statistical efficiency of such algorithms (i.e. the ability of rapidly providing uncorrelated states covering all the configuration space). We investigated how to improve this efficiency with the help of Artificial Evolution (AE). AE algorithms form a class of stochastic optimization algorithms inspired by Darwinian evolution. Efficiency measures that can be turned into efficiency criteria have been first searched before identifying parameters that could be optimized. Relative frequencies for each type ...
International standards and guidelines for calibrating high-dose dosimetry systems to be used in industrial radiation processing recommend that dose-rate effects on dosimeters be evaluated under conditions of use. This is important when the irradiation relies on high-current electron accelerators, which usually provide very high dose-rates. However, most dosimeter calibration facilities use low-intensity gamma radiation or low-current electron accelerators, which deliver comparatively low dose-rates. Because of issues of thermal conductivity and response, portable calorimeters cannot be practically used with high-current accelerators, where product conveyor speeds under an electron beam can exceed several meters per second and the calorimeter is not suitable for use with product handling systems. As an alternative, Monte Carlo calculations can give theoretical estimates of the absorbed dose in materials with flat or complex configurations such that the results are ...
Presented are the results of the investigation of the kinetics and micromechanism of the failure in impact bending of oriented-crystallized specimens having the eutectic composition Ni_3Al-Ni_3Nb and of the bimetal composed of 45 steel + M3 copper. The failure kinetics was studied by high-speed filming, whereas the fractures were studied by electron fractography. The particularities of the failure of the laminar-type composite materials were found. Analyzed was the effect of the kinetic factors and the mechanism of failure upon its energy consumption.
Kinetics of decomposition of gallium and alkali metal intermetallic compounds in the systems LiGa-LiOH, LiGa-NaOH and LiGa-KON was studied in the temperature range of 40-80 deg C. It was ascertained that increase in temperature gives rise to increase in decomposition rate, whereas increase in hydroxide concentration involves the reaction deceleration. An assumption was made that the decomposition occurs with superimposing of two mechanisms, i.e. chemical and electrochemical decomposition. Basic kinetic characteristics of the process were determined - decomposition rate constant and current density
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).
The development of detailed chemical kinetic reaction mechanisms for analysis of autoignition and knocking of hydrocarbon fuels is described. In particular, kinetic processes of concern for the oxidation of complex hydrocarbon fuel molecules are emphasized. The wide ranges of temperature and pressure which are encountered by end gases in automobile engine combustion chambers result in extreme demands on reaction mechanisms which are intended to describe knocking conditions and predict rates of combustion and ignition. The reactions and chemical species which are most important in each temperature and pressure regime are discussed, and the validation of these reaction mechanisms through comparison with idealized experimental results is described. 53 refs., 8 figs., 5 tabs.
The process of ensuring the quality of computer codes can be very time consuming and expensive. The Oak Ridge National Laboratory (ORNL) Monte Carlo codes all predate the existence of quality assurance (QA) standards and configuration control. The number of person-years and the amount of money spent on code development make it impossible to adhere strictly to all the current requirements. At ORNL, the Nuclear Engineering Applications Section of the Computing Applications Division is responsible for the development, maintenance, and application of the Monte Carlo codes MORSE and KENO. The KENO code is used for doing criticality analyses; the MORSE code, which has two official versions, CGA and SGC, is used for radiation transport analyses. Because KENO and MORSE were very thoroughly checked out over the many years of extensive use both in the United States and in the international community, the existing codes were open-quotes baselined.close ...
TART97 is a coupled neutron-photon, 3 dimensional, combinatorial geometry, time dependent Monte Carlo transport code. This code can run on any modern computer. It is a complete system to assist you with input preparation, running Monte Carlo calculations, and analysis of output results. TART97 is also incredibly fast: if you have used similar codes, you will be amazed at how fast this code is compared to other similar codes. Use of the entire system can save you a great deal of time and energy. TART 97 is distributed on CD. This CD contains on-line documentation for all codes included in the system, the codes configured to run on a variety of computers, and many example problems that you can use to familiarize yourself with the system. TART97 completely supersedes all older versions of TART, and it is strongly recommended that users only use the most recent version of TART97 and ist data files.
This paper reports on three-dimensional continuous-energy coupled neutron-gamma Monte Carlo models of the Advanced Neutron Source (ANS) final preconceptual and conceptual reference core designs developed using the Monte Carlo Neutron and Photon transport code (MCNP) Version 3b. These models contain the reactor core with control rods, the heavy water reflector tank with shutdown rods and some beam tubes, and the outer light water pool. Eighty homogenized fuel zones per fuel element are used to represent the radial and axial {sup 235}U fuel distribution. These models are the most sophisticated, physically accurate reactor physics models of the ANS currently available. The use of MCNP methods and applications to the ANS are demonstrated. Beam tube studies, coolant voiding studies, and many criticality studies have already been performed, as have studies with variance reduction techniques. In comparison with deterministic methods, MCNP proves ...
The use of computer codes based on Monte Carlo methods to perform criticality calculations has become common-place. Although results frequently published in the literature report calculated k_e_f_f values to four decimal places, people who use the codes in their everyday work say that they only believe the first two decimal places of any result. The lack of confidence in the computed k_e_f_f values may be due to the tendency of the reported standard deviation to underestimate errors associated with the Monte Carlo process. The standard deviation as reported by the codes is the standard deviation of the mean of the k_e_f_f values for individual generations in the computer simulation, not the standard deviation of the computed k_e_f_f value compared with the physical system. A more subtle problem with the standard deviation of the mean as reported by the codes is that all the k_e_f_f values from the separate generations are not statistically ...
The technical feasibility of the solar carbothermal reduction of ZnO has been successfully demonstrated in a pilot plant. The economics of this process is addressed by means of a single sensitivity analysis and a Monte-Carlo risk analysis. A medium-term and a long-term scenario have been investigated, each for a 5 and a 30 MW{sub th} plant. For a discount rate of 15% the zinc production costs vary between 482 and 245 $/t for the medium-term scenario and between 312 and 146 $/t for the long-term scenario, respectively. These costs do not account for the zinc oxide input material. In addition, a risk analysis was conducted for the 30 MW{sub th} long-term scenario. For each input parameter, a probability distribution was estimated and the probability distribution of the zinc production cost was calculated by means of a Monte-Carlo method. The expected mean zinc production costs vary from 95 $/t for a discount rate of 0%-286 $/t for a discount rate ...
A novel direct calculation method of response matrices on heterogeneous lattices by using the Monte Carlo method is proposed. These direct response matrices (DRMs) can be used in core calculations in place of the conventional homogenized lattice constants. The DRMs are formalized by four sub response matrices (sub-RMs) in order to respond to a core eigenvalue, k; thus the DRMs can be re-evaluated on each outer iteration in the core calculations. The sub-RMs can be evaluated by analyzing each neutron's trajectory from ordinary lattice calculations with the Monte Carlo code. Since these sub-RMs are calculated directly under an actual complex assembly geometry, i,e., without a homogenization process, intra-assembly heterogeneous effects can be reflected on global partial current balance calculations. With using two of the sub-RMs, which deal with neutron production probabilities for each fuel pin, and the obtained partial current balance, ...
A new method for kinetic experiments with neutrons is described. This method combines the conventional triple-axis neutron spectroscopy with relaxation-type experiments. Whereas the former method yields information about the microscopic dynamics of solids, the latter provides macroscopic relaxation times. The combination of both methods allows to determine the microscopic mechanism of relaxation processes. The time-resolved triple-axis spectroscopy is limited to reversible processes and to time scales from 10"-"3 to 10"4 s. Typical applications are the kinetics of phase transformations (structural and dynamical changes), kinetics of domain distributions, kinetics of (spinodal) decomposition, reversible solid state reactions, time-dependent occupation of phonon states or phonon lifetimes. (orig.).
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 more stable than carbonium ions. 39 refs., ...
In this paper, we discuss the large--time behavior of solution of a simple kinetic model of Boltzmann--Maxwell type, such that the temperature is time decreasing and/or time increasing. We show that, under the combined effects of the nonlinearity and of the time--monotonicity of the temperature, the kinetic model has non trivial quasi-stationary states with power law tails. In order to do this we consider a suitable asymptotic limit of the model yielding a Fokker-Planck equation for the distribution. The same idea is applied to investigate the large-time behavior of an elementary kinetic model of economy involving both exchanges between agents and increasing and/or decreasing of the mean wealth. In this last case, the large-time behavior of the solution shows a Pareto power law tail. Numerical results confirm the previous analysis.
Data on the reactions of thiocyanogen and thiocyanogen halides with unsaturated compounds are systematised. The kinetic and stereo- and regiochemical regularities of these reactions are analysed. The bibliography includes 81 references.
To express growth-related changes in physiologic or other functions in forms usable for kinetic modeling, we are interested in identifying regular relationships that take the form of simple mathematical...Full Text Available
The mutual influence between the PP/PS polymer blend components during UV photodegradation was studied. Polypropylene (PP) and polystyrene (PS) have different photodegradation mechanisms, due to the larger UV absorption of polystyrene and formation of more stable tertiary carbon radicals. To compare the stabilities the kinetics of carbonyl formation was measured in different blend compositions. The results show that polystyrene presented a faster carbonyl formation than polypropylene, while the blends display faster kinetics than the isolated components. The kinetics of carbonyl formation of the blends was a function of polypropylene content. This result is unexpected if one considers the behaviour of each component alone. The kinetics and mechanism of UV degradation can be only explained ...
Aug. 24, 1965. L. V. BALDWIN ETAL. 3202915. PARTICLE BEAM MEASUREMENT APPARATUS USING BEAM KINETIC. ENERGY TO CHANGE TIIE HEAT SENSITIVE RESISTANCE OF ...
This study examined kinetics and mass transfer in the biosorption of heavy metals onto Caulerpa lentillifera. The sorption capacity of Cu^2^+, Pb^2^+ and Cd^2^+ from aqueous solution increased with initial metal concentration and decreased with biosorbent dose. Kinetic data were well described using the pseudo-second-order model. Results showed that both external mass transfer and intraparticle diffusion were rate limiting steps in the biosorption process. Activation energy of biosorption kinetics fell in the range of 3-13kJ/mol. The biosorption of Cu^2^+, Cd^2^+ and Pb^2^+ on the biomass correlated well with the Langmuir isotherm (R^2>0.99) with maximum sorption capacities at 293K of 0.169, 0.085 and 0.177mol/kg for Cu^2^+, Cd^2^+ and Pb^2^+ ions, respectively. Thermodynamic studies demon...
... defense's weapons are Space-based kinetic-kill vehicles ... I ti I obtained by dividing the weapons as ... of the optimal weapon-arge assigntments and ...
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) Short-range Ordering in Cu-Au Solid Solutions.
A detailed chemical kinetic reaction mechanism is developed for primary reference fuel mixtures of n-hexadecane and 2,2,4,4,6,8,8-heptamethyl nonane for diesel cetane ratings. The mechanisms are constructed using existing rules for reaction pathways and rate expressions developed previously for the primary reference fuels for gasoline octane ratings, n-heptane and iso-octane. These reaction mechanisms are validated by comparisons between computed and experimental results for shock tube ignition and for oxidation under jet-stirred reactor conditions. The combined kinetic reaction mechanism contains the submechanisms for the primary reference fuels for diesel cetane ratings and submechanisms for the primary reference fuels for gasoline octane ratings, all in one integrated large kinetic reac...
Background:To determine nutrient requirements by the carbon oxidation techniques, it is necessary to know the fraction of carbon dioxide produced during the oxidative...Full Text Available
The concentration decay curves for the adsorption of phenol on organobentonite were obtained in an agitated tank batch adsorber. The experimental adsorption rate data were interpreted with diffusional models as well as first-order, second-order and Langmuir kinetic models. The surface diffusion model adjusted the data quite well, revealing that the overall rate of adsorption was controlled by surface diffusion. Furthermore, the surface diffusion coefficient increased raising the mass of phenol adsorbed at equilibrium and was independent of the particle diameter in the range 0.042-0.0126cm. It was demonstrated that the overall rate of adsorption was essentially not affected by the external mass transfer. The second-order and the Langmuir kinetic models fitted the experimental data quite well; however, the kinetic constants of both models varied without any physical meaning while increasing the particle size and the mass of ...
We review a new theoretical approach to the kinetics of surfactant adsorption at fluid-fluid interfaces. It yields a more complete description of the kinetics both in the aqueous solution and at the interface, deriving all equations from a free-energy functional. It also provides a general method to calculate dynamic surface tensions. For non-ionic surfactants the results coincide with previous models. Common non-ionic surfactants are shown to undergo diffusion-limited adsorption, in agreement with experiments. Strong electrostatic interactions in salt-free ionic surfactant solutions are found to lead to kinetically limited adsorption. In this case the theory accounts for unusual experimental results which could not be understood using previous approaches. Added salt screens the electrostatic interactions and makes the ionic surfactant adsorption similar to the non-ionic case. The departure from the non-ionic behavior as ...
We demonstrate the use of a variational method to determine a quantitative lower bound on the rate of convergence of Markov Chain Monte Carlo (MCMC) algorithms as a function of the target density and proposal density. The bound relies on approximating the second largest eigenvalue in the spectrum of the MCMC operator using a variational principle and the approach is applicable to problems with continuous state spaces. We apply the method to one dimensional examples with Gaussian and quartic target densities, and we contrast the performance of the basic Metropolis-Hastings algorithms with a ``smart'' variant that incorporates gradient information into the trial moves. We find that the variational method agrees quite closely with numerical simulations. We also see that the smart MCMC algorithm often fails to converge geometrically in the tails of the target density except in the simplest case we examine, and even then care must be taken to choose the appropriate ...
This book examines the applications of Monte Carlo (MC) calculations in therapeutic nuclear medicine, from basic principles to computer implementations of software packages and their applications in radiation dosimetry and treatment planning. It is written for nuclear medicine physicists and physicians as well as radiation oncologists, and can serve as a supplementary text for medical imaging, radiation dosimetry and nuclear engineering graduate courses in science, medical and engineering faculties. With chapters is written by recognised authorities in that particular field, the book covers the entire range of MC applications in therapeutic medical and health physics, from its use in imaging prior to therapy to dose distribution modelling targeted radiotherapy. The contributions discuss the fundamental concepts of radiation dosimetry, radiobiological aspects of targeted radionuclide therapy and the various components and steps required for implementing a dose ...
This study presents results from Monte Carlo radiation transport calculations aimed at characterizing a novel methodology being developed to detect partial defects in Pressurized Water Reactor (PWR) spent fuel assemblies (SFAs). The methodology uses a combination of measured neutron and gamma fields inside a spent fuel assembly in an in-situ condition where no movement of the fuel assembly is required. Previous studies performed on single isolated assemblies resulted in a unique base signature that would change when some of the fuel in the assembly is replaced with dummy fuel. These studies indicate that this signature is still valid in the in-situ condition enhancing the prospect of building a practical tool, Partial Defect Detector (PDET), which can be used in the field for partial defect detection.
To represent a heterogeneous unsaturated fractured rock by its homogeneous equivalent, Monte Carlo simulations are used to obtain upscaled (effective) flow properties. In this study, we present a numerical procedure for upscaling the van Genuchten parameters of unsaturated fractured rocks by conducting Monte Carlo simulations of the unsaturated flow in a domain under gravity-dominated regime. The simulation domain can be chosen as the scale of block size in the field-scale modeling. The effective conductivity is computed from the steady-state flux at the lower boundary and plotted as a function of the averaging pressure head or saturation over the domain. The scatter plot is then fitted using van Genuchten model and three parameters, i.e., the saturated conductivity K{sub s}, the air-entry parameter {alpha}, the pore-size distribution parameter n, corresponding to this model are considered as the effective K{sub s}, effective {alpha}, and ...
An algorithm for creating synthetic telescope images of Smoothed Particle Hydrodynamics (SPH) density fields is presented, which utilises the adaptive nature of the SPH formalism in full. The imaging process uses Monte Carlo Radiative Transfer (MCRT) methods to model the scattering and absorption of photon packets in the density field, which then exit the system and are captured on a pixelated image plane, creating a 2D image (or a 3D datacube, if the photons are also binned by their wavelength). The algorithm is implemented on the density field directly: no gridding of the field is required, allowing the density field to be described to an identical level of accuracy as the simulations that generated it. Some applications of the method to star and planet formation simulations are presented to illustrate the advantages of this new technique, and suggestions as to how this framework could support a Radiative Equilibrium algorithm are also given as an indication for ...
A three-dimensional, continuous-energy, coupled neutron-gamma Monte Carlo model of the advanced neutron source (ANS) final preconceptual reference core design has been developed using MCNP Version 3b. This model contains the reactor core with control rods, the heavy-water reflector tank with shutdown rods and representative beam tubes, and the outer light-water poor. Eighty homogenized fuel zones per fuel element are used to represent the radical and axial {sup 235}U fuel grading. This model is the most sophisticated, physically accurate reactor physics model of the ANS currently available. The purpose of this summary is to demonstrate the MCNP methods and applications for the ANS.
The MCNPE-BO and MCNP4 Monte Carlo electron-photon codes were used to calculate the dose equivalent per unit fluence at various depths in tissue-equivalent slab phantoms for broad parallel beams of monoenergetic electrons with energies from 50 keV to 10 MeV. The study was carried out in the framework of the activities of a ICRP/ICRU Joint Task Group with the support of EURADOS WG4 (Numerical Dosimetry). Some preliminary results and comparisons as well as a general discussion on the performances of the codes are presented, demonstrating quite a satisfactory agreement among the results obtained using the two codes and those of other authors. (author).
The liquid/vapor coexistence density, the partial vapor pressure, and the heat of vaporization were calculated using Gibbs ensemble Monte Carlo simulation techniques. Long-range interactions such as charge-charge, charge-dipole, and dipole-dipole were evaluated using Ewald summation techniques. A polarizable potential model was used to describe the water-water interactions (Dang and Chang, J. Chem. Phys. 106, 8149, 1997). The model yields good agreement with the corresponding experimental data in the lower temperature region and moderate agreement in the higher temperature region. The critical temperature and density were estimated to be 565 K and 0.28 g/cm3.
The aim of this work was to compare dose calculation algorithm results at orthovoltage energies for a phantom composed of a bone slab in water. The calculation methods investigated were: no correction, ETAR, Batho, convolution/superposition and Monte Carlo. All algorithms calculated depth dose curves in a water phantom within 4% of experiment. However in the bone phantom, differences of over 40% between the No Correction / ETAR / Batho / Convolution and Monte Carlo results in the 1 cm thick bone slab were observed. These differences are predominantly because the algorithms do not account for the differing atomic number of the bone compared to water The increased dose to bone and the tissue adjacent to the bone interface should be considered when treating with orthovoltage photons. Copyright (1998) Australasian Physical and Engineering Sciences in Medicine
The Monte-Carlo method and experimental methods were used to determine the neutron fluxes in the irradiation channels of the Ghana Research Reactor -1. The MCNP5 code was used for this purpose to simulate the radial and axial distribution of the neutron fluxes within all the ten irradiation channels. The results obtained were compared with the experimental results. After the MCNP simulation and experimental procedure, it was observed that axially, the fluxes rise to a peak before falling and then finally leveling out. Axially and radially, it was also observed that the fluxes in the centre of the channels were lower than on the sides. Radially, the fluxes dip in the centre while it increases steadily towards the sides of the channels. The results have shown that there are flux variations within the irradiation channels both axially and radially. (au)
An integrated beam optics-nuclear processes framework is essential for accurate simulation of fragment separator beam dynamics. The code COSY INFINITY provides powerful differential algebraic methods for modeling and beam dynamics simulations in absence of beam-material interactions. However, these interactions are key for accurately simulating the dynamics of heavy ion fragmentation and fission. We have developed an extended version of the code that includes these interactions, and a set of new tools that allow efficient and accurate particle transport: by transfer map in vacuum and by Monte Carlo methods in materials. The new framework is presented, along with several examples from a preliminary layout of a fragment separator for a facility for rare isotope beams.
