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Sample records for calculating kinetics parameters

  1. Kinetic parameters evaluation of PWRs using static cell and core calculation codes

    International Nuclear Information System (INIS)

    Jahanbin, Ali; Malmir, Hessam

    2012-01-01

    Highlights: ► In this study, we have calculated effective delayed neutron fraction and prompt neutron lifetime in PWRs. ► New software has been developed to link the WIMS, BORGES and CITATION codes in Visual C computer programming language. ► This software is used for calculation of the kinetic parameters in a typical VVER-1000 and NOK Beznau reactor. ► The ratios ((β eff ) i )/((β eff ) core ) , which are the important input data for the reactivity accident analysis, are also calculated. - Abstract: In this paper, evaluation of the kinetic parameters (effective delayed neutron fraction and prompt neutron lifetime) in PWRs, using static cell and core calculation codes, is reported. A new software has been developed to link the WIMS, BORGES and CITATION codes in Visual C computer programming language. Using the WIMS cell calculation code, multigroup microscopic cross-sections and number densities of different materials can be generated in a binary file. By the use of BORGES code, these binary-form cross-sections and number densities are converted to a format readable by the CITATION core calculation code, by which the kinetic parameters can be finally obtained. This software is used for calculation of the kinetic parameters in a typical VVER-1000 and NOK Beznau reactor. The ratios ((β eff ) i )/((β eff ) core ) , which are the important input data for the reactivity accident analysis, are also calculated. Benchmarking of the results against the final safety analysis report (FSAR) of the aforementioned reactors shows very good agreements with these published documents.

  2. Calculation of statistic estimates of kinetic parameters from substrate uncompetitive inhibition equation using the median method

    Directory of Open Access Journals (Sweden)

    Pedro L. Valencia

    2017-04-01

    Full Text Available We provide initial rate data from enzymatic reaction experiments and tis processing to estimate the kinetic parameters from the substrate uncompetitive inhibition equation using the median method published by Eisenthal and Cornish-Bowden (Cornish-Bowden and Eisenthal, 1974; Eisenthal and Cornish-Bowden, 1974. The method was denominated the direct linear plot and consists in the calculation of the median from a dataset of kinetic parameters Vmax and Km from the Michaelis–Menten equation. In this opportunity we present the procedure to applicate the direct linear plot to the substrate uncompetitive inhibition equation; a three-parameter equation. The median method is characterized for its robustness and its insensibility to outlier. The calculations are presented in an Excel datasheet and a computational algorithm was developed in the free software Python. The kinetic parameters of the substrate uncompetitive inhibition equation Vmax, Km and Ks were calculated using three experimental points from the dataset formed by 13 experimental points. All the 286 combinations were calculated. The dataset of kinetic parameters resulting from this combinatorial was used to calculate the median which corresponds to the statistic estimator of the real kinetic parameters. A comparative statistical analyses between the median method and the least squares was published in Valencia et al. [3].

  3. Estimation of Adjoint-Weighted Kinetics Parameters in Monte Carlo Wieland Calculations

    International Nuclear Information System (INIS)

    Choi, Sung Hoon; Shim, Hyung Jin

    2013-01-01

    The effective delayed neutron fraction, β eff , and the prompt neutron generation time, Λ, in the point kinetics equation are weighted by the adjoint flux to improve the accuracy of the reactivity estimate. Recently the Monte Carlo (MC) kinetics parameter estimation methods by using the self-consistent adjoint flux calculated in the MC forward simulations have been developed and successfully applied for the research reactor analyses. However these adjoint estimation methods based on the cycle-by-cycle genealogical table require a huge memory size to store the pedigree hierarchy. In this paper, we present a new adjoint estimation in which the pedigree of a single history is utilized by applying the MC Wielandt method. The effectiveness of the new method is demonstrated in the kinetics parameter estimations for infinite homogeneous two-group problems and the Godiva critical facility

  4. Calculation of Kinetic Parameters of TRIGA Reactor

    International Nuclear Information System (INIS)