This was a university-based research project in support of distributed reforming production technologies for hydrogen. Our objective was to examine the steam reforming of bio-ethanol and other related bio-derived liquids over non-precious metal catalyst systems to enable small-scale distributed hydrogen production technologies from renewable sources. The study targeted development of a catalytic system that does not rely on precious metals and that can be active in the 350-550 C temperature range, with high selectivity and high stability. To this end, we adopted a multi-prong research strategy, that included catalyst formulation and synthesis, detailed catalyst characterization, reaction kinetics and reaction engineering, molecular modeling and economic analysis studies. Our approach was an iterative one, where the knowledge gained in one aspect of the study was utilized to modify and fine-tune catalyst development. The research addressed many ...
We study a kinetic model for a system of two species of particles interacting via a repulsive long range potential and with a reservoir at fixed temperature. The interaction between the particles is modeled by a Vlasov term and the thermal bath by a Fokker-Planck term. We show that in the diffusive and sharp interface limit the motion of the interfaces at low temperature is described by a Stefan problem or a Mullins-Sekerka motion, depending on the time scale.
To clarify the kinetic characteristics and ionic requirements of the tonoplast H+-translocating inorganic pyrophosphatase (H+-PPiase), PPi hydrolysis and PPi-dependent H+...Full Text Available
The kinetics of the hydrolysis of polyacrylonitrile in aqueous and aqueousalcoholic solution have been studied. The effects of the solvent on the kinetics of the hydrolysis have been demonstrated, together with the role of diffusion and adsorption of the hydrolyzing agent on the surface of the macromolecules. It has also been shown to be possible to control the extent of hydrolysis and the hydrophilicity of the product.
NH4+ inhibition kinetics for CH4 oxidation were examined at near-atmospheric CH4 concentrations in three upland forest soils. Whether NH4+-independent...Full Text Available
Studies have been performed with an anti-osteogenic sarcoma monoclonal antibody 791T/36 and human tumour xenografts to examine some of the quantitative and kinetic aspects of tumour localization. The influence of variations in tumour size and site and antibody dose on the extent and rate of specific antibody localization have been examined, together with the site of intratumoural deposition of the antibody. (UK).
The kinetics of the urea-induced dissociation of human plasma alpha 2-macroglobulin into two half-molecular fragments was investigated at 21.0 degrees C by using small-angle neutron scattering. The...Full Text Available
The kinetics of the reaction of carbon dioxide in MDEA solutions were studied both experimentally and theoretically. It is concluded that MDEA acts as a homogeneous catalyst for CO/sub 2/ hydrolysis, and as a result the rate of absorption in aqueous MDEA solutions is significantly larger than one would calculate by simply taking into account the alkalinity of the reaction. A possible zwitterion mechanism is proposed for this reaction. The minor effect of ionic strength were also studied with the presence of other ions. 19 references, 6 figures.
The multidrug efflux transporter AcrAB-TolC is known to pump out a diverse range of antibiotics, including β-lactams. However, the kinetic constants of the efflux process, needed for the quantitative...Full Text Available
We construct a chaotic inflation model in which the Higgs fields play the role of the inflaton in the singlet extension of the supersymmetric standard model. The key idea is to impose a shift symmetry on the D-flat direction Hu Hd in the Kahler potential. The model is a realization of the recently proposed running kinetic inflation, in which the coefficient of the kinetic term grows as the inflaton field. The inflaton potential depends on the structure of the Higgs sector. For instance, the inflaton potential is proportional to phi^{2/3} during inflation in the NMSSM.
Spain was a scientifically backward country in the early 19th-century. Thecauses were various political events, the War of Independence, and the reign ofFernando VII. The introduction of contemporary physics into textbooks wastherefore a slow process. An analysis of the contents of 19th-century Spanishtextbooks is here presented, centred on imponderable fluids, the concept ofenergy, the mechanical theory of heat, and the kinetic theory of gases.
Primary dendrite spacings and side-branch coarsening kinetics were examined in specimens of the single-crystal multicomponent commercial superalloy PWA-1480, which were directionally solidified in a psoitive thermal gradient. The experimentally observed dependence of primary dendrite spacings and side-branch coarsening kinetics on growth rate and thermal gradient were in agreement with the behavior predicted by analytical models developed for binary alloys. (orig.).
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.)
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
ObjectivesThe objective of this paper is to describe the complex mixed-methods design of a study conducted to assess health-related quality of life (HRQOL) outcomes...Full Text Available
When we perceive a visual object, we implicitly or explicitly associate it with an object category we know. Recent research has shown that the visual system can use local, informative image fragments...Full Text Available
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 applied in testing ...
The electrogeometric model cannot consider the influence of some parameters on the screening of the wire conductor of the H.V. lines. For analysing the influence of these parameters (the conductor potential, the influence of the distance from phase conductor to earth wire, the influence of the reducing factor of the striking earth distance, the earth slope, etc.), the Monte Carlo method is preferable. The influence of the earth slope on the screening effect of the wire conductor for different conditions is presented in this paper. (author)
Results of the evaluation of the scattered radiation effect on the image of defects in examined products are given. The formula is suggested which characterizes the image of defects on a scintillation screen as well as accumulation factors are calculated by the Monte-Carlo method. Values of fluctuations of absorbed energy in the screen used for the evaluation of sensitivity are experimentally obtained. The effect of high-energy bremsstrahlung on the defect detection is analyzed.
Previous models and evaluation techniques based on the Monte Carlo simulation for the reliability assessment of mixed hydrothermal generation systems are extended. Models for reservoirs on multiple rivers and pumped storage plants are developed. Operating and water management policies are extended to include the relative economical effects of operating alternative sources of generation. These effects and the benefits are described and discussed using an extended IEEE reliability test system. (Author).
A microscopic calculation of the level density is performed, based on a combinatorial evaluation using a realistic single-particle level scheme. This calculation relies on a fast Monte Carlo algorithm, allowing to consider heavy nuclei (i.e., large shell model spaces) which could not be treated previously in combinatorial approaches. An exhaustive comparison of the predicted neutron s-wave resonance spacings with experimental data for a wide range of nuclei is presented.
A Monte Carlo simulation of the vacuum Bianchi type-IX (mixmaster) cosmology yields a significant correlation between large universe volume and high anisotropy. An analog of the model's chaotic classical behavior is seen in the break up of the universe wave function at large volume into fingers in the corners of the minisuperspace anisotropy potential.
We study by means of Quantum Monte Carlo simulations based on the Worm Algorithm the low temperature (down to T = 0.05 K) properties of parahydrogen clusters comprising up to 40 molecules. Three different intermolecular interactions are employed: the Silvera-Goldman, the Buck and the Lennard-Jones potential. Despite important discrepancies observed in the numerical estimates of energy and superfluid fraction, the mechanism by which clusters melt at low T is independent of the particular choice of the potential, whose only effect is to alter the temperature scale.
The Milstar communications satellite system will provide secure antijam communication capabilities for DOD operations into the next century. In order to accomplish this task, the Milstar system will employ precise timekeeping on its satellites and at its ground control stations. The constellation will consist of four satellites in geosynchronous orbit, each carrying a set of four rubidium (Rb) atomic clocks. Several times a day, during normal operation, the Mission Control Element (MCE) will collect timing information from the constellation, and after several days use this information to update the time and frequency of the satellite clocks. The MCE will maintain precise time with a cesium (Cs) atomic clock, synchronized to UTC(USNO) via a GPS receiver. We have developed a Monte Carlo simulation of Milstar's space segment timekeeping. The simulation includes the effects of: uplink/downlink time transfer noise; satellite crosslink time transfer noise; satellite ...
Monte Carlo simulation of beam modifiers such as physical wedges and compensating filters has been performed with a rectilinear voxel geometry module. A modified version of the EGS4/DOSXYZ code has been developed for this purpose. The new implementations have been validated against the BEAM Monte Carlo code using its standard component modules (CMs) in several geometrical conditions. No significant disagreements were found within the statistical errors of 0.5% for photons and 2% for electrons. The clinical applicability and flexibility of the new version of the code has been assessed through an extensive verification versus dosimetric data. Both Varian multi-leaf collimator (MLC) wedges and standard wedges have been simulated and compared against experiments for 6 MV photon beams and different field sizes. Good agreement was found between calculated and measured depth doses and lateral dose profiles along both wedged and unwedged directions for ...
The status of Monte Carlo system for the simulation of Bremsstrahlung in arbitrary decays and for the decay itself of #tau# -lepton is reviewed. During the last #tau# -lepton conference in 2010 several developments of the last two years have been presented: (i) For the TAUOLA Monte Carlo generator of #tau# -lepton decays, automated and simultaneous use of many versions of form-factors for the calculation of optional weights for fits was developed and checked to work in Belle and BaBar software environment. On-going work on alternative parameterizations of hadronic decays is presented too. (ii) The TAUOLA universal interface based on HepMC (the C++ event record) is now public. A similar interface for PHOTOS is now also public. (iii) Extension of PHOTOS Monte Carlo for QED Bremsstrahlung in decays featuring kernels based on complete first order matrix element are gradually becoming widely available thanks to properties of the ...
The purpose of this study was to investigate if interfraction and intrafraction motion in free-breathing and gated lung IMRT can lead to systematic dose differences between 3DCT and 4DCT. Dosimetric...Full Text Available
The purpose of this work was to study and quantify the differences in dose distributions computed with some of the newest dose calculation algorithms available in commercial planning systems. The study was done for clinical cases originally calculated with pencil beam convolution (PBC) where large density inhomogeneities were present. Three other dose algorithms were used: a pencil beam like algorithm, the anisotropic analytic algorithm (AAA), a convolution superposition algorithm, collapsed cone convolution (CCC), and a Monte Carlo program, voxel Monte Carlo (VMC++). The dose calculation algorithms were compared under static field irradiations at 6 MV and 15 MV using multileaf collimators and hard wedges where necessary. Five clinical cases were studied: three lung and two breast cases. We found that, in terms of accuracy, the CCC algorithm performed better overall than AAA compared to VMC++, but AAA remains an attractive option for routine ...
The purpose of this work was to study and quantify the differences in dose distributions computed with some of the newest dose calculation algorithms available in commercial planning systems. The study was done for clinical cases where large density inhomogeneities were present. Three dose algorithms were used: a pencil beam like algorithm, the anisotropic analytic algorithm (AAA), a convolution superposition algorithm, collapsed cone convolution (CCC) and a Monte Carlo program, voxel Monte Carlo (VMC++). The dose calculation algorithms were compared under static field irradiations at 6 MV and 15 MV using multileaf collimators and hard wedges where necessary. Five clinical cases were studied: three lung and two breast cases. We found that the CCC algorithm performed overall better than AAA compared to VMC++, but AAA remains an attractive option for routine use in the clinic due to its short computation times. Dose differences between the ...
The Monte Carlo transport codes LAHET and MCNP were used to calculate energy fluence spectra at three neutron therapy facilities. The results compare very favourably with measured data. Kerma spectra and the ratio of ICRU muscle tissue kerma to A-150 kerma, along the carbon to oxygen kerma ratio, were determined. Absorbed dose rate calculations are in reasonable agreement with measured values. Use of these codes to study modifications to existing therapy beams is briefly discussed. (author).
We present our plans for a Monte-Carlo code simulating all possible combinations of (electromagnetic) interactions between colliding electron, positron, and both high-energy and laser photon beams, based on the ABEL code for beam-beam interaction. The implementation and first results for the laser-e{sup -} interaction are described. ((orig.)).
We present our plans for a Monte-Carlo code simulating all possible combinations of (electromagnetic) interactions between colliding electron, positron, and both high-energy and laser photon beams, based, on the ABEL code for beam-beam interaction. The implementation and first results for the laser-e"- interaction are described.
A microemulsion comprised of water, Brij 78, pentanol and styrene into which PPO and bis-MSB had been dissolved was prepared. Polymerization of the styrene resulted in a suspension of fluor-containing polystyrene nanoparticles (<100 nm). After a concentration step, the aqueous nanosuspension was able to detect {sup 14}C with counting efficiencies over 50% of those of a commercially available scintillation cocktail. Monte Carlo calculations demonstrated that the size and concentration of the nanoparticles were appropriate for optimum detection efficiency.
The theory of neutron moderation and spectroscopy are briefly reviewed, and moderators that are useful for Bonner sphere spectrometers are discussed. The choice of the neutron detector for a Bonner sphere spectrometer is examined. Spectral deconvolution methods are briefly reviewed, including derivative, parametric, quadrature, and Monte Carlo methods. Calibration is then discussed. (LEW)
Depth dose distributions for protons in the energy range from 2 to 600 MeV have been calculated by Monte Carlo and analytical methods. The dependence on energy of Maximum Dose Equivalent (MDE), quality factor and isotropic factor recommended for practical use are presented. The problems connected with regulation of maximum permissible proton fluxes are discussed. (author).
A model has been developed to predict the chemical composition of lakes that form in pyrite-bearing open-pit mines. Pyrite oxidation in wall rock releases sulfuric acid and metals, which mix with ground waters in the lake. Aqueous metal concentrations are calculated using MINTEQA2.
BackgroundDiscrepancies between the conclusions of different meta-analyses (quantitative syntheses of systematic reviews) are often ascribed to methodological differences. The objective...Full Text Available
Context: Some studies suggest altered pituitary functioning and TSH production with aging.Objective: Our objective was to test the hypothesis that less TSH production...Full Text Available
In pre-experiments a tubular reactor was checked whether it is suitable for kinetic measurement on the system of the silver-catalysed partial oxidation of methanol to formaldehyde. Detrimental effects of heat-transfer and mass-transfer on the experimental results were ruled out. Investigations on the characteristics of the reaction showed that it is possible to manipulate the composition of the product mixture by changing the inlet concentration of the reactants. A modified power-law model was established to describe the reaction kinetics. It considers the preadsorption step of oxygen on the catalysts surface and fits the experimental data quite well. During the rapid oxidation the catalysts surface undergoes a drastic change. It gets coarse and has an adsorption capacity of 11 m{sup 2}/g after being exposed to the reaction mixture. (orig.)
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.
The potential of waste seashells powder, as a new adsorbent for Brilliant Red HE-3B reactive dye removal from aqueous solutions, was examined by the batch technique. The Freundlich, Langmuir, and Dubinin-Radushkevich adsorption models were applied to describe the equilibrium sorption data and to determine the corresponding isotherm constants. The values of the thermodynamic parameters, ?G, ?H, and ?S, indicate that the sorption of reactive dye is a spontaneous and endothermic process. The kinetic data evaluated by pseudo-first order, pseudo-second order, and intraparticle diffusion kinetic models suggested that the sorption of reactive dye onto seashell is a complex process and both surface sorption and intraparticle diffusion contributes to the rate limiting step.
Among the several chemical processes conducted for the removal of organic matter present in wastewaters coming from some agro-industrial plants (wine distilleries, olive oil mills, etc), the oxidation by ozone has shown a great effectiveness in the destruction of specially refractory pollutants: it is demonstrated that the biodegradability of those wastewaters increases aflcer an ozonation pretreatment. Their great pollutant character is imputed to the presence of some organic compounds, like phenols and polyphenols, which are toxic and inhibit the latter biological treatments. In this research, a competitive kinetic procedure reported by Clurol and Nekouinaini is applied to determine the degradation rate constants by ozone of several phenolic acids which are present in the wastewaters from the olive oil obtaining process. The resulting kinetic expressions for the ozonation reactions are useful for the successful design and operation of ozone ...
The design of a reaction cell which permits the investigation of the sorption kinetics of microcomponents without separation of the phases under automated condition has been described. The use of thin-layer inorganic sorbents obtained by depositing films of a sorbing substance from aqueous solutions on flat substrates of small thickness makes it possible to determine the extent of sorption even at small values in the case of /beta/ emitters with a low energy and /alpha/ emitters. Detailed observation of the kinetics of isotopic exchange in the CdS-/sup 115m/Cd-HNO/sub 3/ system has made it possible to reveal at least four stages in the process during the time of observation.
The #beta#-CEZ alloy : Ti-5%Al-2%Sn-4%Zr-4%Mo-2%Cr-1%Fe is a near #beta# titanium alloy. Since its processing routes include heat treatment (consisting of solution treatment and ageing), it has been decided to study the influence of the #beta# phase stability on #alpha# phase precipitation and hardening kinetics. Small sized specimens, coming from industrial heats, have been heat treated above and below the #beta# transus, and then water quenched. Therefore, several degree of #beta# stability are obtained. When it is increased (i.e. the solution treatment temperature is lowered), #alpha# or #omega# phases precipitations are delayed, as well as the hardening phenomena. Moreover, the #omega# stability domain is reduced. The mechanisms of #alpha# or #omega# precipitation are discussed, and related to the hardening kinetics. (orig.).
A dense Pd-Ag membrane reactor (MR) with 100% hydrogen selectivity packed with either Rh/La2O3 or Rh/La2O3-SiO2 as catalysts was used to carry out the dry reforming of methane. The membrane reactor simulation was performed using a well-known reactor model. For this purpose, we employed the equations derived from complete kinetic studies of the dry reforming of methane reaction in connection with both catalysts. In addition, we developed the kinetic equation for the reverse water gas shift reaction (RWGS). The combination of detailed kinetic studies with the measured permeation flux for the Pd-Ag membrane allowed a complete comparison between experimental and simulated operation variables. The variables studied for both catalysts were methane conversion and hydrogen permeation as a function...
In this study, we investigated the kinetics of linoleic acid production via lipase-mediated hydrolysis of corn DDGS oil in a batch reactor with continuous mechanical agitation and developed a kinetic model that incorporated the product inhibition to study the complete hydrolysis. The model agreed very well with observed data; though situations with low enzyme dosage or low stirring rates were modeled successfully without product inhibition, actual product concentration in such situations was too low to exert any inhibitory effects. Increasing the enzyme concentration increased hydrolysis, and beyond certain enzyme concentrations, effects tended to fade away because of excessive enzyme desorption from the interface. An enzyme dosage within the range of 40-60KLU/L of oil dispersion could be ...
The temperature and concentration dependence of the kinetics of uranium(VI) ions adsorption onto activated charcoal from aqueous solutions has been studied. The adsorption proceeds via a rather fast stage followed by a slower one, with activation energies of 5.41 and 17.46 kJ . mol[sup -1] respectively. The diffusion of uranium ions into the pores of the activated charcoal controls the kinetics of adsorption which follows the Langmuir isotherm equation in the concentration range studied. The adsorption equilibrium constant k[sub c] has been derived at temperatures between 283 K and 323 K as well as [Delta] G, [Delta] H and [Delta] S. The results indicate that the adsorption of uranium ions on activated charcoal is an endothermic process. (orig.)
The kinetics of alkaline hydrolysis of methylparathion was studied at different temperatures (0-50 Centigrade) in the p H range of 8-12 by ultraviolet-visible absorption spectroscopy. Optimum p H and wavelength conditions were defined to carry out the simultaneous determination of methylparathion and one of its hydrolysis product, paranitrophenol, in buffered aqueous medium. Based on the experimental data and the mathematical equation of the kinetics, a rate constant (k) of first-order and an activation energy (Ea) of 9.2 Kcal/mol, were estimated. (Author) activation energy (Ea) of 9.2 Kcal/mol, were estimated. (Author)
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.
Reactive chemical transport models developed over the past decade have generally relied on the assumption that local thermodynamic equilibrium is achieved at all times between aqueous species in a given system. Consequently, homogeneous aqueous systems characterized by a number of kinetically slow reactions, particularly problems involving organic species, cannot be satisfactorily modeled. In this study, we present a prototype computer model, KINETRAN, which is designed to handle kinetically-controlled homogeneous reactions in the aqueous phase, along with the transport of the various species involved, through geologic media. 31 refs., 53 figs., 10 tabs.
This grant has focused on the study of several aspects of electron kinetics in low pressure plasmas. Entirely new effects arise from the fact that the electron kinetics is governed by non-local effects, in which the electron distribution function is not equilibrium with the local electric field but is governed by spatial transport effects. In this grant, we were able to demonstrate several previously un-studied effects which are a direct result of the nonlocal transport. These are: (1) The existence of a ''convective cell' in electron phase space. The phenomenon was observed and studied in CW plasma conditions. (2) The occurrence of non-collisional cooling of electrons through an effect known as ''diffusive cooling''.
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...
The combustin of chloroethane is modeled as a stirred reactor so that we can study critical emission characteristics of the reactor as a function of residence time. We examine important operating conditions such as pressure, temperature, and equivalence ratio and their influence on destructive efficiency of chloroethane and production of other chlorinated products. The model uses a detailed chemical kinetic mechanism that we have developed previously for C{sub 3} hydrocarbons. We have added to this mechanism the chemical kinetic mechanism for C{sub 2} chlorinated hydrocarbons developed by Senkan and coworkers. Some reactions have been added to Senkan's mechanism and some of the reaction-rate expressions have been updated to reflect recent developments in the literature. In the modeling calculations, sensitivity coefficients are determined to find which reaction-rate constants have the largest effect on destructive efficiency. 25 refs., ...
The kinetics of the reactions between mixed powders of BaCO_3 and CuO, as well as BaCO_3 and Y_2O_3, have been studied using DXRD techniques as a function of particle size, temperature, and CO_2 pressure. Except for initial nucleation phenomena, the reaction rates are governed by shrinking core behavior for BaCO_3 particle sizes between 6 and 33 #mu#m. During the initial stages of the reactions, the surface reaction kinetics are governing, whereas the diffusion of CuO, Y_2O_3, and CO_2 are limiting factors at later stages in the reactions. Quantitative conversion data were used to determine the values of the activation energies and the pertinent diffusivities in these systems.
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...
Objective was to develop a glass utilizing the silica waste material from geothermal energy production, and to supply local artists with this glass to make artistic objects. A glass composed of 93% indigenous Hawaiian materials was developed; 24 artists made 110 objects from this glass. A market was found for art objects made from this material.
We survey a new area of parameter-free similarity distance measures useful in data-mining, pattern recognition, learning and automatic semantics extraction. Given a family of distances on a set of objects, a distance is universal up to a certain precision for that family if it minorizes every distance in the family between every two objects in the set, up to the stated precision (we do not require the universal distance to be an element of the family). We consider similarity distances for two types of objects: literal objects that as such contain all of their meaning, like genomes or books, and names for objects. meaning, like genomes or books, and names for objects. The latter may have literal embodyments like the first type, but may also be abstract like ``red'' or ``christianity.'' For the first type we consider a family of computable distance measures ...
Problems of classification and regression estimation in which objects are represented by multidimensional arrays of features are considered. Many practical statements can be reduced to such problems, for example, the popular approach to the description of images as a set of patches and a set of descriptors in each patch or the description of an object in the form of a set of distances from it to certain support objects selected based on a set of features. For solving problems concerning the objects thus described, a generalization of the relevance vector model is proposed. In this generalization, specific regularization coefficients are defined for each dimension of the multidimensional array of the object description; the resultant regularization coefficient for a given element in the mul...
Aim: Several studies have investigated the expression of the cytokeratins (CKs), vimentin, the epithelial growth factor receptor (EGFR), the oestrogen receptor (ER), and the progesterone...Full Text Available
The properties and kinetics of x-ray stars in globular clusters are described. Locations, configurations, star evolution, massive close binary systems, various mechanisms, and the x-ray burster properties are included. (JFP)
Uracil appears in DNA as a result of cytosine deamination and by incorporation from the dUTP pool. As potentially mutagenic and deleterious for cell regulation, uracil must be removed from DNA....Full Text Available
This book examines some of the basic principles behind chemical reaction kinetics. Topics considered include the classical trajectory approach to reactive scattering; periodic orbits and theory of reactive scattering; and semiclassical reactive scattering.
The trematode Fasciola hepatica (Fa.he.) is a common parasite of human and livestock. The hemoglobin (Hb) of Fa.he., a potential immunogen, was chosen for characterization...Full Text Available
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 inhibition effect on ...
Sucrose uptake by discs of mature sugar beet root tissue incubated in [14C]-sucrose exhibited nonsaturating kinetics over the concentration range of 1 to 500 millimolar. Uptake was inhibited...Full Text Available
During embryonic development, cells are instructed which position to occupy, they interpret these cues as differentiation programmes, and expand these patterns by growth. Sonic hedgehog...Full Text Available
In vivo short-term effects of recombinant human TNF-alpha on lipolysis, FFA flux, fat oxidation, triglyceride-fatty acid cycling, and glucose kinetics were evaluated with stable isotopic tracers and...Full Text Available
Radiation Measurement in Crew Compartment. DTO 805: .... spacecraft and aircraft propulsion, and hazardous waste disposal. ...... combustion reactions in a turbulent chemical kinetic flow reactor using laser induced fluorescence and ...
To investigate the role of thyroxine-binding globulin (TBG) and albumin in the availability of thyroid hormones to peripheral tissues, comprehensive kinetic studies of thyroxine (T4) and triiodothyronine...Full Text Available
The gelation kinetics of an in situ gelable hydrogel formulated from oxidized dextran (Odex) and N-carboxyethyl chitosan (CEC) were investigated rheologically. Both Schiff base...Full Text Available
Edema factor (EF) and CyaA are calmodulin (CaM)-activated adenylyl cyclase exotoxins involved in the pathogenesis of anthrax and whooping cough, respectively. Using spectroscopic, enzyme kinetic and...Full Text Available
D-galactose, a monosaccharide rapidly phosphorylated within liver cells, is irreversibly removed from the portal circulation. We have studied the kinetic relations between the hepatic cell entry process...Full Text Available
In this study we use the multiple indicator dilution technique to outline the kinetic mechanisms underlying the uptake of rubidium, a cation which, in the steady state, is concentrated by hepatic parenchymal...Full Text Available
The uptake of nitrite into intact pea chloroplasts was observed and its relationship with internal nitrite reduction was assessed. Net nitrite uptake exhibited saturation kinetics and an alkaline pH...Full Text Available
CTX-M-25 is a novel extended-spectrum β-lactamase isolated from a single Canadian Escherichia coli isolate. Susceptibility testing demonstrated that this enzyme confers resistance...Full Text Available
Heterogeneous gasless reactive systems, including high-energy density metal-nonmetal compositions, have seen increasing study due to their various applications. However, owing to their high reaction temperature, short reaction time, and small scale of heterogeneity, investigation of their reaction mechanisms and kinetics is very difficult. In this study, microstructural changes and the kinetics of product layer growth in the W-Si system was investigated using a high-speed x-ray phase-contrast imaging technique. Using the Advanced Photon Source of Argonne National Laboratory, this method allowed direct imaging of irreversible reactions in the W-Si reactive system at frame rates up to 36 000 frames per second with 4 {mu}s exposure and spatial resolution of 10 {mu}m. Details of the Si melt and reactions between W and Si, that are unable to be viewed with visible-light imaging, were revealed. These include processes such as the initiation of ...
Heterogeneous gasless reactive systems, including high-energy density metal-nonmetal compositions, have seen increasing study due to their various applications. However, owing to their high reaction temperature, short reaction time, and small scale of heterogeneity, investigation of their reaction mechanisms and kinetics is very difficult. In this study, microstructural changes and the kinetics of product layer growth in the W-Si system was investigated using a high-speed x-ray phase-contrast imaging technique. Using the Advanced Photon Source of Argonne National Laboratory, this method allowed direct imaging of irreversible reactions in the W-Si reactive system at frame rates up to 36 000 frames per second with 4 #mu#s exposure and spatial resolution of 10 #mu#m. Details of the Si melt and reactions between W and Si, that are unable to be viewed with visible-light imaging, were revealed. These include processes such as the initiation of ...
The responses of the vacuolar membrane (tonoplast) proton-pumping inorganic pyrophosphatase (H+-PPase) from oat (Avena sativa L.) roots to changes in Mg2+ and...Full Text Available
A rapid filtration technique has been used to measure at room temperature the kinetics of ADP and ATP transport in rat heart mitochondria in the millisecond time range. Transport was stopped by cessation of the nucleotide supply, without the use of a transport inhibitor, thus avoiding any quenching delay. The kinetics of ({sup 14}C)ADP transport in energized mitochondria were apparently monophasic. The rate of transport of ({sup 14}C)ATP in energized mitochondria was 5-10 times lower than that of ({sup 14}C)ADP. Upon uncoupling, the rate of ({sup 14}C)ATP uptake was enhanced, and that of ({sup 14}C)ADP uptake was decreased. However, the two rates did not equalize, indicating that transport was not exclusively electrogenic. Transport of ({sup 14}C)ADP and ({sup 14}C)ATP by resting mitochondria followed biphasic kinetics. Depletion of nucleotides in resting mitochondria resulted in a greater decrease in the extent of the slow ...
By use of a new computer-assisted u.v.-spectrophotometric assay method, the kinetic parameters of the reaction catalysed by Bacillus licheniformis 749/C beta-lactamase were re-examined and the mode...Full Text Available
The first-order relativistic correction to the kinetic energy of an electron, the mass-velocity term, is not bounded from below. It can, therefore, not be used within a variational framework. To overcome this deficiency we developed a method to include the entire relativistic kinetic energy #sq root#(p"2c"2+m_0"2c"4)-m_0c"2 in a spline-augmented plane-wave band calculation. The first results for silver are quite promising, especially for d and p states: The analysis of the energies of the core states as well as of the valence band structure suggests that the energies of d bands are reproduced within 1 mRy. However, the combination of the relativistic kinetic energy with the Darwin term leads to energies which are too low for s-like valence states by 10 mRy. Therefore, the s and d valence band complex is spread out and the Fermi level is lowered by the same amount as the s states. We expect to overcome these deficiencies in ...
The nicotinic acetylcholine receptor (AChR) controls signal transmission between cells in the nervous system. Abused drugs such as cocaine inhibit this receptor. Transient kinetic investigations indicate...Full Text Available
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
Purpose: Understanding the kinetics of tumor growth∕shrinkage represents a critical step in quantitative assessment of therapeutics and realization of adaptive radiation therapy....Full Text Available
The electrode kinetics for oxygen reduction on conducting metal oxides, including lithiated NiO (formed in situ) and Sb-doped SnO/sub 2/, have been investigated. Kinetic measurements were carried out by using ac impedance and coulostatic relaxation methods. The ac behavior on the oxide electrodes was analyzed on the basis of a modified Randles-Ershler type equivalent circuit which takes into account the effect of non-faradaic components due to the semiconducting oxide films. The kinetic parameters (the charge transfer resistance and Warburg coefficient) and the interfacial parameters (the double layer capacity, film capacity and film resistance) were obtained by a least squares curve fitting method under P/sub O2//P/sub CO2/=0.9/0.1 atmosphere. The exchange current density was found to be 10 to 20 mA cm/sup -2/ at the oxide electrodes, assuming n=2. The coulostatic relaxation experiments supported the magnitude of the i/sub ...
The thiadiazinon derivative EMD 57033 has been found previously in cardiac muscle to increase isometric force generation without a proportional increase in fiber ATPase, thus causing a reduction in...Full Text Available
1 The influence of the nonsteroidal anti-inflammatory drug naproxen on glucose metabolism and on tolbutamide pharmacokinetics and pharmacodynamics has been studied in ten maturity-onset diabetics. 2...Full Text Available
BackgroundAllergic Contact Dermatitis (ACD) is regarded as a T-cell-mediated delayed-type hypersensitivity reaction. We studied the kinetics of the expression of CS-1 fibronectin,...Full Text Available
The continuous addition of toluene as a solute of treated ballast water from oil tankers into a well-defined estuary facilitated the study of the dynamics of dissolved hydrocarbon metabolism in seawater....Full Text Available
A physiologically based pharmacokinetic (PBPK) model was developed that provides a comprehensive description of the kinetics of trichloroethylene (TCE) and its metabolites, trichloroethanol (TCOH),...Full Text Available
An RNA secondary structure is locally optimal if there is no lower energy structure that can be obtained by the addition or removal of a single base pair, where energy is defined according...Full Text Available
The dependences of kinetic energies and peak profiles of multicharged ions of I "q"+ (q = 2-3) and C"2"+ on the laser intensity have been studied in detail by time-of-flight mass spectrometry, those multicharged ions are produced by irradiation of methyl iodide cluster beam with a nanosecond 532 nm Nd-YAG laser. Our experiments show that the kinetic energies released of multicharged ions increase linearly with the laser intensity in the range of 3 x 10"9-2 x 10"1"1 W/cm"2. The peaks of multicharged ions are split to forward ions and backward ions, and the ratio of the backward ions to forward ions decreases exponentially with laser intensity. The decreasing of backward ions is probably due to Coulomb scattering by the heavier I"+ ions when they turn around through the laser focus point. The linear dependence of kinetic energy of multicharged ions on laser intensity is interpreted by the ionization mechanism, in which the ...
Bi-U mixed oxides were synthesized by two methods and characterized by X-ray diffraction and X-ray photoelectron spectroscopy. The samples were tested for the catalytic oxidation of carbon monoxide by oxygen. A stepwise redox mechanism consistent with the kinetic results is proposed. (orig.).
Mice homozygous for the recessive gene achondroplasia (cn) aged 16 and 17 days and some homozygotes aged 22-34 days have disruptions in the growth of the proximal tibial growth plate which are due solely...Full Text Available
Enzyme kinetic studies from this laboratory (M. Dobersen and S. Greer, Biochemistry 17:920-928, 1978) suggested that deoxycytidine could antagonize the toxicity of 5-halogenated analogs of deoxycytidine...Full Text Available
Differential scanning calorimetric (DSC) studies of the glassy states of as-received and hydrated lysozyme, hemoglobin, and myoglobin powders, with water contents of < or = 0.25, < or...Full Text Available
A review of the research activities carried out by the authors on biosorption of heavy metals is reported in this work. In particular, biomass characterisation, biosorption equilibrium with single metal system, biomass immobilisation in polymeric matrix and related kinetics, biosorption in membrane reactor systems are the main aspects reported in the paper. (orig.)
The isotherms, kinetics and thermodynamics of Cd(II), Zn(II) and Pb(II) biosorption by Penicillium simplicissimum were investigated in a batch system. The effects of pH, initial metal ions concentration, biomass dose, contact time, temperature and co-ions on the biosorption were studied. Adsorption data were well described by both the Redlich-Peterson and Langmuir model. Chemical ion-exchange was found to be an important process based on free energy value from Dubini-Radushkevich isotherm for all metal ions. The results of the kinetic studies of all metal ions at different temperature showed that the rate of adsorption followed the pseudo second-order kinetics well. The thermodynamics constants {delta}G{sup o}, {delta}H{sup o} and {delta}S{sup o} of the adsorption process showed that biosorption of Cd(II), Zn(II) and Pb(II) ions on Penicillium simplicissimum were endothermic and spontaneous.
Kinetics and thermodynamics of the binding of a fluorescent lipid amphiphile, Rhodamine Green™-tetradecylamide (RG-C14:0), to bovine serum albumin were characterized in an equilibrium...Full Text Available
BackgroundKinematic and kinetic measurements used in laboratory settings can quantify upper extremity movement impairment following stroke, but their relationship...Full Text Available
The use of isokinetic equipment and the leg press exercise have been major components of rehabilitation for the past several years when redeveloping muscular strength. Recently, closed kinetic chain...Full Text Available
Single-channel currents from acetylcholine receptor channels of garter snake neuromuscular junctions were recorded using the patch-clamp technique. Low concentrations of acetylcholine or carbamylcholine...Full Text Available
A generalized Fisher equation (GFE) relates the time derivative of the average of the intrinsic rate of growth to its variance. The GFE is an exact mathematical result that has been widely used in population...Full Text Available
Transthyretin aggregation-associated proteotoxicity appears to cause several human amyloid diseases. Rate-limiting tetramer dissociation and monomer misfolding of transthyretin (TTR) occur before...Full Text Available
Corticostriatal synapse plasticity of medium spiny neurons is regulated by glutamate input from the cortex and dopamine input from the substantia nigra. While cortical stimulation alone results in long-term...Full Text Available
The research has involved the characterization of catalyst acidity, [sup 2]D NMR studies of Bronsted acid sites, and kinetic, calorimetric, and spectroscopic studies of methylamine synthesis and related reactions over acid catalysts. Approach of this work was to explore quantitative correlations between factors that control the generation, type, strength, and catalytic properties of acid sites on zeolite catalysts. Microcalorimetry, thermogravimetric analysis, IR spectroscopy, and NMR spectroscopy have provided information about the nature and strength of acid sites in zeolites. This was vital in understanding the catalytic cycles involved in methylamine synthesis and related reactions over zeolite catalysts.
A comprehensive Scanning Tunneling Microscopy (STM) study of submonolayer nucleation and growth of 2D islands in Ag/Ag(100) homoepitaxy for temperature between 295K and 370K is presented. The initial stages of multilayer kinetic roughening is also studied. Analysis of an appropriate model for metal (100) homoepitaxy, produces estimates of 350 meV for the terrace diffusion barrier, 400 meV for the adatom bond energy, and 25 meV for the additional Ehrlich-Schwoebel step-edge barrier.
The wide-angle neutron diffractometer recently installed at the HFIR has the capability of performing time-resolved or time-slicing measurements. One of the interesting problem areas the authors have explored using this time-slicing function of the diffractometer is the kinetics of structural changes occurring after a temperature jump across a value at which a first-order phase transition occurs. Two measurements of this sort have been carried out: the phase III to II transition in RbNO_3 and the transition between the alpha and beta phases in Sn.
The satellite-borne experiment PAMELA has been used to make a new measurement of the cosmic-ray antiproton flux and the antiproton-to-proton flux ratio which extends previously published measurements down to 60 MeV and up to 180 GeV in kinetic energy. During 850 days of data acquisition approximately 1500 antiprotons were observed. The measurements are consistent with purely secondary production of antiprotons in the galaxy. More precise secondary production models are required for a complete interpretation of the results.
Non-thermal plasma treatment is a promising technique for the destruction of volatile organic compounds in waste gas. A relatively unexplored technique is the atmospheric negative dc multi-pin-to-plate glow discharge. This paper reports experimental results of allyl alcohol degradation and ozone production in this type of plasma. A new model was developed to describe these processes quantitatively. The model contains a detailed chemical degradation scheme, and describes the physics of the plasma by assuming that the fraction of electrons that takes part in chemical reactions is an exponential function of the reduced field. The model captured the experimental kinetic data to less than 2 ppm standard deviation.
A new scheme to accurately retain kinetic electron effects in particle-in-cell (PIC) simulations for the case of electrostatic drift waves is presented. The splitting scheme, which is based on exact separation between adiabatic and on adiabatic electron responses, is shown to yield more accurate linear growth rates than the standard df scheme. The linear and nonlinear elliptic problems that arise in the splitting scheme are solved using a multi-grid solver. The multi-grid particle-in-cell approach offers an attractive path, both from the physics and numerical points of view, to simulate kinetic electron dynamics in global toroidal plasmas.
Direct electric heating by passing an electrical current directly through a bed of adsorbent may prove to be an efficient means of regenerating activated charcoal in continuous and batch adsorption processes. Obvious advantages of this type of regeneration are its almost complete lack of inertia, which makes it possible to reduce the number and dimensions of the adsorbers, and its highly efficient use of energy due to the small number of steps in the conversion of the energy, as well as the reduction of heat losses involved in warming the structure and making up for losses to the surroundings. The authors consider the kinetics of direct electric heating of a stationary bed of activated charcoal not containing adsorbed substances.
Subsurface and surface coalfires are a serious problem in many coal-producing countries. Combustion can occur within the coal seams (underground or surface), in piles of stored coal, or in spoil dumps at the surface. While consuming a non renewable energy source, coalfires promote several environmental problems. Among all GHGs that are emitted from coalfires, CO2 is the most significant because of its high quantity. In connection to this environmental problem, the core aim of the present research is to develop a hyperspectral remote sensing and radiative transfer based model that is able to estimate CO2 concentration (ppmv) from coalfires. Since 1960s remote sensing is being used as a tool to detect and monitoring coalfires. With time, remote sensing has proven a reliable tool to identify and monitor coalfires. In the present study multi-temporal, multi-sensor and multi-spectral thermal remote sensing data are being used to detect and monitor coalfires. Unlike the earlier studies, the ...
Subsurface and surface coalfires are a serious problem in many coal-producing countries. Combustion can occur within the coal seams (underground or surface), in piles of stored coal, or in spoil dumps at the surface. While consuming a non renewable energy source, coalfires promote several environmental problems. Among all GHGs that are emitted from coalfires, CO2 is the most significant because of its high quantity. In connection to this environmental problem, the core aim of the present research is to develop a hyperspectral remote sensing and radiative transfer based model that is able to estimate CO2 concentration (ppmv) from coalfires. Since 1960s remote sensing is being used as a tool to detect and monitoring coalfires. With time, remote sensing has proven a reliable tool to identify and monitor coalfires. In the present study multi-temporal, multi-sensor and multi-spectral thermal remote sensing data are being used to detect and monitor coalfires. Unlike the earlier studies, the ...