    Snoj, Luka; Kavcic, Andrej; Zerovnik, Gasper; Ravnik, Matjaz

    2008-01-01

    Modern Monte Carlo transport codes in combination of fast computer clusters enable very accurate calculations of the most important reactor kinetic parameters. Such are the effective delayed neutron fraction, β eff , and mean neutron generation time, Λ. We calculated the β eff and Λ for various realistic and hypothetical annular TRIGA Mark II cores with different types and amount of fuel. It can be observed that the effective delayed neutron fraction strongly depends on the number of fuel elements in the core or on the core size. E.g., for 12 wt. % uranium standard fuel with 20 % enrichment, β eff varies from 0.0080 for a small core (43 fuel rods) to 0.0075 for a full core (90 fuel rods). It is interesting to note that calculated value of β eff strongly depends also on the delayed neutron nuclear data set used in calculations. The prompt neutron life-time mainly depends on the amount (due to either content or enrichment) of 235 U in the fuel as it is approximately inversely proportional to the average absorption cross-section of the fuel. E.g., it varies from 28 μs for 30 wt. % uranium content fuelled core to 48 μs for 8.5 wt. % uranium content LEU fuelled core. The results are especially important for pulse mode operation and analysis of the pulses. (authors)

  5. A benchmark on the calculation of kinetic parameters based on reactivity effect experiments in the CROCUS reactor

    International Nuclear Information System (INIS)

    Paratte, J.M.; Frueh, R.; Kasemeyer, U.; Kalugin, M.A.; Timm, W.; Chawla, R.

    2006-01-01

    Measurements in the CROCUS reactor at EPFL, Lausanne, are reported for the critical water level and the inverse reactor period for several different sets of delayed supercritical conditions. The experimental configurations were also calculated by four different calculation methods. For each of the supercritical configurations, the absolute reactivity value has been determined in two different ways, viz.: (i) through direct comparison of the multiplication factor obtained employing a given calculation method with the corresponding value for the critical case (calculated reactivity: ρ calc ); (ii) by application of the inhour equation using the kinetic parameters obtained for the critical configuration and the measured inverse reactor period (measured reactivity: ρ meas ). The calculated multiplication factors for the reference critical configuration, as well as ρ calc for the supercritical cases, are found to be in good agreement. However, the values of ρ meas produced by two of the applied calculation methods differ appreciably from the corresponding ρ calc values, clearly indicating deficiencies in the kinetic parameters obtained from these methods

  6. A study of calculation methodology and experimental measurements of the kinetic parameters for source driven subcritical systems

    International Nuclear Information System (INIS)

    Lee, Seung Min

    2009-01-01

    This work presents a theoretical study of reactor kinetics focusing on the methodology of calculation and the experimental measurements of the so-called kinetic parameters. A comparison between the methodology based on the Dulla's formalism and the classical method is made. The objective is to exhibit the dependence of the parameters on subcriticality level and perturbation. Two different slab type systems were considered: thermal one and fast one, both with homogeneous media. One group diffusion model was used for the fast reactor, and for the thermal system, two groups diffusion model, considering, in both case, only one precursor's family. The solutions were obtained using the expansion method. Also, descriptions of the main experimental methods of measurements of the kinetic parameters are presented in order to put a question about the compatibility of these methods in subcritical region. (author)

  7. Reactivity and kinetic parameters determination in a multiplicative non-stationary system

    International Nuclear Information System (INIS)

    Minguez, E.

    1982-01-01

    A revision of several methods used for solving kinetic equations of a neutronic system is considered. Firstly, kinetic equations in general form are analized, before to revise more important aproximations: point-kinetic method; adiabatic; cuasistatic; eigenvalue equations; nodal, modal and systhesis methods; and variational principles for obtaining kinetic equations. Perturbation theory is used to obtain these parameters, with differents eigenvalue equations representatives of the parameter to be calculated. Also, experimental methods have been included in this work, because of importance the parameters can be measured, and related with those obtained by calculations. Finally, adjoint kinetic equations are resolved to obtain the importance function used in weighted reactivity and kinetic parameters determinations. (author)

  8. Calculation of kinetic parameters of Caliban metallic core experimental reactor from stochastic neutron measurements

    Energy Technology Data Exchange (ETDEWEB)

    Casoli, P.; Authier, N.; Baud, J. [Commissariat a l' energie Atomique, Centre de Valduc, 21120 Is-sur-Tille (France)