The VE (ventilation) test carried out at the Mont Terri underground laboratory in Switzerland intended to evaluate in situ the behaviour of a consolidated clay formation when subjected to alternate periods of flow of wet and dry air during several months. For that, a 10-m gallery was excavated in the Opalinus Clay formation and carefully instrumented. Before and after a second ventilation phase boreholes were drilled. Samples were taken from the drill cores and were analysed from mineralogical and geochemical points of view. Also, the retention curves of these samples were determined in the laboratory following drying paths performed under free volume conditions at 20 degree centigrade, what is the content of this report. Although there are not large differences in the WRC of samples taken from different boreholes, at different distances from the gallery wall or before or after ventilation, those samples taken near the gallery wall and after ventilation tend to ...
The Accelerator Transmutation Waste System is under development at the Los Alamos National Laboratory. The goal is to perform an independent verification of the feasibility of actinide and long-lived fission product burning in this system. The authors' work is divided into five tasks: (a) production of an actinide and long-lived fission product cross section library from JEF 2.2; (b) simulation using MCNP and KENO IV Monte Carlo codes, of the Accelerator Transmutation Waste System configurations existing in literature; (c) validation of HETC Monte Carlo code (production of spallation source); (d) validation of the cross sections by comparison of Keff and reaction rate results, calculated with MNCP and KENO IV, with experimental benchmarks and intercomparison between the authors' calculations of a PWR unit cell and the computations carried out with various codes and cross section libraries (NEACRP critically group data); and (e) simulation of ...
There are two versions of the MORSE multigroup Monte Carlo radiation transport computer code system at Oak Ridge National Laboratory. MORSE-CGA is the most well-known and has undergone extensive use for many years. MORSE-SGC was originally developed in about 1980 in order to restructure the cross-section handling and thereby save storage. However, with the advent of new computer systems having much larger storage capacity, that aspect of SGC has become unnecessary. Both versions use data from multigroup cross-section libraries, although in somewhat different formats. MORSE-SGC is the version of MORSE that is part of the SCALE system, but it can also be run stand-alone. Both CGA and SGC use the Multiple Array System (MARS) geometry package. In the last six months the main focus of the work on these two versions has been on making them operational on workstations, in particular, the IBM RISC 6000 family. A new version of SCALE for workstations is being released to ...
One of the most active areas of physics in the last decades has been that of critical phenomena, and Monte Carlo simulations have played an important role as a guide for the validation and prediction of system properties close to the critical points. The kind of phase transitions occurring for the Betts lattice (lattice constructed removing 1/7 of the sites from the triangular lattice) have been studied before with the Potts model for the values q=3, ferromagnetic and antiferromagnetic regime. Here, we add up to this research line the ferromagnetic case for q=4 and 5. In the first case, the critical exponents are estimated for the second order transition, whereas for the latter case the histogram method is applied for the occurring first order transition. Additionally, Domany's Monte Carlo based clustering technique mainly used to group genes similar in their expression levels is reviewed. Finally, a control theory tool --an adaptive observer-- ...
We investigate the effects of single-particle structure and pairing on the equilibration of positive and negative-parity level densities for the even-even nuclei "5"8","6"2","6"6Fe and "5"8Ni and the odd-A nuclei "5"9Ni and "6"5Fe. Calculations are performed using the shell model Monte Carlo method in the complete fp-gds shell-model space using a pairing+quadrupole type residual interaction. We find for the even-even nuclei that the positive-parity states dominate at low excitation energies due to strong pairing correlations. At excitation energies at which pairs are broken, single-particle structure of these nuclei is seen to play the decisive role for the energy dependence of the ratio of negative-to-positive parity level densities. We also find that equilibration energies are noticeably lower for the odd-A nuclei "5"9Ni and "6"5Fe than for the neighboring even-even nuclei "5"8Ni and "6"6Fe.
We calculate parity-dependent level densities for the even-even isotopes "5"8","6"2","6"6Fe and "5"8Ni and the odd-A nuclei "5"9Ni and "6"5Fe using the shell model Monte Carlo method. We perform these calculations in the complete fp-gds shell-model space using a pairing+quadrupole residual interaction. We find that, due to pairing of identical nucleons, the low-energy spectrum is dominated by positive parity states. Although these pairs break at around the same excitation energy in all nuclei, the energy dependence of the ratio of negative-to-positive parity level densities depends strongly on the particular nucleus of interest. We find equilibration of both parities at noticeably lower excitation energies for the odd-A nuclei "5"9Ni and "6"5Fe than for the neighboring even-even nuclei "5"8Ni and "6"6Fe.
Let $\\mathscr{P}(E)$ be the space of probability measures on a measurable space $(E,\\mathcal{E})$. In this paper we introduce a class of nonlinear Markov chain Monte Carlo (MCMC) methods for simulating from a probability measure $\\pi\\in\\mathscr{P}(E)$. Nonlinear Markov kernels (see [Feynman--Kac Formulae: Genealogical and Interacting Particle Systems with Applications (2004) Springer]) $K:\\mathscr{P}(E)\\times E\\rightarrow\\mathscr{P}(E)$ can be constructed to, in some sense, improve over MCMC methods. However, such nonlinear kernels cannot be simulated exactly, so approximations of the nonlinear kernels are constructed using auxiliary or potentially self-interacting chains. Several nonlinear kernels are presented and it is demonstrated that, under some conditions, the associated approximations exhibit a strong law of large numbers; our proof technique is via the Poisson equation and Foster--Lyapunov conditions. We investigate the performance of our ...
High resolution Monte-Carlo simulations show that the neutron spectrum, fuel burnup and fuel temperature feedback effect of a PWR core loaded with Thoria-based fuel (Th/Pu-O_2) do not significantly differ from the MOX fuelled one due to the similar neutronic characteristics of both fertile materials (Th-232, U-238). The core physics of this fuel variant is characterized by an enhanced moderator/void temperature coefficient (by factor 2.4) and high incineration rate for Pu (approx. 60 %). A PWR core loaded with the Molybdenum-based inert matrix fuel (IMF) - in contrast to MOX-, shows a harder spectrum, resulting in small temperature coefficients of reactivity and particularly in a higher fuel depletion rate as well as an enhanced TRU reduction performance. The incineration of Pu amounts to 46 % resulting, in turn, in generation of minor actinides of about 10 % of the total Pu consumption. The higher excess reactivity resulting from the initial Pu contents is ...
Monte-Carlo simulations of 2-MeV #alpha#-particle channeling in Si_1_-_xSn_x alloys with 0#<=#x#<=#1 have been performed. The simulations are compared with measured channeling-angular scans for strained Si_0_._9_5Sn_0_._0_5 layers grown by molecular beam epitaxy (MBE). Agreement between simulated and measured angular scans can only be achieved if we assume a deviation of the crystal structure from the ideal one. This deviation can be attributed to a mosaic structure in the films and to an atomic-scale distortion of the crystal lattice due to an expected difference in the bond lengths between the Si-Si, Si-Sn and Sn-Sn atoms (such a difference in bond lengths has been observed in the epitaxial Si_1_-_xGe_x system). The contributions from both of these imperfections are estimated and discussed.
A technique capable of measuring the electron energy fluence spectra in a scattering medium was designed. These measurements were performed by setting a bremsstrahlung conversion target on the surface of a phantom, at an intermediate depth, and at a depth equal to electron mean range. The bremsstrahlung produced by the deceleration of electrons in the target was passed through an air channel in the phantom and passed forward by a pinhole collimator into a Na(Tl) detector. The measured pulse height data were unfolded to correct for the distortion of the spectrometer system by using the FORIST unfolding code. The unfolded bremsstrahlung spectra represent the electron energy fluence spectra convolution with the bremsstrahlung produced in the target. To generate the electron energy fluence spectra, the unfolded bremsstrahlung spectra were deconvoluted by using the MAZE2 unfolding code. CYLTRAN, a coupled electron-photon Monte Carlo transport code, was used to produce ...
Employing a recently developed Monte-Carlo model, we study the fission of 240Pu induced by neutrons with energies from thermal to just below the threshold for second chance fission. Current measurements of the mean number of prompt neutrons emitted in fission, together with less accurate measurements of the neutron energy spectra, place remarkably fine constraints on predictions of microscopic calculations. In particular, the total excitation energy of the nascent fragments must be specified to within 1MeV to avoid disagreement with measurements of the mean neutron multiplicity. The combination of the Monte-Carlo fission model with a statistical likelihood analysis also presents a powerful tool for the evaluation of fission neutron data. Of particular importance is the fission spectrum, which plays a key role in determining reactor criticality. We show that our approach can be used to develop an estimate of the fission spectrum with ...
Monte Carlo calculations using the codes PENELOPE and GEANT4 have been performed to characterize the dosimetric parameters of the new 20 mm long catheter based $^{32}$P beta source manufactured by Guidant Corporation. The dose distribution along the transverse axis and the two dimensional dose rate table have been calculated. Also, the dose rate at the reference point, the radial dose function and the anisotropy function were evaluated according to the adapted TG-60 formalism for cylindrical sources. PENELOPE and GEANT4 codes were first verified against previous results corresponding to the old 27 mm Guidant $^{32}$P beta source. The dose rate at the reference point for the unsheathed 27 mm source in water was calculated to be $0.215 \\pm 0.001$ cGy s$^{-1}$ mCi$^{-1}$, for PENELOPE, and $0.2312 \\pm 0.0008$ cGy s$^{-1}$ mCi$^{-1}$, for GEANT4. For the unsheathed 20 mm source these values were $0.2908 \\pm 0.0009$ cGy s$^{-1}$ mCi$^{-1}$ and $0.311 \\pm 0.001$ cGy ...
In the case wherein nonlinear seismic response analyses are carried out, the response values vary due to the variations in materials and modeling. In this paper, nonlinear analyses of several random variables are carried out using: i. a conventional method; ii. a two-point estimation method (i. and ii. are simplified methods); and iii. Monte Carlo simulation (detailed method) to examine the variability of the response in the excessive nonlinear range for seismic responses of shear walls. The analyses are performed to a PWR-3 loop type reactor building which is one of the most typical reactor buildings in Japan. The variations are considered in specified compressive strength of concrete, concrete damping factor, shear wave velocity of soil and shapes of shear stress-strain relation curves of shear walls. As the results by the two simplified methods closely matched the Monte Carlo simulation results, the appropriateness for applying the ...
Traditional farmers and harvesters of non-timber forest products in Peten treat the forest in ways that conserve and regenerate its resources. They believe no one owns the forest outright. Humans share it with other life forms and therefore no one has the right to monopolize or destroy forest resources. Traditional Peteneros find a use for almost everything in the forest, and believe it neither smart nor proper to use a given area for a single purpose, for example, to clear an area of all trees and devote it exclusively to a cattle pasture. In the traditional system most medicinal plants, basic foodstuffs, fuelwoods and construction materials are taken from the bosque (secondary forests within walking distance of human settlements). Peteneros` sustainable use of bosques eases pressure on the monte (primary forests). In the monte Peteneros` harvesting practices are protective of resources, causing minimal damage. Finding almost everything in the ...
In this paper we consider the adsorption of argon on the surface of graphitized thermal carbon black and in slit pores at temperatures ranging from subcritical to supercritical conditions by the method of grand canonical Monte Carlo simulation. Attention is paid to the variation of the adsorbed density when the temperature crosses the critical point. The behavior of the adsorbed density versus pressure (bulk density) shows interesting behavior at temperatures in the vicinity of and those above the critical point and also at extremely high pressures. Isotherms at temperatures greater than the critical temperature exhibit a clear maximum, and near the critical temperature this maximum is a very sharp spike. Under the supercritical conditions and very high pressure the excess of adsorbed density decreases towards zero value for a graphite surface, while for slit pores negative excess density is possible at extremely high pressures. For imperfect pores (defined as ...
Brachytherapy is a radiotherapeutic modality that makes use of radionuclides to deliver a high radiation dose to a well-defined volume while sparing surrounding healthy structures. At the National Institute for Cancer Research of Genova a High Dose Rate remote afterloading system provides Ir(192) endocavitary brachytherapy treatments. We studied the possibility to use the Geant4 Monte Carlo simulation toolkit in brachytherapy for calculation of complex physical parameters, not directly available by experiment al measurements, used in treatment planning dose deposition models.
A calorimetric-time-of-flight (CTOF) technique was used for real-time, high-precision measurement of neutron spectrum at the angle of 175 degrees from the initial proton beam direction, which hits a face plane of a cylindrical iron target of 20 cm in diameter and 25 cm thick. A comparison was performed between the neutron spectra predicted by the MARS and the MCNPX code systems and measured by experiments for 0.4-, 0.6-, 0.8-, 1.0-, and 1.2-GeV protons.
The present paper considers the evaluation of timber structures with the focus on robustness due to connection ductility. The robustness analysis is based on the structural reliability framework applied to a simplified mechanical system. The structural timber system is depicted as a parallel system. An evaluation method of the ductile behaviour is introduced. For different ductile behaviours, the system reliability is estimated based on Monte Carlo simulation. A correlation between the strength of the structural elements is introduced. The results indicate that the reliability of a structural timber system can be significantly increased due to the ductile behavior.
We investigate the formation of nanostructures in 2D strained alloys on face centered cubic (111) surfaces by means of equilibrium Monte Carlo simulations. In the framework of an off-lattice model, we consider one monolayer of two bulk-immiscible adsorbates A and B with negative and positive misfit relative to the substrate, respectively. Simulations show that the adsorbates partly self-organize into island or stripe-like patterns. We show how these structures depend on the relative misfits, interaction, and concentration of components. The morphology is quite different for phase separation and intermixing regimes.
Tests for the applicability of a CFD (Computational Fluid Dynamics) code for simulating activity transport in PNA (Pulsed Neutron Activation) fluid measurements have been performed. The CFD code was combined with a Monte Carlo code used for the calculation of the initial activity distribution. The results from the calculations show that it is possible to use CFD for calculation of the activity distribution in PNA. The mainly qualitative results in this work are encouraging and suggest further work. In the continuation of this work a response function for the gamma detector will be calculated so that a PNA time spectrum can be simulated. A more accurate comparison with experimental data can then be performed
An algorithm is proposed which treats the ECH generated potential in a self-consistent way, by extending the Monte-Carlo Fokker-Planck method used by Murakami [S. Murakami et al., Proc. 17th IAEA Fusion Energy Conference, Yokohama, 1998 (International Atomic Energy Agency, Vienna, in press), paper CN-69/TH2/1]. The additional physics is expected to influence the transport of both thermal and suprathermal electrons in a helical toroidal system. (author)
An important unresolved issue in outcomes analysis for lung complications is the effect of poor or completely lacking heterogeneity corrections in previously archived treatment plans. To estimate this effect, we developed a novel method based on Monte Carlo (MC) dose calculations which can be applied retrospectively to RTOG/AAPM-style archived treatment plans (ATP). We applied this method to 218 archived nonsmall cell lung cancer lung treatment plans that were originally calculated either without heterogeneity corrections or with primitive corrections. To retrospectively specify beam weights and wedges, beams were broken into Monte Carlo-generated beamlets, simulated using the VMC++ code, and mathematical optimization was used to match the archived water-based dose distributions. The derived beam weights (and any wedge effects) were then applied to Monte Carlo beamlets regenerated based on the patient computed tomography ...
By using a model independent Monte Carlo approach, we study the possible structure of charged and neutral lepton mass matrices, under the assumption of an U(2) horizontal symmetry (additional to the usual Standard Model ones) involving the light fermion generations. We assume the most general Majorana mass matrix for neutrinos. We update the results of our previous similar study, by inserting in the analysis the recent KamLAND data, that contributed to find a final solution to the Solar neutrino problem. The introduction of the new experimental data reduce the allowed regions in the nine dimensional space parameters, and show that our procedure gives stable solutions.
Organ and tissue doses and integral doses in patients due to diagnostic x-ray examinations of the chest and of the head will be presented. These data have been obtained by measuring the dose distributions in man phantoms by LiF-dosimetry. The data will be compared with data obtained by Monte-Carlo calculations. To obtain average organ doses for a special type of examination for the population or for a specified subpopulation in the variation of the exposure, data due to the different techniques used by the different radiologists has to be known. Such data will be presented. The results of the investigation will be discussed in connection with the concept of the 'somatic significant.
An accelerator experiment was performed using a low-energy antiproton beam to measure antiproton detection efficiency of BESS, a balloon-borne spectrometer with a superconducting solenoid. Measured efficiencies showed good agreement with calculated ones derived from the BESS Monte Carlo simulation based on GEANT/GHEISHA. With detailed verification of the BESS simulation, the relative systematic error of detection efficiency derived from the BESS simulation has been determined to be {+-}5%, compared with the previous estimation of {+-}15% which was the dominant uncertainty for measurements of cosmic-ray antiproton flux.
Recent developments in the physical model of 1 MeV to 100 TeV hadron and lepton interactions with nuclei and atoms are described. These include a new nuclear cross section library, a model for soft pion production, the cascade-exciton model, the dual parton model, deuteron-nucleus and neutrino-nucleus interaction models, detailed description of mu, pi and anti p absorption and a unified treatment of muon and charged hadron electromagnetic interactions with matter. New algorithms are implemented into the MARS13(98) Monte Carlo code and benchmarked against experimental data. The code capabilities to simulate cascades and generate a variety of results in complex media have been also enhanced.
multi-parton interactions and underlying event structure, $\\gamma$-mediated processes and luminosity determination, Monte Carlo tuning and even MSSM Higgs discovery in central exclusive production. In this article, the forward detector instrumentation around the CMS interaction point is described and the prospects for diffractive and forward physics using the CMS forward detectors are summarized. In addition, first observation of forward jets as well as early measurements of the forward energy flow in the pseudorapidity range $3.15
The adsorption and corrosion inhibition behavior of three selected thiosemicarbazone derivatives, namely 3-pyridinecarboxaldehyde thiosemicarbazone (META), isonicotinaldehyde thiosemicarbazone (PARA) and 2-pyridinecarboxaldehyde thiosemicarbazone (ORTHO) at the nickel surface were studied electrochemically by Tafel and impedance methods and computationally by carrying out Monte Carlo searches of configurational space on nickel/thiosemicarbazone derivative system. Electrochemical measurements showed that the inhibition efficiency of these compounds increased with increase in their concentration. The recorded inhibition efficiencies of the three tested thiosemicarbazone increase in the order: META>PARA>ORTHO. Polarization studies showed that these compounds act as mixed-type inhibitors for n...
A neutron collimator system is being designed as part of a neutron imaging facility for computed tomography and real-time neutron radiography research at the through beam port of the University of Texas TRIGA reactor. Lack of sufficient information about collimator systems in a through port from the literature necessitated the use of Monte Carlo calculations using the MCNP code 3 to search for optimal design configuration and materials that maximize the thermal neutron intensity at the image plane while minimizing the fast neutrons and gamma radiation.
The CyberKnife Robotic Radiosurgery System (Accuracy Incorporated, Sunnyvale, CA, USA) is used worldwide to treat tumors and neurological disorders anywhere in the body with sub-millimetre beam delivery accuracy. Accuracy has developed a number of new technologies in recent years to enhance the treatment of cancer patients. Such new technologies include a fast Monte Carlo Dose Calculation algorithm, Sequential Optimization dose planning, the IrisTM Variable Aperture Collimator, an 800 MU/min Linear Accelerator, and Optimized Path Traversal. These technologies enable physicists and physicians to plan treatments quickly and easily and deliver them with unrivalled accuracy and precision
Continuum events represent an eminent source of background in any e+e- experiment. As these have a higher branching ratio than BB-bar events (at BaBar this ratio is estimated to about 3.5) or ?+?- events, efficient continuum background suppression is essential in many analyses. Using Artificial Neural Networks and the Nearest Neighbor Method we developed several selectors which, based only on the global event shape variables, efficiently tag BB-bar events and ?+?- events against the continuum background. These selectors could then be combined with the channel specific information in various types of analyses. The study was done using a parametric Monte Carlo.
The diamond norm measures the distance between two quantum channels. From an operational viewpoint, this norm measures how well we can distinguish between two channels by applying them to the input states of arbitrarily large dimensions. In this paper, we show that the diamond norm can be conveniently, and in a physically transparent way, computed by means of a Monte Carlo algorithm based on the Fano representation of quantum states and quantum operations. The effectiveness of this algorithm is illustrated for several single-qubit quantum channels.
An extensive set of benchmark measurement of PDDs and beam profiles was performed in a heterogeneous layer phantom, including a lung equivalent heterogeneity, by means of several detectors and compared against the predicted dose values by different calculation algorithms in two treatment planning systems. PDDs were measured with TLDs, plane parallel and cylindrical ionization chambers and beam profiles with films. Additionally, Monte Carlo simulations by meansof the PENELOPE code were performed. Four different field sizes (10x10, 5x5, 2x2, and1x1 cm"2) and two lung equivalent materials (CIRS, #rho#_e"w=0.195 and St. Bartholomew Hospital, London, #rho#_e"w=0.244-0.322) were studied. The performance of four correction-based algorithms and one based on convolution-superposition was analyzed. The correction-based algorithms were the Batho, the Modified Batho, and the Equivalent TAR implemented in the Cadplan (Varian) treatment planning system and the TMS Pencil Beam ...
We provide a both qualitative and quantitative comparison among different approaches aimed to solve the problem of non-linear diffusive acceleration of particles at shocks. In particular, we show that state-of-the-art models (numerical, Monte Carlo and semi-analytical), even if based on different physical assumptions and implementations, for typical environmental parameters lead to very consistent results in terms of shock hydrodynamics, cosmic ray spectrum and also escaping flux spectrum and anisotropy. Strong points and limits of each approach are also discussed, as a function of the problem one wants to study.
This handbook breaks down the complex field of nuclear reactor calculations into major steps. Each step presents a detailed analysis of the problems to be solved, the parameters involved, and the elaborate computer programs developed to perform the calculations. This book bridges the gap between nuclear reactor theory and the implementation of that theory, including the problems to be encountered and the level of confidence that should be given to the methods described. Volume II: Monte Carlo Calculations for Nuclear Reactors. In-Core Management of Four Reactor Types. In-Core Management in CANDU-PHW Reactors. Reactor Dynamics. The Theory of Neutron Leakage in Reactor Lattices. Index.
We made Basic designs of neutron guide, choppers, and detectors in order to optimize the design parameters of DC-TOF to be built in the HANARO Cold Neutron Guide Hall. In addition, we calculated the expected performance of DC-TOF using Monte Carlo simulations and evaluated the properties of neutron beam. Based on the results we obtained, we have compared the expected performance of the DC-TOF with those of existing instruments overseas. In conclusion, we believe that we will be able to construct the DC-TOF at HANARO as one of the best instruments of its kinds and it will become an invaluable instrument to researchers in the related field.
An accelerator beam experiment was performed using a low-energy antiproton beam to measure antiproton detection efficiency of the BESS detector. Measured and calculated efficiencies derived from the BESS Monte Carlo simulation based on GRANT/GHEISHA showed good agreement. With detailed verification of the BESS simulation, the relative systematic error of detection efficiency derived from the BESS simulation has been determined to be {+-}5%, compared with the previous estimation of {+-}15% which was the dominant uncertainty for measurements of cosmic-ray antiproton flux. (author)
We have developed a new type personal dosemeter by using a B-10 doped silicon p-n junction detector with a polyethylene radiator and a polyethylene moderator. The purpose of this study was to develop a real time neutron dosemeter with a nearly flat response in the energy range from thermal to 15 MeV and low angular dependence to the incident neutron direction. The neutron response of the dosemeter was obtained with the Monte Carlo calculation and the monoenergetic neutron experiment in a free air field and also under a condition attached on a phantom.
This paper introduces a robust searching hybrid evolutionary algorithm to solve the multi-objective Distribution Feeder Reconfiguration (DFR). The main objective of the DFR is to minimize the real power loss, deviation of the nodes' voltage, the number of switching operations, and balance the loads on the feeders. Because of the fact that the objectives are different and no commensurable, it is difficult to solve the problem by conventional approaches that may optimize a single objective. This paper presents a new approach based on norm3 for the DFR problem. In the proposed method, the objective functions are considered as a vector and the aim is to maximize the distance (norm2) between the objective function vector and the worst objective function vector while the constraints are met. Since the proposed DFR is a multi ...
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 input electron beam, the energy distribution of the input electron beam and the radial ...
Brachytherapy refers to short distance treatment of cancer with radiation from small, encapsulated radionuclide sources. This type of treatment is given by placing sources directly into or near the volume to be treated. The dose is then delivered continuously, either over a short period of time (temporary implants) or over the lifetime of the source to a complete decay (permanent implants). This technique is extensively used in the treatments of gynecological, breast, prostate, head and neck, and other soft tissue cancers. The clinical outcomes of this treatment depend on accurate dosimetry and dose delivery. The patient is generally considered to be water equivalent. So the treatment planning system software generally is based on measured or calculated dose distributions in homogenous water medium. In real situation, the treatment volume is not homogenous water medium, but it is a heterogeneous medium consisting of bone, soft tissue, lung, air etc. For better understanding we present ...
A Siemens Mevatron KV2 accelerator installed at the Royal Adelaide Hospital employs cylindrical solid-walled electron cones for some electron collimation. The cones being used at present result in treatment fields that do not always conform with the International Electrotechnical Commission (IEC) Standards (particularly at high energies). The aim of this project was to simulate the existing cones using Monte Carlo methods in order to evaluate potential cone modifications required to overcome the field irregularities. Simulations were performed using the EGS4 (Electron Gamma Shower version 4, distribution II) Monte Carlo code installed on a DEC Alpha workstation at the University of South Australia. To rigorously simulate the existing electron cones it was necessary to also simulate various components within the treatment head of the linear accelerator. Results of simulations for existing cones were found to be consistent with experimental data. ...
This report is composed of the following two parts and appendix. (I) Improvement of the Method for Evaluating Reactivity Based on Monte Carlo Perturbation Theory: Theoretical formulation in Monte Carlo perturbation method had been checked, and then introduced into a calculation code. There are some cases that the results of the change of eigenvalues becomes positive or negative by changing the estimator, and there is no reasonable difference in the results between the conventional method, which does not consider the change of neutron source distribution caused by a perturbation, and the new method, which consider that change. Thus it is still necessary to check the Monte Carlo perturbation code. (II) Improvement of Nodal Transport Method for 3-D Hexagonal Geometry: We can accurately evaluate hexagonal geometry FBR core by nodal transport calculation code for hexagonal-Z geometry named `NSHEX`. However it is also found that ...
The hard-sphere radial distribution functions, g_H_S(r/d,#eta#), for the face-centered cubic and hexagonal close-packed phases have been computed by the Monte Carlo method at nine values of the packing fraction, #eta#[=(#pi#/6)#rho#d"3], ranging from 4% below the melting density to 99% of the close-packed density. The Monte Carlo data are used to improve available analytic expressions for g_H_S(r/d,#eta#). By utilizing the new g_H_S(r/d,#eta#) in the Henderson and Grundke method [J. Chem. Phys. 63, 601 (1975)], we next derive an expression for y_H_S(r/d,#eta#) [=g_H_S(r/d)exp#left brace##beta#V_H_S(r)#right brace#] inside the hard-sphere diameter, d. These expressions are employed in a solid-state perturbation theory [J. Chem. Phys. 84, 4547 (1986)] to compute solid-state and melting properties of the Lennard-Jones and inverse-power potentials. Results are in close agreement with Monte Carlo and lattice-dynamics ...
In the field of reactor and fuel cycle physics, particle transport plays and important role. Neutronic design, operation and evaluation calculations of nuclear system make use of large and powerful computer codes. However, current limitations in terms of computer resources make it necessary to introduce simplifications and approximations in order to keep calculation time and cost within reasonable limits. Two different types of methods are available in these codes. The first one is the deterministic method, which is applicable in most practical cases but requires approximations. The other method is the Monte Carlo method, which does not make these approximations but which generally requires exceedingly long running times. The main motivation of this work is to investigate the possibility of a combined use of the two methods in such a way as to retain their advantages while avoiding their drawbacks. Our work has mainly focused on the speed-up of 3-D continuous ...
In 2002 and again in 2003, an investigative journalist unit at ABC News transported a 6.8 kilogram metallic slug of depleted uranium (DU) via shipping container from Istanbul, Turkey to Brooklyn, NY and from Jakarta, Indonesia to Long Beach, CA. Targeted inspection of these shipping containers by Department of Homeland Security (DHS) personnel, included the use of gamma-ray imaging, portal monitors and hand-held radiation detectors, did not uncover the hidden DU. Monte Carlo analysis of the gamma-ray intensity and spectrum of a DU slug and one consisting of highly-enriched uranium (HEU) showed that DU was a proper surrogate for testing the ability of DHS to detect the illicit transport of HEU. Our analysis using MCNP-5 illustrated the ease of fully shielding an HEU sample to avoid detection. The assembly of an Improvised Nuclear Device (IND) -- a crude atomic bomb -- from sub-critical pieces of HEU metal was then examined via Monte Carlo ...
In this paper, we studied vapor-liquid equilibria (VLE) and adsorption of ethylene on graphitized thermal carbon black and in slit pores whose walls are composed of graphene layers. Simple models of a one-center Lennard-Jones (LJ) potential and a two-center united atom (UA)-LJ potential are investigated to study the impact of the choice of potential models in the description of VLE and adsorption behavior. Here, we used a Monte Carlo simulation method with grand canonical Monte Carlo (GCMC) and Gibbs ensemble Monte Carlo ensembles. The one-center potential model cannot describe adequately the VLE over the practical range of temperature from the triple point to the critical point. On the other hand, the two-center potential model (Wick et al. J. Phys. Chem. B 2000, 104, 8008-8016) performs well in the description of VLE (saturated vapor and liquid densities and vapor pressure) over the wide range of temperature. This UA-LJ ...
Using Monte Carlo simulation and the convolution/superposition algorithm, this work examines percent depth dose curves of the central axis in an acrylic phantom (20x20x20 cm"3) with variously sized air cavities (20x20x1.0, 20x20x2.0, 20x20x3.0, 20x20x4.0 and 20x20x4.95 cm"3 for study of longitudinal electron disequilibrium (ED) and 3.6x3.6x4.95, 4.5x4.5x4.95, 5.4x5.4x4.95 and 20x20x4.95 cm"3 for study of lateral ED). Radiochromic film samples are also measured to verify the Monte Carlo results. The Monte Carlo simulation is performed using OMEGA/BEAM and DOSXYZ codes, and the convolution/superposition calculation relies on an ADAC commercial treatment planning system. Underestimating the dose kernel expansion leads to overestimating the dose of what was found in the air cavity of ED using the convolution/superposition algorithm. Consequently, the dose in the rebuild-up region is influenced. The influenced region is on the ...
The accuracy of dose computation within the lungs depends strongly on the performance of the calculation algorithm in regions of electronic disequilibrium that arise near tissue inhomogeneities with large density variations. There is a lack of data evaluating the performance of highly developed analytical dose calculation algorithms compared to Monte Carlo computations in a clinical setting. We compared full Monte Carlo calculations (performed by our Monte Carlo dose engine MCDE) with two different commercial convolution/superposition (CS) implementations (Pinnacle-CS and Helax-TMS's collapsed cone model Helax-CC) and one pencil beam algorithm (Helax-TMS's pencil beam model Helax-PB) for 10 intensity modulated radiation therapy (IMRT) lung cancer patients. Treatment plans were created for two photon beam qualities (6 and 18 MV). For each dose calculation algorithm, patient, and beam quality, the following set of clinically ...
Objective:The identification of biological markers in order to assess different aspects of COPD is an area of growing interest. The objective of this study was to investigate whether...Full Text Available
ObjectiveThe objective of this study was to identify patterns of brain activation elicited by erotic visual stimuli in patients treated with either Selective Serotonin Reuptake Inhibitors...Full Text Available
OBJECTIVE: The objective was to define and characterize the costs associated with trauma care at a level I trauma center. Once the costs were identified, attending physician-led teams were designed...Full Text Available
To understand the function of edges in perception of moving objects, we defined four questions to answer. Is the focus point in visual motion detection of a moving object: (1) the body or the edge of...Full Text Available
ObjectivesModernising Medical Careers (MMC) emerged in response to acknowledged problems in training in the Senior House Officer grade. The objective of this study was to assess...Full Text Available
ObjectivesObjectives Not AvailableDescriptionA collaborative study of the anaerobic treatment of wastes containing recalcitrant and inhibitory compounds using the SERC Anaerobic facility, in particular biomass structure, monitoring and control, catabolism and toxicity, pre-acidification and microbial growth and mesophilic and thermophilic lignocellulose degradation.~%~
ObjectiveTo compare objective polysomnographic parameters between three cohorts: children with autism, with typical development, and with developmental delay without...Full Text Available
Background and objectives: The objective of this study was to describe the prevalence of ocular fundus pathology in the Chronic Renal Insufficiency Cohort (CRIC) study, a multicenter, longitudinal study...Full Text Available
ObjectiveThe primary objective of this study was to assess whether pentagastrin-induced panic symptoms are associated with release of free fatty acids (FFAs) in a manner that could...Full Text Available
The looming potential of deformable alignment tools to play an integral role in adaptive radiotherapy suggests a need for objective assessment of these complex algorithms. Previous studies in this area...Full Text Available
Experience with visual objects leads to later improvements in identification speed and accuracy (“repetition priming”), but generally leads to reductions in neural activity in single-cell...Full Text Available
We studied multi-joint coordination during tasks of transporting real and imaginary objects with two arms. One of the arms was unexpectedly arrested in one third of trials performed. In the...Full Text Available
This paper describes Image Engine, an object-oriented, microcomputer-based, multimedia database designed to facilitate the storage and retrieval of digitized biomedical still images, video, and text...Full Text Available
This paper describes a new method, HGV2C, for pattern analysis. The HGV2C method involves the construction of a computer ego (CE) based on an individual object that can be either a part of the system under analysis or a newly created object based on a certain hypothesis. The CE provides a capability to analyze data from a specific standpoint, e.g. from a viewpoint of a certain object. The CE is constructed from two identical copies of a query object, and its functioning mechanism involves: a hypothesis-parameter (HP) and infothyristor (IT). HP is a parameter that is introduced into an existing set of parameters. The HP value for one of the clones of a query object is set to equal 1, whereas for another clone it is greater than 1. The IT is based on the previously described algorithm of iterative averaging and performs three functions: 1) computation of a similarity matrix for the ...
ObjectivesIn old age, there are marked changes in both the structure of the liver sinusoidal endothelial cell and liver perfusion. The objective of this study was...Full Text Available
ObjectivesThe objectives of this study were to describe the levels of daily spiritual experiences in community-dwelling older adults, to compare levels of spiritual...Full Text Available
Objectives. The inescapable relationship between chronic inflammation and carcinogenesis has long been established. Our objective was to investigate COX-2 and NF-κB...Full Text Available
Objective:The main objective of this work was to study the antipyretic and antibacterial activity of C. erectus (Buch.-Ham.) Verdcourt leaf extract in an...Full Text Available
ObjectiveThe objective of this study was to determine the contribution of distance to hospitals with cardiac interventional services (CIS) to county age-adjusted myocardial infarction...Full Text Available
Understanding the detailed mechanics of these systems and their place in the general picture of binary star evolution are the dual objectives of this ...
Abstract in english We consider the three dimensional electromagnetic inverse scattering problem of determining information about a buried coated object from a knowledge of the electric and magnetic fields measured on the surface of the earth corresponding to time harmonic electric dipoles as incident fields. We assume that the buried object is a perfect conductor that is (possibly) partially coated by a thin dielectric layer. No a priori assumption is made on the extent of the coating, i.e. (more) the object can be fully coated, partially coated or not coated at all. We present an algorithm based on the linear sampling method and reciprocity gap functional for reconstructing the shape of the scattering obstacle together with an estimate of the surface impedance of the coating.
Sixty-seven unresolved objects with flat blue spectra that had no apparent features on the plates of the Case Low-Dispersion Northern Sky Survey have been observed at higher dispersion and to shorter wavelengths in order to determine their nature. The following classifications are proposed: 20 low-redshift QSOs (z greater than 1.7), two Seyfert 2 galaxies, 23 stars, and two variable objects. The spectra obtained for the remaining 20 objects were flat with no obvious features, but noisy, and these will need further observation. 5 references.
... Title : Military Working Dog Procurements. ... Our primary objective was to determine whether recent procurements of military working dogs by the ...
... projects that will result in the reduction of energy consumption in compliance with the objectives set forth in the Army Facilities Energy Plan, without ...
The objective of this animation is to develop a QTL mapping population for locating and characterizing the genes responsible for resistance to tan spot disease of wheat.
The first objective is to utilize reservoir characterization and advanced technologies to optimize the design of a carbon dioxide (CO{sub 2}) project for the South Cowden Unit (SCU) located in Ector County, Texas. The SCU is a mature, relatively small, shallow shelf carbonate unit nearing, waterflood depletion. The second objective is to demonstrate the performance and economic viability of the project in the field. This report includes work on the reservoir characterization and project design objective and the demonstration project objective.
Main purpose of mapping observations of the cloud is to make clear the mechanism of star formation and star evolution. Scientific objectives are summarized ...
This paper describes a new approach to development of software for highly integrated software-hardware systems such as used for data acquisition and control. This approach, called the Object Oriented Software Bus (OSB), is a way to develop software according to a common specification similar to the way interface hardware has been developed since the advent of bus structures for minicomputers and microcomputers. Key concept of the OSB is extension of the common use of objects to support user interface and data analysis functions to the development of software objects that directly correspond to real- world hardware interfaces and modules.
... order probabilistic modelling, multisensor monitoring of ... object recognition, image registration and point ... of the Berkeley Continuous Media Toolkit. ...
A summary is given of the 1983 NRPB-GS1 Report on the 'Radiological protection objectives for the disposal of solid radioactive wastes'. The two principal difficulties in applying the ICRP system of dose limitation to some solid waste disposal methods are outlined. Despite these difficulties three radiological protection objectives for waste disposal were recommended based on the same fundamental principle as ICRP recommendations.
In order to predict thermal hazards of high-energy materials, accurate kinetics constants must be determined. Predictions of thermal hazards for mixtures of high-energy materials require measurements on the mixtures, because interactions among components are common. A differential-scanning calorimeter (DSC) can be used to observe rate processes directly, and isothermal methods enable detection of mechanism changes. Rate-controlling processes will change as components of a mixture are depleted, and the correct depletion function must be identified for each specific stage of a complex process. A method for kinetics measurements on mixed explosives can be demonstrated with Composition B is an approximately 60/40 mixture of RDX and TNT, and is an important military explosive. Kinetics results indicate that the mator process is the decomposition of RDX in solution in TNT with a perturbation caused by interaction between the two ...
The aim of this work is to be able to describe transformations, occurring when solids and gases are in non isothermal and non isobaric conditions, with kinetic models. A methodology has been used. Two essential processes have to be taken into account: the germination and the growth. The germs are supposed to be formed (at constant temperature and pressure) in the grains surface with a constant velocity by surface unit, (gamma), called germination surface frequency (number of germs.m{sup -2}.s{sup -1}. The growth velocity is characterized by a growth surface reactivity, (phi) (in mol.m{sup -2}.s{sup -1}). With an appropriate transformation model, it is possible to obtain the variations of (gamma) and (phi) in terms of the temperature and pressure which are then used in the calculation of the velocity in non isothermal and non isobaric conditions. In order to validate the developed method, two reactions have been studied. For the first one, the kaolinite ...
Biosorption equilibrium, kinetics and thermodynamics of chromium(VI) ions onto cone biomass were studied in a batch system with respect to temperature and initial metal ion concentration. The biosorption efficiency of chromium ions to the cone biomass decreased as the initial concentration of metal ions was increased. But cone biomass of Pinus sylvestris Linn. exhibited the highest Cr(VI) uptake capacity at 45 {sup o}C. The biosorption efficiency increased from 67% to 84% with an increase in temperature from 25 to 45 deg. C at an initial Cr(VI) concentration of 300 mg/L. The Langmuir isotherm model was applied to experimental equilibrium data of Cr(VI) biosorption depending on temperature. According to Langmuir isotherm, the monolayer saturation capacity (Q{sub max}) is 238.10 mg/g. The pseudo-first-order and pseudo-second-order kinetic models were applied to test the experimental data for initial Cr(VI). The pseudo-second-order ...