    2009-07-01

    Several experimental devices are operated by the Criticality and Neutron Science Research Department of the CEA Valduc Laboratory. One of these is the metallic core reactor Caliban. The knowledge of the fundamental kinetic parameters of the reactor is very useful, indeed necessary, to the operator. The purpose of this study was to develop and perform experiments allowing to determinate some of these parameters. The prompt neutron decay constant and particularly its value at criticality can be measured with reactor noise techniques such as the interval-distribution, the Feynman variance-to-mean, and the Rossi-{alpha} methods. By introducing the Nelson number, the effective delayed neutron fraction and the average neutron lifetime can also be calculated with the Rossi-{alpha} method. Subcritical, critical, and even supercritical experiments were performed. With the Rossi-{alpha} technique, it was found that the prompt neutron decay constant at criticality was (6.02*10{sup 5} {+-} 9%). Experiments also brought out the limitations of the used experimental parameters. (authors)

  9. Variational estimates of point-kinetics parameters

    International Nuclear Information System (INIS)

    Favorite, J.A.; Stacey, W.M. Jr.

    1995-01-01

    Variational estimates of the effect of flux shifts on the integral reactivity parameter of the point-kinetics equations and on regional power fractions were calculated for a variety of localized perturbations in two light water reactor (LWR) model problems representing a small, tightly coupled core and a large, loosely coupled core. For the small core, the flux shifts resulting from even relatively large localized reactivity changes (∼600 pcm) were small, and the standard point-kinetics approximation estimates of reactivity were in error by only ∼10% or less, while the variational estimates were accurate to within ∼1%. For the larger core, significant (>50%) flux shifts occurred in response to local perturbations, leading to errors of the same magnitude in the standard point-kinetics approximation of the reactivity worth. For positive reactivity, the error in the variational estimate of reactivity was only a few percent in the larger core, and the resulting transient power prediction was 1 to 2 orders of magnitude more accurate than with the standard point-kinetics approximation. For a large, local negative reactivity insertion resulting in a large flux shift, the accuracy of the variational estimate broke down. The variational estimate of the effect of flux shifts on reactivity in point-kinetics calculations of transients in LWR cores was found to generally result in greatly improved accuracy, relative to the standard point-kinetics approximation, the exception being for large negative reactivity insertions with large flux shifts in large, loosely coupled cores

  10. Alternative definitions of kinetic parameters for accelerator driven systems

    International Nuclear Information System (INIS)

    Talamo, Alberto; Gohar, Yousry; Dulla, Sandra; Ravetto, Piero

    2012-01-01

    Highlights: ► New definition of kinetic parameters for accelerator driven systems. ► Difference between effective and average delayed neutron fraction. ► Difference between effective and average prompt neutron lifetime. ► Effect of the neutron source (Cf, D–D, D–T) on k src . ► Effect of the (n, xn) reactions and source energy-angle distribution on k src . - Abstract: This study introduces a new formulation of kinetic parameters for accelerator driven systems and it is structured into two parts. The first part is dedicated to the classic definition of the kinetic parameters and compares different calculation methodologies. The second part considers a new definition of the kinetic parameters for subcritical assemblies, with particular emphasis on the delayed neutron fraction and the prompt neutron lifetime. This new definition takes into account neutrons from the external neutron source and (n, xn) reactions, which increase the fraction of prompt neutrons. The developed theoretical framework has been applied by Monte Carlo and deterministic calculations to the YALINA Thermal subcritical assembly located in Belarus. This facility can be driven by californium, deuterium–deuterium (D–D), or deuterium–tritium (D–T) external neutron sources. For the D–T neutron source, (n, xn) reactions must be taken into account in order to produce accurate results because the average energy of D–T source neutrons is 14.1 MeV, a value which is much higher than the threshold energy of the (n, 2n) cross section of uranium isotopes.

  11. Generation of a library of two-group diffusion and kinetics parameters for DYN3D

    International Nuclear Information System (INIS)

    Petkov, P.T.; Christoskov, I.D.; Kamenov, K.; Antov, A.