Optimal design of the hyperfractionated radiotherapy requires basic radiobiological data such as the critical dose per fraction, number of fractions per day and total equivalent dose, to name a few. As a prelude to in vivo hyperfractionated irradiation, the authors carried out experiments to determine quantitative changes in the proliferation and cell kinetic parameters of multicellular spheroids after hyperfractionated irradiation. Experiments were carried out with HeLa S-3 spheroid growing in MEM culture media. Hyperfractionated irradiation schedules were 1.5 Gy/f, 2f/day and 1.0 Gy/f, 3 f/day. At intervals after irradiation, cell numbers, growth delays and cell cycle distribution of spheroids were determined. The kinetic data were obtained by the use of flow cytometry. The most pronounced changes in cell kinetic parameters were early G/sub 2/M block, proportional to single radiation dose up to 4.0 Gy. There was a ...
Bone formation and resorption have been measured in patients with idiopathic osteoporosis by histomorphometry of 7.5-mm trephine biopsies and in the whole body by 85Sr radiotracer methodology and calcium balances. The studies were synchronized and most were preceded by double in vivo tetracycline labeling. Correlations between histological and kinetic bone formation indices were better when better when based on the extent of double tetracycline labels than on measurements of osteoid by visible light microscopy. Correction of the kinetic data for long-term exchange, using 5 months' serial whole body counting of retained 85Sr, improved the fit of the kinetic to the histological data. A statistical analysis of the measurement uncertainties showed that the residual scatter in the best correlations (between exchange-corrected bone formation rates and double-labeled osteoid surface indices) could be attributed to ...
The present study consisted of two experiments to compare new word learning in healthy young (N = 11) and older (N = 17) adults within an explicit learning paradigm. Experiment 1 investigated the new name learning for familiar objects, while Experiment 2 investigated learning names and descriptions for unfamiliar objects. Participants attended five learning sessions over 5 consecutive days, during which they viewed objects with novel names with/without descriptions. The older adults were as accurate as the young adults when recalling and recognizing new names during the learning sessions. With respect to response times, the older adults were as rapid as the young adults at recognizing the new names for the familiar objects, but were slower during the follow-up sessions. The older adults we...
In recent years, with the development of microarray technique, discovery of useful knowledge from microarray data has become very important. Biclustering is a very useful data mining technique for discovering genes which have similar behavior. In microarray data, several objectives have to be optimized simultaneously and often these objectives are in conflict with each other. A Multi Objective model is capable of solving such problems. Our method proposes a Hybrid algorithm which is based on the Multi Objective Particle Swarm Optimization for discovering biclusters in gene expression data. In our method, we will consider a low level of overlapping amongst the biclusters and try to cover all elements of the gene expression matrix. Experimental results in the bench mark database show a significant improvement in both overlap among biclusters and coverage of elements in the gene expression matrix.
Our research in the general area of acid catalysis involves the characterization of solid acidity and the corresponding assessment of catalytic performance of acidic materials. Acid characterization studies are required to provide essential information about the type of acid site (i.e., Lewis versus Bronsted), the strength of the sites, and the mobility of molecules adsorbed on the acid sites. An accurate measure of acid strength is given by the heat of adsorption of a basic probe molecule on the acid site. A thermodynamic representation of the mobility of adsorbed species on these sites is given by the entropy of adsorption. Important techniques used in these acid site characterization studies include microcalorimetry, thermogravimetric measurements, temperature programmed desorption, infrared spectroscopy and solid state nuclear magnetic resonance. The combination of these acid site characterization studies with reaction kinetics measurements of selected ...
This paper reports that the point defect model for steady-state passive films formed anodically on metal s in aqueous environments has been extended to include irreversible dissolution of the film and the irreversible generation and annihilation of cation and oxygen vacancies at the metal/film and film/solution interfaces. THe model yields a number of diagnostic criteria that can be used to identify the majority (vacancy) charge carrier and to characterize the kinetic nature of the interfacial vacancy generation and annihilation processes. We use these criteria to show that the steady-state passive film that forms on nickel in acidic phosphate buffer solutions is a cation conductor and that cation transport from the metal to the solution involves irreversible ejection of cations from the film. On the other hand, the passive film that forms on tungsten in the same environment under steady-state conditions is found to be an oxygen ion conductor with the passive ...
The fluorescent behaviour and the photodynamic effect was studied in native and structurally modified lysozyme and ..cap alpha..-lactalbumin. The Tyr residues in lysozyme and ..cap alpha..-lactalbumin show different sensitivities to the photodynamic effect. The effect is zero in the case of Tyr from native lysozyme. In contrast, the Tyr residues in ..cap alpha..-lactalbumin are susceptible to photooxidation, which indicates a greater degree of exposure to the solvent. The three His residues of ..cap alpha..-lactalbumin have different degrees of exposure and show two different kinetics of photooxidation whereas the His residue of lysozyme is photooxidized with a single kinetic. Two photooxidation kinetics were obtained for the Trp residues of both native proteins, an indication that in both cases there are Trp residues that are differently exposed to the solvent. The wavelengths of maximum fluorescent emission of the Trp ...
In dissipative ordinary differential equation systems different time scales cause anisotropic phase volume contraction along solution trajectories. Model reduction methods exploit this for simplifying chemical kinetics via a time scale separation into fast and slow modes. The aim is to approximate the system dynamics with a dimension-reduced model after eliminating the fast modes by enslaving them to the slow ones via computation of a slow attracting manifold. We present a novel method for computing approximations of such manifolds using trajectory-based optimization. We discuss Riemannian geometry concepts as a basis for suitable optimization criteria characterizing trajectories near slow attracting manifolds and thus provide insight into fundamental geometric properties of multiple time scale chemical kinetics. The optimization criteria correspond to a suitable mathematical formulation of "minimal relaxation" of chemical forces along reaction ...
A number of agricultural and engineering uses for fixated flue gas desulfurization (FGD) material exist; however, the potential for leaching of hazardous elements has limited widespread application and the processes controlling the leaching of this material are poorly understood. In this study, a flow-through rotating-disk system was applied to elucidate the relative importance of bulk diffusion, pore diffusion, and surface chemical reaction in controlling the leaching of fixated FGD material under pH conditions ranging from 2.2 to 6.8. Changing the hydrodynamics in the rotating disk system did not affect the leaching kinetics at both pH 2.2 and 6.8, indicating that bulk diffusion was not the kinetic-limiting step. Application of the shrinking core model (SCM) to the data suggested a surface reaction-controlled mechanism, rather than a pore diffusion mechanism. The leaching of fixated FGD material increased with decreasing pH, suggesting it can ...
A detailed kinetic study of the epoxidation of 1-octene with hydrogen peroxide catalyzed by Pt(II) complexes is reported. The two systems analyzed were (diphoe)Pt(CF/sub 3/)(OH)/1-octene/H/sub 2/O/sub 2//THF and ((diphoe)Pt(CF/sub 3/)(CH/sub 2/Cl/sub 2/))BF/sub 4//1-octene/H/sub 2/O/sub 2//H/sub 2/O/CH/sub 2/Cl/sub 2/. Rate data were determined with GLC from epoxide formed vs time plots. Evidence for many of the organometallic intermediates and the individual steps involved was gained from IR studies, /sup 19/F NMR studies, and especially designed experiments including studies of the acidity effect. In both cases the kinetic analysis suggests a mechanism in which the actual oxidant is a PtOOH species that interacts with a Pt-olefin complex in the oxygen-transfer step (second-order dependence on platinum). 29 references, 12 figures, 3 tables.
This work reports an experimental study on the steam gasification of an anthracite coke in a fluidized bed reactor, with the aim of evaluating the reaction kinetics. Isothermal runs were carried out with samples of 91 to 275 g of coke, at temperatures between 799 and 928{sup 0}C and for steam partial pressures between 0.3 and 0.9 atm. The conversion decreases as the amount of coke is increased and it is very sensitive to the temperature. Neither the volumetric reaction model nor the unreacted shrinking core model can satisfactorily fit the experimental results. That is why empirical models have been used. The first one is derived from the unreacted shrinking core model. An activation energy of 219 kJ. mol{sup -1} and a reaction order with respect of steam of 0.57 have been identified. In the second model, the conversion has been correlated as a function of a dimensionless time. A comparison of the results obtained in the fluidized bed with other ones obtained in a ...
The biosorption of Cu(II) from aqueous solutions by valonia tannin resin was investigated as a function of particle size, initial pH, contact time and initial metal ion concentration. The aim of this study was to understand the mechanisms that govern copper removal and find a suitable equilibrium isotherm and kinetic model for the copper removal in a batch reactor. The experimental isotherm data were analysed using the Langmuir, Freundlich and Temkin equations. The equilibrium data fit well in the Langmuir isotherm. The experimental data were analysed using four sorption kinetic models - the pseudo-first- and second-order equations, the Elovich and the intraparticle diffusion model equation - to determine the best fit equation for the biosorption of copper ions onto valonia tannin resin. Results show that the pseudo-second-order equation provides the best correlation for the biosorption process, whereas the Elovich equation also fits the ...
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 pointed out that swarm ...
This paper describes the development of a computational multiphase fluid dynamics (CMFD) model of the Fischer Tropsch (FT) process in a Slurry Bubble Column Reactor (SBCR). The CMFD model is fundamentally based which allows it to be applied to different industrial processes and reactor geometries. The NPHASE CMFD solver [1] is used as the robust computational platform. Results from the CMFD model include gas distribution, species concentration profiles, and local temperatures within the SBCR. This type of model can provide valuable information for process design, operations and troubleshooting of FT plants. An ensemble-averaged, turbulent, multi-fluid solution algorithm for the multiphase, reacting flow with heat transfer was employed. Mechanistic models applicable to churn turbulent flow have been developed to provide a fundamentally based closure set for the equations. In this four-field model formulation, two of the fields are used to track the gas phase (i.e., small spherical and ...
A knowledge of surface film growth kinetics can be quite useful in the production of materials for uses ranging from protective coatings to microelectronic devices. A technique for determining the kinetics of film growth is presented which should prove to be a valuable alternative to the array of spectroscopies (AES, RBS, etc.) currently favored for these measurements. Some of the virtues of this X-ray diffraction approach are its non-destructive nature, thickness resolution better than 50 {angstrom} and conventional equipment requirements. Results obtained for the growth of Pd{sub 2}Si films during thermal annealing of Pd coatings on Si, indicate parabolic growth over a temperature range of 160-222 C. The rate constant was found to be k{prime} = 7 {times} 10{sup {minus}4} exp ({minus}1.06 eV/kT) cm{sup 2}/sec, where (film thickness){sup 2} = k{prime} x time. This activation energy is in agreement with results obtained by other techniques. A ...
Hydrolysis kinetics of the lead silicate glass (LSG) with 40 mol% PbO in 0.5 N HNO_3 aqueous acid solution was investigated. The surface morphology and the gel layer thickness were studied by scanning electron microscopy (SEM) micrographs. Energy dispersive X-ray spectroscopy (EDS) and inductively coupled plasma spectroscopy (ICP) were used to determine the composition of the gel layer and the aqueous solution, respectively. The silicon content of the dissolution products was determined by using weight-loss data and compositions of the gel layer and the solution. The kinetic parameters were determined using the shrinking-core-model (SCM) for rate controlling step. The activation energy obtained for hydrolysis reaction was Q_c_h_e = 56.07 kJ/mole. The diffusion coefficient of the Pb ions from the gel layer was determined by using its concentration in solution and in LSG. The shrinkage of the sample and the gel layer thickness during dissolution ...
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 liquid-crystalline phosphatidylcholine ...
Biosorption of lead(II) ions from aqueous solution onto the seed husk of Calophyllum inophyllum was investigated in a batch system. Equilibrium, thermodynamics and kinetic studies were conducted by considering the effects of pH, initial metal ion concentration, contact time, and temperature. The results showed that the uptake of the metal ions increased with increase in initial metal ion concentration. The pH for optimum adsorption was 4 for the Pb(II) ions (q=4.86mg/g and 97.2% adsorption). Langmuir isotherm described the biosorption of Pb(II) ions onto the biomass (R^2=0.9531) better than the Freundlich model (R^2=0.7984), and the Temkin model (R^2=0.8761). Biosorption kinetics data obtained for the metal ions sorption were fitted using pseudo-first-order and pseudo-second-order. It was ...
The biosorption of copper(II) ions from aqueous solution by Tectona grandis L.f. was studied in a batch adsorption system as a function of pH, metal ion concentration, adsorbent concentration and adsorbent size. The biosorption capacities and rates of copper(II) ions onto T. grandis L.f. were evaluated. The Langmuir, Freundlich, Redlich-Peterson and Temkin adsorption models were applied to describe the isotherms and isotherm constants. Biosorption isothermal data could be well interpreted by the Langmuir model with maximum adsorption capacity of 15.43 mg/g of copper(II) ion on T. grandis L.f. leaves powder. The kinetic experimental data properly correlated with the second-order kinetic model. Various thermodynamic parameters such as {delta}G{sup o}, {delta}H{sup o}, and {delta}S{sup o} were calculated indicating that this system was a spontaneous and exothermic process.
The sequence of nitride formation during the early stages of plasma nitriding of pure iron was studied by optical microscopy, SEM, TEM and x-ray diffraction. Plasma nitriding at {approximately}490 C in a 25 vol.%H{sub 2} + 75 vol.%N{sub 2} mixture starts with the formation of {gamma}{prime}-Fe{sub 4}N after 40s. Once {gamma}{prime} nucleates, it mainly spreads laterally due to diffusion shortcuts in the discontinuous surface nitride layer. Before {gamma}{prime} is continuous on the surface, {epsilon} nucleates on top of it shortly after 40S. Epsilon is then observed to grow, both inwardly and laterally along with {gamma}{prime}. A compact {gamma}{prime}/{epsilon} bilayer forms on the surface at around 100s. The kinetics of nucleation, growth and compactation of the nitrides observed in the present work was significantly more rapid than in any of the nitriding process reported in the literature, including plasma nitriding. The acceleration of the nitriding ...
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 kinetics of a ...
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 ...
The oxidation of CO over a Pt/{gamma}-Al{sub 2}O{sub 3} catalyst was studied by cyclic injection of CO and O{sub 2} pulses under CO and O{sub 2} pressures of 2 and 1 kPa, respectively, at temperatures of 330-650 K. A boundary reaction model yielded kinetic parameters in agreement with the results of published low-pressure studies. For CO{sub 2} formation from O{sub 2}(g) + (CO){sub ad}, CO desorption was the most important step and showed multipeak characteristics and a low activation energy (10 kJ/mol) for the boundary reaction was found. CO{sub 2} formation from O{sub 2}(g) + (CO) as well as from CO(g) + (O){sub ad} resulted from boundary reaction at oxygen island. A reaction mechanism was proposed to account for kinetics observed and interpret the varying observations noted in low-pressure studies in terms of diffusion-disguised kinetics.
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 C. virgatum biomass was feasible, spontaneous and exothermic at 20-50 deg. C. ...
The biosorption characteristics of Cd(II) ions using the red alga (Ceramium virgatum) were investigated. Experimental parameters affecting the 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. The biosorption capacity of C. virgatum biomass for Cd(II) ions was found to be 39.7 mg/g. From the D-R isotherm model, the mean free energy was calculated as 12.7 kJ/mol, indicating that the biosorption of Cd(II) the 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 Cd(II) ions onto C. virgatum was feasible, spontaneous and exothermic at 293-323 K. Evaluation of experimental data in terms of biosorption kinetics showed that the biosorption of Cd(II) C. virgatum followed well pseudo-second-order ...
The kinetics of {sup 14}C-photosynthate import by developing wheat grains was followed after pulse-labeling the flag leaf with {sup 14}CO{sub 2}. Samples were collected from four successive points along the transport pathway to and within the grain: exuding aphid stylets on the peduncle, exuding grain pedicels, the grain crease tissues, and the liquid contents of the endosperm cavity. In addition, microautoradiographs were prepared of the grain crease tissues during movement of the {sup 14}C pulse into the grain. At all times, sucrose accounted for 93 to 97% of the total {sup 14}C present at all four sampling sites. The main features of the {sup 14}C kinetics could be accounted for by a simple compartmental model consisting of sucrose pools in series. Microautoradiographs of the crease tissues showed fairly uniform labeling of vascular parenchyma at all times, with a sharp gradient in labeling across the chalaza to the nucellus. Thus the ...
Despite the rapid development of literature pertaining to fundamental (1-4) studies of oxidation catalysis, a general theory of heterogeneous selective oxidation catalysis explaining the selectivity behavior of different metal oxide systems has not yet been developed. Redox mechanisms have been widely invoked in the kinetic and mechanistic descriptions of selective oxidation reactions, suggesting a dynamic behavior of hydrocarbon and oxygen interactions with the catalyst surface. Nevertheless, most of the recent theoretical approaches of this subject matter (5-7) are essentially static in nature. Correlations are made with surface structure on the basis of crystallographic considerations with selectivity being related to the nature, number, bond-strength and nearness of oxygen atoms in the neighborhood of adsorption centers. The effect of the reaction medium on the configuration of the catalyst surface, and thus its influence on the reaction path, are generally not ...
We introduce a novel search technique that can identify trans-Neptunian objects in three to five exposures of a pointing within a single Hubble Space Telescope (HST) orbit. The process is fast enough to allow the discovery of candidates soon after the data are available. This allows sufficient time to schedule follow-up observations with HST within a month. We report the discovery of 14 slow-moving objects found within 50 of the ecliptic in archival data taken with the Wide Field Channel of the Advanced Camera for Surveys. The luminosity function of these objects is consistent with previous ground-based and space-based results. We show evidence that the size distribution of both high and low inclination populations is similar for objects smaller than 100 km, as expected from collisional evolution models, while their size distribution differs for brighter objects. We suggest that the ...
A system for real-time neutron radiography of moving objects is described. It comprise a source adapted to generate a continuous uninterrupted series of neutron pulses. Each pulse has a predetermined peak power and duration compatible with the framing times of a real-time video imaging system. A transporter moves an object to be examined to bring sequentially position selected portions of the object in the path of the pulses. Where the object itself has moving components, pulses are sequentially incident on the object. According to any dissimilarities, the object will alter the intensity of the neutrons passing therethrough. In order to record separately the changes in the neutron intensity, for each pulse, an imager is positioned to receive the neutron beam pulses which have been altered by their passage through the object and produce ...
A system for real-time neutron radiography of moving objects is described. It comprise a source adapted to generate a continuous uninterrupted series of neutron pulses. Each pulse has a predetermined peak power and duration compatible with the framing times of a real-time video imaging system. A transporter moves an object to be examined to bring sequentially position selected portions of the object in the path of the pulses. Where the object itself has moving components, pulses are sequentially incident on the object. According to any dissimilarities, the object will alter the intensity of the neutrons passing therethrough. In order to record separately the changes in the neutron intensity, for each pulse, an imager is positioned to receive the neutron beam pulses which have been altered by their passage through the object and produce ...
A technical committee reported on: (1) proposed water quality objectives for the San Joaquin River Basin; (2) proposed effluent limitations for agricultural drainage discharges in the basin to achieve these objectives; and (3) a proposal to regulate these discharges. The costs and economic impact of achieving various alternative water quality objectives were also evaluated. The information gathered by the technical committee will be used by the Regional Board along with other information in their review of the San Joaquin River Basin Water Quality Control Plan and their actions to regulate agricultural drainage in the San Joaquin Valley. The results of the Technical Committee's efforts as reported in Regulation of Agricultural Drainage to the San Joaquin River, August 1987. Based on the available information, the improvement in water quality resulting from implementation of the interim selenium ...
Demands for electric power system, which include not only minimization of generation cost but also protection of environmental condition and maintenance of transmission security, have been diversified The priority of these objectives may change according to load change, weather, and other conditions. Since these objectives are usually in a trade-off relationship and generally non-commensurable, it is difficult to handle by conventional optimization of a single objective function. This report describes multi-objective scheduling of thermal power system. The adaptability of three performance indicies, such as economic efficiency, NO{sub x} emission, and transmission security, to operators are defined by membership functions in fuzzy set theory. coordinated solution in which the adaptability of operators is maximized can be obtained by maximizing the fuzzy decision-making function composed of the ...
We consider chemical reaction networks taken with mass action kinetics. The steady states of such a system are solutions to a system of polynomial equations. Even for small systems the task of finding the solutions is daunting. We develop an algebraic framework and procedure for linear elimination of variables. The procedure reduces the variables in the system to a set of "core" variables by eliminating variables corresponding to a set of non-interacting species. The steady states are parameterized algebraically by the core variables, and a graphical condition is given for when a steady state with positive core variables necessarily have all variables positive. Further, we characterize graphically the sets of eliminated variables that are constrained by a conservation law and show that this conservation law takes a specific form.
We have investigated the microstructure evolutions in the Ti17 near #beta# titanium alloy during heat treatments. The phase transformation has first been studied experimentally by combining X-ray diffraction analysis, electrical resistivity and microscopy observations. From a series of isothermal treatments, a IT diagram has been determined, which takes into account the different morphologies. Then, a Johnson-Mehl-Avrami-Kolmogorov (JMAK) model has been successfully used to describe the phase transformation kinetics during either isothermal or cooling treatments. Finally, the coupling of the JMAK model to the finite element software ZeBuLoN allowed us to investigate the evolution of the spatial distribution of the different morphologies during the cooling of an aircraft engine shaft disk after forging.
This paper presents results of studying the thermo-transferred thermoluminescence (TTTl) phenomenon in potassium-yttrium double fluoride doped with terbium (K_2YF_5_:Tb) at different impurity concentrations (0.8%, 0.95% and 0.99%). Previously to study the TTTl phenomenon, structural characterization and chemical composition of the materials were determined. The structural studies were conducted using a scanning electron microscope; meanwhile, chemical composition was analyzed using energy dispersive X-ray spectroscopy. Thermoluminescence kinetics was studied irradiating the samples with "1"3"7Cs gamma rays as well as with "9"0Sr/"9"0Y beta rays, analyzing the glow curves by the deconvolution method for obtaining the kinetic parameters. (Author)
The oxidation of n-butylbenzene was studied in a jet-stirred reactor (JSR) at 10atm in dilute conditions providing new experimental results over the low- and high-temperature range 550-1180K, and variable equivalence ratio (0.25ϕ1.5). They consisted of concentration profiles of the reactants, stable intermediates and final products, measured as a function of temperature, at a constant residence time of 1s, by sonic probe sampling followed by on-line GC-MS and off-line GC-TCD-FID and GC-MS analyses. The oxidation of n-butylbenzene in these conditions was modeled using a detailed chemical kinetic reaction mechanism (404 species and 2210 reactions, most of them reversible) deriving from a previous scheme proposed for the ignition, oxidation, and combustion of simple aromatics (benzene,...
Blood kinetics and tissue distribution of 20, 80 and 110 nm silver nanoparticles were investigated in rats up to 16 days after intravenous administration once daily for 5 consecutive days. Following both single and repeated injection, silver nanoparticles disappeared rapidly from the blood and distributed to all organs evaluated (liver, lungs, spleen, brain, heart, kidneys and testes) regardless of size. The 20 nm particles distributed mainly to liver, followed by kidneys and spleen, whereas the larger particles distributed mainly to spleen followed by liver and lung. In the other organs evaluated, no major differences between the sizes were observed. Size-dependent tissue distribution suggests size-dependent toxicity and health risks. Repeated administration resulted in accumulation in li...
We study the dynamics of states perturbatively expanded about a harmonic system of loop quantum cosmology, exhibiting a bounce. In particular, the evolution equations for the first and second order moments of the system are analyzed. These moments back-react on the trajectories of the expectation values of the state and hence alter the energy density at the bounce. This analysis is performed for isotropic loop quantum cosmology coupled to a scalar field with a small but non-zero constant potential, hence in a regime in which the kinetic energy of matter dominates. Analytic restrictions on the existence of dynamical coherent states and the meaning of semi-classicality within these systems are discussed. A numerical investigation of the trajectories of states that remain semi-classical across the bounce demonstrates that, at least for such states, the bounce persists and that its properties are similar to the standard case, in which the moments of the states are ...
The effect of sodium on the partial oxidation of methane over MoO{sub 3}-SiO{sub 2} in the presence of molecular oxygen has been investigated. As in the sodium-free case, the major products are formaldehyde, carbon monoxide, carbon dioxide, and water. Kinetic analysis indicates that methane is directly oxidized to formaldehyde and carbon dioxide. Formaldehyde is oxidized to carbon monoxide, which is itself further oxidized, providing an alternative route to carbon dioxide. The kinetic model shows that sodium poisons the direct oxidation of methane to formaldehyde and carbon dioxide, but promotes the oxidation of formaldehyde and carbon monoxide. Model predictions of rates and selectivities are in good agreement with the experimental data. A mechanism that explains both the poisoning and promotion effects of sodium on MoO{sub 3}-SiO{sub 2} is proposed.
The non-isothermal pyrolysis kinetics of Acetocell (the organosolv) and Lignoboost (kraft) lignins, in an inert atmosphere, have been studied by thermogravimetric analysis. Using isoconversional analysis, it was concluded that the apparent activation energy for all lignins strongly depends on conversion, showing that the pyrolysis of lignins is not a single chemical process. It was identified that the pyrolysis process of Acetocell and Lignoboost lignin takes place over three reaction steps, which was confirmed by appearance of the corresponding isokinetic relationships (IKR). It was found that major pyrolysis stage of both lignins is characterized by stilbene pyrolysis reactions, which were subsequently followed by decomposition reactions of products derived from the stilbene pyrolytic pr...
Mesocarp tissue from sucrose-accumulating sweet melon (Cucumis melo cv. Galia) showed sucrose synthase activity (ca 1 nkat/gfw) while soluble acid invertase and sucrose phosphate synthase activities were not observed. Sucrose uptake into mesocarp discs was linear with sucrose concentration (1-500 mM) and unaffected by PCMBS and CCCP. Sucrose compartmentation into the vacuole also increased linearly with sucrose concentration as indicated by compartmental efflux kinetics. Mesocarp discs incubated in /sup 14/C-fructose + UDP-glu synthesized /sup 14/C-sucrose and efflux kinetics indicated that the /sup 14/C-sucrose was compartmentalized. These data support the hypothesis that two mechanisms are involved in sucrose accumulation in sweet melon: (1) compartmentation of intact sucrose and (2) synthesis of sucrose via sucrose synthase and subsequent compartmentation in the vacuole.
The condensation reaction of furfural (F) on acetone (Ac) gives a high added value product, the 4-(2-furyl)-3-buten-2-one (FAc), used as aroma in alcohol free drinks, ice, candies, gelatines and other products of current life. This synthesis valorises the residues of sugar cane treatment since furfural is obtained by hydrolysis of sugar cane bagasse followed by vapor training extraction. In the face of numerous and complex reactions involved in this synthesis, it is very complicated to define the kinetic laws from exact stoichiometry. A solution allowing to cope the problem consists in identifying an appropriate stoichiometric model. It does not attempt to represent exactly all the reaction mechanisms, but proposes a mathematical support to integrate available knowledge on the transformati...
In this paper, steady-state isotopic transient kinetic analysis (SSITKA) is used to study two model reactions, CO oxidation and CO-NO reactions, on a typical formulation of a three-way auto-catalyst. Under steady-state conditions, abrupt switches in the isotopic composition of CO ("1"2C"1"6O/"1"3C"1"8O) were carried out to produce isotopic transients in both labeled reactants and products. Along with the determination of the average surface lifetimes and concentrations of reaction intermediates, an analysis of the transient responses along the carbon reaction pathway indicated that the distribution of active sites for the formation of CO_2 was bimodal for both reactions. Furthermore, relatively few surface sites contributed to the overall reaction rate.
A numerical model is developed to study electrolyte dependent kinetics in fuel cells. The model is based on the Poisson-Nernst-Planck (PNP) and generalized-Frumkin-Butler-Volmer (gFBV) equations, and is used to understand how the diffuse layer and ionic transport play a role in the performance difference between acidic and alkaline systems. The laminar flow fuel cell (LFFC) is used as the model fuel cell architecture to allow for the appropriate comparison of equivalent acidic and alkaline systems. We study the overall cell performance and individual electrode polarizations of acidic and alkaline fuel cells for both balanced and unbalanced electrode kinetics as well as in the presence of transport limitations. The results predict cell behavior based on electrolyte composition that strongly...
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...
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...
The transformation from the as-quenched amorphous to the crystalline state in Fe_7_8B_1_3Si_9 alloy has been investigated using a new-type neutron diffractometer. The time resolved diffraction patterns clearly show that this alloy crystallizes into FeSi alloy and Fe_2B in that order. The time evolution of these crystalline phases can be analyzed by the Kolmogorov-Johnson-Mehl-Avrami equation with the exponent of about 2.5 over a wide temperature range. This suggests that the crystallization occurs by the diffusion-controlled growth with a constant nucleation rate. The scaling behavior in the crystallization kinetics is also discussed. (author).
The transformation from the as-quenched amorphous to the crystalline state in Fe/sub 78/B/sub 13/Si/sub 9/ alloy has been investigated using a new-type neutron diffractometer. The time resolved diffraction patterns clearly show that this alloy crystallizes into FeSi alloy and Fe/sub 2/B in that order. The time evolution of these crystalline phases can be analyzed by the Kolmogorov-Johnson-Mehl-Avrami equation with the exponent of about 2.5 over a wide temperature range. This suggests that the crystallization occurs by the diffusion-controlled growth with a constant nucleation rate. The scaling behavior in the crystallization kinetics is also discussed.
The rate was studied of radiation destruction of phenol aqueous solutions at a concentration range of 1 to 100 ppm. Irradiated were model solutions containing additions of some organic and inorganic substances typical of the petrochemical industry. In view of the fact that the radiation destruction kinetics is determined by the amount of dissolved oxygen in the sample and by the phenol concentration, relatively low doses were used. Thus, a sufficient amount of oxygen in the sample and therefore the oxidation mechanism of radiolysis were ensured. The dose-response relationships for phenol destruction were studied using doses of 50, 100, 200 and 400 J.kg"-"1; the limit dose was 500 J.kg"-"1. From the results obtained, a kinetic model was constructed of radiation phenol oxidation in aqueous solutions in the presence of various organic and inorganic additions. (B.S.).
Using a novel, pulsed micro-second time-resolved photoacoustic (PA) instrument, we measured thermal dissipation and energy storage (ES) in the intact cells of wild type (WT) Chlamydomonas reinhardtii, and mutants lacking either PSI or PSII reaction centers (RCs). On this time scale, the kinetic contributions of the thermal expansion component due to heat dissipation of absorbed energy and the negative volume change due to electrostriction induced by charge separation in each of the photosystems could be readily distinguished. Kinetic analysis revealed that PSI and PSII RCs exhibit strikingly different PA signals where PSI is characterized by a strong electrostriction signal and a weak thermal expansion component while PSII has a small electrostriction component and large thermal expansion....
Abstract Phase-separation dynamics are investigated by SALS in aqueous MC solutions in the presence of 5% NaCl, promoted by a quench temperature. The observed scattering peak indicates that the phase separation occurs by the SD mechanism, leading to a bicontinuous structure. A semilog plot of I(q) against time in the early stage of SD gives a straight line, but the position of qmax varies; also, a Cahn-Hilliard plot indicates that diffusive processes dominate and the data can be described by linear CHC theory. Dapp shows a kinetic dependency on the quench temperature. The spinodal temperature of the sample is 41-C. In the late stages, S(q,t) collapses into a universally time-independent curve.
A non-dissipative drift kinetic simulation scheme, which rigorously satisfies the time-reversibility, is applied to the three-mode coupling problem of the ion temperature gradient (ITG) instability. It is found from the simulation that the three-mode ITG system repeats growth and decay with a period which shows a logarithmic divergence for infinitesimal initial perturbations. Accordingly, time average of the mode amplitude vanishes, as the initial amplitude approaches to zero. An exact solution is analytically given for a class of initial conditions. An excellent agreement is confirmed between the analytical solution and numerical results. The results obtained here provide a useful reference for basic benchmarking of theories and simulation of the ITG modes. (author)
A kinetic model based on the Mars-van Krevelen mechanism that allows to describe the microkinetics of the heterogeneously catalysed partial oxidation of {alpha}, {beta}-unsaturated aldehydes is presented. This conversion is represented by a network, composed of the oxidation of the {alpha}, {beta}-unsaturated aldehyde towards the {alpha}, {beta}-unsaturated carboxylic acid and the consecutive oxidation of the acid as well as the parallel reaction of the aldehyde to products of deeper oxidation. The reaction steps of aldehyde respectively acid oxidation and catalyst reoxidation have been investigated separately in transient experiments. The combination of steady state and transient experiments has led to an improved understanding of the interaction of the catalyst with the aldehyde and the carboxylic acids as well as to a support of the kinetic model assumptions. (orig.)
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 to data obtained at only one temperature.
Proteins aggregated into spherulite structures of amyloid fibrils have been observed in patients with certain brain diseases such as Alzheimers and Parkinsons. The conditions under which these protein spherulites form and grow are not currently known. In order to illuminate the role of environmental factors on protein spherulites, this research aims to explore the kinetics and mechanisms of spherulite formation and growth, as monitored by optical microscopy, in a range of salt concentrations, and initial protein concentrations for two model proteins: bovine b-lactoglobulin and insulin. These two proteins are significantly different in their size and fibril growth rate, but both of these proteins have been shown previously to form amyloid fibrils and spherulites under low pH conditions. The...
One third of the microstructure of glassy carbon (GC) consists of closed pores. Density measurements indicate that the total pore volume depends only on the heat treatment temperature and not on the heat treatment time, a characteristic of coarsening. The kinetics of coarsening of these pores on heat treatment has been investigated by analyzing the changes in specific surface area of the pores as determined by the small angle X-ray scattering (SAXS) technique. A part of the surface area change is due to thermal expansion induced microcracking. Both the superposition method after correcting the thermal expansion induced surface area change and the curve fitting method give an activation energy of 64 +/- 10 kcal/mole. This value is compared with the activation energies of various rate processes in graphite. A model of coarsening of the pores based on a vacancy migration mechanism is proposed.
Green crab (Scylla serrata) alkaline phosphatase (EC 3.1.3.1) is a metalloenzyme, which catalyzes the nonspecific hydrolysis of phosphate monoesters. The kinetics of inhibition of the enzyme by sodium (2, 2'-bipyridine) oxodiperoxovanadate, pV(bipy), has been studied. The time course of the hydrolysis of p-nitrophenyl-phosphate catalyzed by the enzyme in the presence of different pV(bipy) concentrations showed that at each pV(bipy) concentration, the rate decreased with increasing time until a straight line was approached, the straight line slopes are the same for all concentrations. The results suggest that the inhibition of the enzyme by pV(bipy) is a slow, reversible reaction with fractional remaining activity. The microscopic rate constants are determined for the reaction of inhibitor with the enzyme. PMID:10691182
Poly(ethylene terephthalate) (PET) powder from waste bottles was degraded at atmospheric pressure in 7--13 M nitric acid at 70--100 C for 72 h, to clarify the mechanism of a feed stock recycling process. Terephthalic acid (TPA) and ethylene glycol (EG) were produced by the acid-catalyzed heterogeneous hydrolysis of PET in nitric acid, and the resulting EG was simultaneously oxidized to oxalic acid. The kinetics of the hydrolysis of PET in nitric acid could be explained by a modified shrinking core model of chemical reaction control, in which the effective surface area is proportional to the degree of unreacted PET, affected by the deposition of the product TPA. The apparent rate constant was inversely proportional to particle size and to the concentration of the nitric acid. The activation energy of the reaction was 101.3 kJ/mol.
A bubble column absorber was used to investigate kinetics of the reaction between carbon dioxide and aqueous solutions of diisopropanolamine (DIPA), by means of gas absorption experiments. These were conducted in the temperature range of 10 to 40deg C, with DIPA concentrations from 5 to 500 mol/m{sup 3}, and CO{sub 2} partial pressures between 5 and 101 kPa. A model based on the Danckwerts' surface reneval theory was used to analyze the experimental results and to determine the rate constant. The obtained data support the assumption of a second-order overall reaction, with the rate constants being well correlated by the Arrhenius equation: k{sub 2} = 1.112 x 10{sup 10} exp(-4848/T). (orig.).
A novel wastewater treatment technique has been investigated, for reactive dye removal, in batch kinetic systems. These experimental studies have indicated that charred dolomite has the potential to act as an adsorbent for the removal of Brilliant Red reactive dye from aqueous solution. The effect of initial dye concentration, adsorbent mass:liquid volume ratio, and agitation speed on dye removal have been determined with the experimental data mathematically described using empirical external mass transfer and intra-particle diffusion models. The experimental data show conformity with an adsorption process, with the removal rate heavily dependent on both external mass transfer and intra-particle diffusion. PMID:12691893
When clinoptilolite is immobilized in cement-based composites, a series of reactions occur, leading to release of Cs. These reactions occur in three overlapping stages: a rapid ion exchange, followed by a somewhat slower reaction between clinoptilolite and principally the Ca(OH)_2 component of cement, and, in the longer term, slower reactions with C-S-H leading either to formation of low-lime C-S-H at temperatures below 100"0C or 11 A (1.1 nm) tobermorite at higher temperatures. Kinetic data are presented to evaluate the rate of physical consumption of the zeolites at 70 and 150"0C. Reactions occurring above 100"0C appear to result in the development of extensive microcracking of cement-zeolite composites containing 50% zeolite.
A study was made of the kinetics of L-(/sup 3/H)quinuclidinyl benzilate binding with membrane-bound muscarine cholinoreceptors from the rat brain. Determination was made of the rate constants of this process, and constants as a function of ligand concentration was investigated, indicating that there is a complex mechanism of interaction of antagonists with muscarine receptor. With up to 3.5 nM concentrations of L-(/sup 3/H)quinuclidinyl benzilate, the binding reaction occurs in two stages: rapid equilibrated binding is followed by a slow process of conformational isomerization of the receptor-ligand complex. At higher ligand concentrations, there is additional drastic increase in constant of rate of ligand binding a new plateau is reached. Such dependence of rate constant on ligand concentration is indicative of the cooperative nature of interaction between antagonists and muscarine receptors. This is possible if there are in the receptor complex several binding ...
In order to apply chemical-looping combustion to a practical power plant, carbon deposition on the solid particle is one of the key problems to be overcome. Six kinds of solid particles were examined to clarify the kinetic behavior of carbon deposition. The effects of the solid composition, feed gas composition, and reaction temperature on carbon deposition were investigated by thermogravimetrical reactor on the basis of NiO/YSZ particle. From the viewpoints of both reactivity and resistance against carbon deposition, the particle of NiO mixed with YSZ (i.e., yttria-stabilized zirconia) was found to be a good candidate for chemical-looping combustion. It has been observed that carbon deposition could be completely avoided with very low concentration of water vapor. By means of a proposed model, the condition that carbon deposition would be avoided was identified. 12 refs., 8 figs., 2 tabs.
The finite element method and dimensional analysis have been applied in the present paper to study a hydraulic impact, which is utilized in a non-explosive rock breaking technology in mining industry. The impact process of a high speed piston on liquid water, previously introduced in a borehole drilled in rock, is numerically simulated. The research is focused on the influences of all the parameters involved in the technology on the largest principal stress in the rock, which is considered as one of the key factors to break the rock. Our detailed parametric investigation reveals that the variation of the isotropic rock material properties, especially its density, has no significant influence on the largest principal stress. The influences of the depth of the hole and the depth of the water column are also very small. On the other hand, increasing the initial kinetic energy of the piston can dramatically increase the largest principal stress and the best way to ...
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...
Abstract Hybrid power plants consisting of a solid oxide fuel cell (SOFC) and a gas turbine show high electrical efficiencies, however require pressurisation of the SOFC to several bar. This paper presents a theoretical investigation of the pressure influence on SOFC performance and durability. A two-dimensional elementary kinetic model is used to predict the performance of a single cell in the pressure range of 1-20-bar. The influence of pressure on thermodynamics, reaction kinetics, porous electrode diffusion, channel transport and efficiency is assessed. It was found that polarisation resistance decreases with increasing pressure due to increased diffusion through porous electrodes and a higher electrode surface coverage with reactant species. Furthermore, open-circuit voltage increases...