    2002-01-01

    A library of two-group diffusion and kinetics parameters has been generated for the neutron kinetics code DYN3D for analysis of reactivity initiated accidents for the WWER-440 reactors, based on the MAGRU approximation methodology for the diffusion and kinetics parameters. The accuracy of this methodology has been tested and the conclusion is that it is not adequate. A new approximation methodology, based on interpolation for the most widely varying parameters, i.e. the moderator temperature and density, and on approximation for all other independent parameters, is presented. The methodology of calculation of the kinetics parameters using primary data from ENDF-B/VI is described in detail (Authors)

  12. Comparison Of A Neutron Kinetics Parameter For A Polyethylene Moderated Highly Enriched Uranium System

    Energy Technology Data Exchange (ETDEWEB)

    McKenzie, IV, George Espy [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Goda, Joetta Marie [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Grove, Travis Justin [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Sanchez, Rene Gerardo [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2017-04-17

    This paper examines the comparison of MCNP® code’s capability to calculate kinetics parameters effectively for a thermal system containing highly enriched uranium (HEU). The Rossi-α parameter was chosen for this examination because it is relatively easy to measure as well as easy to calculate using MCNP®’s kopts card. The Rossi-α also incorporates many other parameters of interest in nuclear kinetics most of which are more difficult to precisely measure. The comparison looks at two different nuclear data libraries for comparison to the experimental data. These libraries are ENDF/BVI (.66c) and ENDF/BVII (.80c).

  13. The measurement and calculation of the kinetic parameter {beta}{sub eff}/{Lambda} of a small high-temperature like, critical system

    Energy Technology Data Exchange (ETDEWEB)

    Wallerbos, E.J.M.; Hoogenboom, J.E. [Interfaculty Reactor Inst., Delft Univ. of Technology, Delft (Netherlands)

    1998-01-01

    This paper demonstrates that it is well possible to determine the kinetic parameter {beta}{sub eff}/{Lambda} in a neutronically very slow system by means of noise measurements in the critical state. The advantages of this technique are that it can be conducted in a critical reactor directly, and that no special measurement equipment is needed. The comparison to calculated values for four configurations, which differ in the amount of moderation in the core region, shows a satisfactory agreement. (author)

  14. Point kinetics improvements to evaluate three-dimensional effects in transients calculation

    International Nuclear Information System (INIS)

    Castellotti, U.

    1987-01-01

    A calculation method, which considers the flux axial perturbations in the parameters related to the reactivity within a point kinetics model, is described. The method considered uses axial factors of consideration which act on the thermohydraulic variables included in the reactivity calculation. The PUMA three-dimensional code as reference model for the comparisons, is used. The limitations inherent to the reactivity balance of the point models used in the transients calculation, are given. (Author)

  15. Determination of the kinetic parameters of BeO using isothermal decay method

    International Nuclear Information System (INIS)

    Nieto, Juan Azorin; Vega, Claudia Azorin; Montalvo, Teodoro Rivera; Cabrera, Eugenio Torijano

    2016-01-01

    Most of the existing methods for obtaining the frequency factors make use of the trap depth (activation energy) making some assumptions about the order of the kinetics. This causes inconsistencies in the reported values of trapping parameters due that the values of the activation energy obtained by different methods differ appreciably among them. Then, it is necessary to use a method independent of the trap depth making use of the isothermal luminescence decay (ILD) method. The trapping parameters associated with the prominent glow peak of BeO (280 °C) are reported using ILD method. As a check, the trap parameters are also calculated by glow curve shape (Chen's) method after isolating the prominent glow peak by thermal cleaning technique. Our results show a very good agreement between the trapping parameters calculated by the two methods. ILD method was used for determining the trapping parameters of BeO. Results obtained applying this method are in good agreement with those obtained using other methods, except in the value of the frequency factor. - Highlights: • Kinetic parameters of BeO were determined. • Isothermal decay method was used. • Frecuency factor not agree with those obtained by other methods.

  16. Cell kinetic parameters of a solid mammary adenocarcinoma

    International Nuclear Information System (INIS)

    Porschen, R.; Feinendegen, L.E.