Studies on the kinetics of the distribution of lead-203 in body fluids have been carried out in vitro, and in animal studies using beagle dogs. In vitro, the distribution of carrier free lead-203 between plasma and cells of canine blood at 37"0C was measured after the addition of isotope. In animal studies, activity in plasma was measured for about 150 hours, and activity in blood cells, urine and feces measured for about 400 hours after exposure to lead-203. Linear compartmental models for distribution of the isotope are presented for both in vitro and in vivo experimental systems. The models contain compartments for both untransformed lead, for isotope added in saline or citric acid, and transformed lead, as obtained by lead-203 incubation in plasma.
The present study was designed with an aim to analyze the effect of acute aluminium phosphide (ALP) exposure (10mg/kg b.wt, intragastrically) on the kinetic characteristics of cytochrome oxidase and energy metabolism in male Wistar rat liver mitochondria. Liver mitochondrial preparations from ALP-treated rats exhibited significant decrease (66%) in the activity of cytochrome oxidase suggesting that there was a decrease in the catalytic efficiency of the active oxidase molecules on ALP treatment. The decreased activity of cytochrome oxidase with altered NADH and succinic dehydrogenase activities might have contributed towards a significant decline in state 3 and state 4 respiration as observed. These alterations in the electron transport chain complexes in turn adversely affected the ATP sy...
Pulse radiolysis studies of the formation kinetics and the yields of various phenylcarbenium ions from several different solutes in 1,2-dichloroethane solution have been carried out. The results indicate that there are two kinetically distinguishable cationic species of the solvent which react selectively with the different solutes to form the phenylcarbenium ions. It is suggested that one is a cation radical (yield 0.68 molecule/100 eV) and the other a carbocation (yield 0.20 molecule/100 eV). Rate constants for their separate reactions with selected aromatic compounds and with ammonia have been determined. Molar extinction coefficients have been estimated for benzyl cation, diphenyl cation radical, and anthracene cation radical. 6 figures, 1 table.
Pulse radiolysis studies of the formation kinetics and the yields of various phenylcarbenium ions from several different solutes in 1,2-dichloroethane solution have been carried out. The results indicate that there are two kinetically distinguishable cationic species of the solvent which react selectively with the different solutes to form the phenylcarbenium ions. It is suggested that one is a cation radical (yield 0.68 molecule/100 eV) and the other a carbocation (yield 0.20 molecule/100 eV). Rate constants for their separate reactions with selected aromatic compounds and with ammonia have been determined. Molar extinction coefficients have been estimated for benzyl cation, diphenyl cation radical, and anthracene cation radical. 6 figures, 1 table.
The ball-milling method was used to produce Mg-50 wt.% ZrFe{sub 1.4}Cr{sub 0.6} composite. The thermodynamic, kinetic, and cycling properties, as well as the resistance to oxidation were examined. This composite possesses excellent kinetic properties, even at moderate temperature. Scanning electron microscopy, energy-dispersive spectrum, transmission electron microscopy and X-ray diffraction were used to characterize the composite before and after hydriding. The fine ZrFe{sub 1.4}Cr{sub 0.6} particles covering Mg particles acting as a ''catalytic film'', a significant amount of imperfections and some alloy powder in the Mg matrix introduced by ball milling all contributed to the enhanced absorption/desorption rate. (orig.)
Iron nanoparticles were produced using extracts of green tea leaves (GT-Fe NPs). The materials were characterized using TEM, SEM/EDX, XPS, XRD, and FTIR techniques and were shown to contain mainly iron oxide and iron oxohydroxide. The obtained nanoparticles were then utilized as a Fenton-like catalyst for decolorization of aqueous solutions containing methylene blue (MB) and methyl orange (MO) dyes. The related experiments investigated the removal kinetics and the effect of concentration for both MB and MO. The concentrations of dyes in aqueous solution were monitored using ultraviolet-visible (UV-vis) spectroscopy. The results indicated fast removal of the dyes with the kinetic data of MB following a second order removal rate, while those of MO were closer to a first order removal rate. T...
This communication reports the formation of complex Langmuir monolayer at the air-water interface by charge transfer types of interaction with the water soluble N-cetyl Formula Not Shown -trimethyl ammonium bromide (CTAB) molecules doped with rosebengal (RB), with the stearic acid (SA) molecules of a preformed SA Langmuir monolayer. The reaction kinetics of the formation of RB-CTAB-SA complex monolayer was monitored by observing the increase in surface pressure with time while the barrier was kept fixed. Completion of interaction kinetics was confirmed by FTIR study. This complex Langmuir films at the air-water interface was transferred onto solid substrates at a desired surface pressure to form multilayered Langmuir-Blodgett films. Spectroscopic characterizations reveal some molecular lev...
New non-stationary non-contracted form of the erosive radially-slotted discharge as a thin round sheet with the current of the azimuth direction have been discovered, its existence beings stipulated by a radial transport-wave fluxes. Characteristic features of this discharge is self-confinement of the discharge current magnitude, corresponding decrease of the current pulse duration and occurrence of an energy and substance ejection with rather unusual properties. Measurements of kinetics of the discharge current, the plasma radiation intensity and an electrical probe signal, as well as the transmission electron microscope investigations of characteristic aerodisperse aggregates arising the erosive phase, have been carried out. The probe signal duration was about 10 times greater than that of the current; its kinetics was complicated suggesting existence in the slot of two components with fundamentally different properties and states of the ...
The kinetics of passive film formation on iron in borate buffer solution has been studied at different anodic potentials. The process of film growth has been found to occur in four distinct stages. About 80-90% of the total film thickness formed in 1h grows during the initial two stages which last for only 1-3s (depending upon potential). The electric field strength across the film is not constant but decreases with progressing film growth. The thickness of the film determined ellipsometrically is less than that calculated from the electric charge consumed. The process of anodic film formation is accompanied by the dissolution of iron which occurs over the whole range of potentials.
Abstract In this research, the efficiency of electrocoagulation treatment process using aluminum electrodes to treat synthetic wastewater containing Reactive Red198 (RR198) was studied. The effects of parameters such as voltage, time of reaction, electrode connection mode, initial dye concentration, electrolyte concentration, and inter electrode distance on dye removal efficiency were investigated. In addition, electrical energy consumption, electrode consumption, and operating cost at optimum condition have been investigated. The results showed that dye and chemical oxygen demand removals were 98.6 and 84%, respectively. Electrode consumption, energy consumption and operating cost were 0.052-kg/m3, 1.303-kWh/m3 and 0.256-US$/m3, respectively. Dye removal kinetic followed first order kinet...
Abstract The recent paper by Heyer et al. indicates that observations of size, linewidth and column density of interstellar clouds do not agree with simple virial equilibrium (SVE) as a balance between gravitational and kinetic energies in the sense that the clouds either have too much kinetic energy or too little mass to be bound. This may be explained by violation of SVE as suggested by Dobbs et al., by observational underestimation of the masses as suggested by Heyer et al. or by an external pressure acting as an additional confining force as suggested earlier by Heyer et al. The data of Heyer et al. cannot be explained with a single value for the external pressure, but if different clouds in the sample have different external pressures in the range of Pe/k= 104-107 cm-3-K, then most of...
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.
The depolymerization of polybutylene terephthalate (PBT) in supercritical methanol was investigated by using a batch autoclave reactor. Continuous kinetics analysis was applied to experimental data. It was observed that PBT could dissolve into supercritical methanol quickly and decompose completely in a homogeneous phase. PBT with average molecular weight of about 29 700 was converted to oligomer with that of 4200 within 10 min and with that of 2700 in 15 min at 513 K and converted into monomer completely within 22 min. The main reaction products decomposed of PBT were dimethylterephthalate (DMT) and 1, 4-butanediol (BG) by methanolysis. The yields of monomer components of the decomposition products, including byproducts were measured. The yields of DMT and BG could reach 94.5% and 70.1%, ...
We describe a large class of chemical reaction networks, those endowed with a subtle structural property called concordance. We show that the class of concordant networks coincides precisely with the class of networks which, when taken with any weakly monotonic kinetics, invariably give rise to kinetic systems that are injective --- a quality that, among other things, precludes the possibility of switch-like transitions between distinct positive steady states. We also provide persistence characteristics of concordant networks, instability implications of discordance, and consequences of stronger variants of concordance. Some of our results are in the spirit of recent ones by Banaji and Craciun, but here we do not require that every species suffer a degradation reaction. This is especially important in studying biochemical networks, for which it is rare to have all species degrade.
The kinetics of biosorption and desorption of lindane by live activated sludge and the fungus R. arrhizus was studies. The results from the use of live activated sludge suggest that besides biosorption, other lindane removal mechanisms acted in parallel. Most probably, biodegradation. A relationship between biodegradation and bisorption-desorption was established. Mass spectroscopy and gas chromatography studies suggested the presence of lindane biodegradation by products. Lindane accumulated by the live activated sludge could be desorbed while being biodegraded at the same time. Values for lindane biokinetic constants were estimated. Biosorption of lindane by live R. arrhizus is a rapid and reversible process with no indication of biodegradation. Values for the lindane biotransformation kinetic coefficients were estimated. (orig.).
A Brownian dynamics simulation has been used to investigate the aggregation kinetics of bimodal colloidal mixtures with similar surface chemistries but different sizes, driven by the DLVO interaction potential. The time evolution of structural formation is examined by the mean number of neighbors under fast and slow aggregation regions. It was found that the electrolyte ionic strength affects the kinetic pattern of colloidal aggregation. Under the high electrolyte ionic strength conditions (fast aggregation), the selective aggregation of the least stable single component can take place in the early stage, while the other component is enriched in this least stable component in the later stage. With the ionic strength decreasing (towards the slow aggregation), the hybrid aggregation (selecti...
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.
A new principle of particle trapping in the simple spherical cavity using both electric and magnetic components of radiofrequency electromagnetic field is proposed. The electric component of H {sub 12} oscillating mode drives the fast particle oscillations, while the magnetic component synchronously bends the trajectories to the cavity center. A specially developed theory of particle stability predicts dense and energetic electron cluster in the trap. Numerical simulations of particle dynamics in the complete electromagnetic field taking into account both space charge and particle-induced magnetic field are in good agreement with the analytic results, giving a density of 2.6*10{sup 1} electrons/cm{sup 3} and an average kinetic energy of around 30 keV at an operating frequency of 3 GHz. Being used at lower frequency, spherical cavity can trap protons and heavier ions too, but with lower density and kinetic energy.
The goal of this work is to present a systematic Monte Carlo validation study on the clinical implementation of the enhanced dynamic wedges (EDWs) into the Pinnacle"3 (Philips Medical Systems, Fitchburg, WI) treatment planning system (TPS) and QA procedures for patient plan verification treated with EDWs. Modeling of EDW beams in the Pinnacle"3 TPS, which employs a collapsed-cone convolution superposition (CCCS) dose model, was based on a combination of measured open-beam data and the 'Golden Segmented Treatment Table' (GSTT) provided by Varian for each photon beam energy. To validate EDW models, dose profiles of 6 and 10 MV photon beams from a Clinac 2100 C/D were measured in virtual water at depths from near-surface to 30 cm for a wide range of field sizes and wedge angles using the Profiler 2 (Sun Nuclear Corporation, Melbourne, FL) diode array system. The EDW output factors (EDWOFs) for square fields from 4 to 20 cm wide were measured in virtual water using a ...
A large database (507 station-years) of daily suspended particulate matter (SPM) concentration and discharge data from 36 stations on river basins ranging from 600?km2 to 600,000?km2 in size (USA and Europe) was collected to assess the effects of SPM transport regime on bias and imprecision of flux estimates when using infrequent surveys and the discharge-weighted mean concentration method. By extracting individual SPM concentrations and corresponding discharge values from the database, sampling frequencies from 12 to 200 per year were simulated using Monte Carlo techniques. The resulting estimates of yearly SPM fluxes were compared to reference fluxes derived from the complete database. For each station and given frequency, bias was measured by the median of relative errors between estima...
We study the finite temperature electroweak transition with non-perturbative lattice Monte Carlo simulations. We find that it is of first order, at least for Higgs masses up to 80 GeV. The critical temperature of the phase transition is found to be smaller than that determined by a 2-loop renormalization group improved effective potential. The jump of the order parameter at the critical temperature is considerably larger than the perturbative value. By comparing lattice data and perturbation theory, we demonstrate that the latter, for the computation of the vacuum expectation value of the Higgs field v(T) in the broken phase at given temperature, converges quite well, provided v(T)/T>1. An upper bound on the Higgs mass necessary for electroweak baryogenesis in the light of the lattice data is briefly discussed.
We point out that the occurrence of a large-distance ''Coulomb'' term in the static quark-antiquark potential is related to tachyons in the underlying string model. Thus, the tachyon contents determine the coefficient of the ''Coulomb'' term. For a scalar string, one has Luescher's result -(d-2) /24R, for a Neveu-Schwarz string one obtains -(d-2) /16R, whereas for the Ramond string (and strings without tachyons) the ''Coulomb'' term vanishes. Monte Carlo data for QCD prefers a ''Coulomb'' term. This is not inconsistent with the tachyonic origin of this term, since the large-distance behaviour of string models is consistent even with tachyons. Also, critical dimensions are not necessary at large distances.
We have studied, by a Monte Carlo simulation code ACAT-DIFFUSE, the fluence-dependence of the amount of retained helium atoms in tungsten carbide at room temperature under helium ion bombardment. The retention behavior may be understood qualitatively in terms of irradiation-dependent diffusion coefficient assumed and range. The emission processes from tungsten carbide under helium ion irradiation derived were compared with each other. We have discussed the retention curves for incident energy of 5 keV at incident angles of 0deg and 80deg and of 500 eV at 0deg. The energy spectra of helium atoms reflected from tungsten carbide for incident energy of 500 eV at 0deg and 80deg were compared with those from graphite and tungsten. (author)
New values of the factors required to convert the reading of a radiation dosemeter calibrated in terms of air kerma (or exposure) into absorbed dose to water for medium-energy x-radiation were given in a code of practice published by the International Atomic Energy Agency in 1987. These are not considered to possess sufficient support from other sources. It is therefore recommended that the F-factors given or codes of practice should continue to be used. Values of backscatter factors for low-energy x-radiation (below 140 kV) in Supplement 17 of the British Journal of Radiology appear to be inaccurate. New values based on Monte Carlo calculations, and supported by new experimental data, are given for use in radiotherapy. (author).
New values of the factors required to convert the reading of a radiation dosemeter calibrated in terms of air kerma (or exposure) into absorbed dose to water for medium-energy x-radiation were given in a code of practice published by the International Atomic Energy Agency in 1987. These are not considered to possess sufficient support from other sources. It is therefore recommended that the F-factors given or codes of practice should continue to be used. Values of backscatter factors for low-energy x-radiation (below 140 kV) in Supplement 17 of the British Journal of Radiology appear to be inaccurate. New values based on Monte Carlo calculations, and supported by new experimental data, are given for use in radiotherapy. (author).
The Front End Enclosure (FEE) of the Linac Coherent Light Source (LCLS) is a shielding housing located between the electron dump area and the first experimental hutch. The upstream part of the FEE hosts the commissioning diagnostics for the FEL beam. In the downstream part of the FEE, two sets of grazing incidence mirror and several collimators are used to direct the beam to one of the experimental stations and reduce the bremsstrahlung background and the hard component of the spontaneous radiation spectrum. This paper addresses the beam loss assumptions and radiation sources entering the FEE used for the design of the FEE shielding using the Monte-Carlo code FLUKA. The beam containment system prevents abnormal levels of radiations inside the FEE and ensures that the beam remains in its intended path is also described.
Drug particle size distribution has a profound impact to the content uniformity in low-dose solid drug products. We derived theoretically the skewness of potency distribution as a function of particle size distribution and target dose. It was demonstrated that both skewness and coefficient of variation diverge simultaneously with inverse square root of the target dose. This scaling relation was observed in recent experiment and was verified by Monte Carlo (MC) simulation, which was employed for the first time to solve for the full potency distribution from a random retrieving model. When tested against the criteria from USP uniformity of dosage units, MC simulation showed a striking anisotropic distribution of the data. This suggests a full-scale consideration of the potency distribu...
To establish the phylogeographic relationships in rabies viruses in Brazil, we studied a dataset retrieved from GenBank consisting of 71 genetic sequences from the coding region of the N gene of rabies viruses isolated in dogs over a period of 22?years. The Bayesian Markov chain Monte Carlo method available in the BEAST package was used with the GTR+G+?4 evolutionary model in conjunction with the relaxed uncorrelated lognormal molecular clock model and an exponential growth tree prior. A discrete phylogeographic diffusion model was also analyzed using a standard continuous-time Markov chain viewed with Google Earth to provide a spatial projection of the diffusion of genetic lineages based on their phylogeographic relationships. The topology of the time and substitution phylogenetic trees a...
Using a Markov Chain Monte Carlo optimization algorithm and a computer simulation, I find the passenger ordering which minimizes the time required to board the passengers onto an airplane. The model that I employ assumes that the time that a passenger requires to load his or her luggage is the dominant contribution to the time needed to completely fill the aircraft. The optimal boarding strategy may reduce the time required to board and airplane by over a factor of four and possibly more depending upon the dimensions of the aircraft. I explore some features of the optimal boarding method and discuss practical modifications to the optimal. Finally, I mention some of the benefits that could come from implementing an improved passenger boarding scheme.
A successful boron neutron capture treatment (BNCT) of a patient with multiple liver metastases has been first given in Italy, by placing the removed organ into the thermal neutron column of the Triga research reactor of the University of Pavia. In Finland, FiR 1 Triga reactor with an epithermal neutron beam well suited for BNCT has been extensively used to irradiate patients with brain tumors such as glioblastoma and recently also head and neck tumors. In this work we have studied by MCNP Monte Carlo simulations, whether it would be beneficial to treat an isolated liver with epithermal neutrons instead of thermal ones. The results show, that the epithermal field penetrates deeper into the liver and creates a build-up distribution of the boron dose. Our results strongly encourage further studying of irradiation arrangement of an isolated liver with epithermal neutron fields.
Purpose - Burr distribution has been proved to be a useful failure model. It can assume different shapes which allow it to be a good fit for various lifetimes data. Hybrid censoring is an important way of generating lifetimes data. The purpose of this paper is to estimate an unknown parameter of the Burr type XII distribution when data are hybrid censored. Design/methodology/approach - The problem is dealt with through both the classical and Bayesian point of view. Specifically, the methods of estimation used to tackle the problem are maximum likelihood estimation method and Bayesian method. Empirical Bayesian approach is also considered. The performance of all estimates is compared through their mean square error values. The paper employs Monte Carlo simulation to evaluate the mean square...
Dissociative electron capture to CCl_4 is studied by measuring the angular and velocity distribution of Cl"- ions produced in collisions with velocity selected K(np) Rydberg atoms. Analysis of the data using a Monte Carlo collision code that models the detailed kinematics of the reaction indicates that the lifetime of the CCl_4"- intermediate formed by Rydberg electron capture is 7.5 #+-# 2.5 ps and that, upon dissociation, only a small fraction of the excess energy of reaction appears as translational energy of the Cl"- and CCl_3 fragments. The present approach is one of the few experimental techniques yet devised that can probe the lifetimes of collisionally-produced excited states on a picosecond timescale, and demonstrates that Rydberg atoms provide a unique tool with which to investigate the dynamics of dissociative electron attachment. Measurements are being extended to additional species, including CFCl_3.
Most active pharmaceutical ingredients (API) exhibit particle size distributions with some degrees of asymmetry deviating from log-normality. A new log-skew-normal (L-S-N) distribution model is proposed for a systematic comparison of the asymmetry effect on content uniformity. The new model originated from the S-N model used by Azzalini gives a close approximation to real API particle size distribution. Monte-Carlo method was employed to simulate the dosage potency distribution. A high risk of over potency is uncovered when either the dose is low or API particle size distribution is positively skewed. This is due to the formation of pseudo heavy tail in potency distribution that decays slower than exponentially. Nomographs of API particle size versus dosage strength were constructed with a...