    1978-01-01

    Several cell kinetic parameters of the mammary adenocarcinoma EO 771 were evaluated by means of tumor volume measurements and of 125 I-UdR. The in-situ measured activity loss rate is disturbed by a slow elimination of labelled necrotic cells and by reutilization of 125 I-UdR. The restrictions of the I-UdR method are mentioned and the measured activity loss rates are compared with calculated volume loss rates. (orig./MG) [de

  17. Kinetic parameters for source driven systems

    International Nuclear Information System (INIS)

    Dulla, S.; Ravetto, P.; Carta, M.; D'Angelo, A.

    2006-01-01

    The definition of the characteristic kinetic parameters of a subcritical source-driven system constitutes an interesting problem in reactor physics with important consequences for practical applications. Consistent and physically meaningful values of the parameters allow to obtain accurate results from kinetic simulation tools and to correctly interpret kinetic experiments. For subcritical systems a preliminary problem arises for the adoption of a suitable weighting function to be used in the projection procedure to derive a point model. The present work illustrates a consistent factorization-projection procedure which leads to the definition of the kinetic parameters in a straightforward manner. The reactivity term is introduced coherently with the generalized perturbation theory applied to the source multiplication factor ks, which is thus given a physical role in the kinetic model. The effective prompt lifetime is introduced on the assumption that a neutron generation can be initiated by both the fission process and the source emission. Results are presented for simplified configurations to fully comprehend the physical features and for a more complicated highly decoupled system treated in transport theory. (authors)

  18. Determination of the temperature coefficients and the kinetic parameters for the HTTR safety analysis

    International Nuclear Information System (INIS)

    Tokuhara, K.; Nakata, T.; Murata, I.; Yamashita, K.; Shindo, R.

    1991-01-01

    This report describes the calculational methods which were employed to determine the temperature coefficients and the kinetic parameters for the safety analysis in the HTTR (High Temperature Engineering Test Reactor). The temperature coefficients (doppler, moderator temperature) and the kinetic parameters (prompt neutron life time; l, effective delayed neutron fraction; β eff) are important for the point model core dynamic analysis and should be evaluated properly. The temperature coefficients were calculated by the whole core model. Doppler coefficient was evaluated under the conditions of all control rods withdrawn and the uniform change of fuel temperature. The minimum and the maximum value of the evaluated doppler coefficients in a burnup cycle are -4.6x10 -5 and -1.5x10 -5 ΔK/K/deg. C respectively. The moderator temperature coefficient was evaluated under the conditions of all control rods withdrawn and the uniform change of moderator temperature. The minimum and the maximum value of the evaluated moderator temperature coefficients in a burnup cycle are -17.1x10 -5 and 0.99x10 -5 ΔK/K/deg. C respectively. In spite of positive moderator temperature coefficient, the power coefficient is always negative. Therefore the HTTR possesses inherent power-suppressing feed back characteristic in all operating condition. We surveyed the effects of the Xe existence, the control rods existence, the fuel temperature and the region in which the temperature was changed on the moderator temperature coefficients. The kinetic parameters were calculated by the perturbation method with the whole core model. The minimum and the maximum value of the evaluated effective delayed neutron fraction (β eff) are 0.0047 and 0.0065 respectively. These of the evaluated prompt neutron life time (l) are 0.67 and 0.78 ms respectively. We have surveyed the effects of the fuel depletion and the core power level on these parameters, and considered these effects on the kinetic parameters. From

  19. Study of the kinetics parameters for subcritical media driven by source

    International Nuclear Information System (INIS)

    Lee, S.M.; Maiorino, J.R.

    2009-01-01

    This paper presents a theoretical study of reactor kinetics focusing on the methodology of calculation and the experimental measurements of the so-called kinetic parameters. A comparison between the methodology based on the Dulla's formalism and the classical method is made. The objective is to exhibit the dependence of the parameters on sub criticality level and perturbation. Two different slab type systems were considered: thermal one and fast one, both with homogeneous media. One group diffusion model was used for the fast reactor, and for the thermal system, two group diffusion model, considering, in both case only one precursor's family. For reason of simplicity, several additional assumptions were made for calculation of two group method: no up-scattering, fission reaction occurring only in thermal group, etc. The solutions for subcritical systems were obtained using the expansion method, and for critical systems, the methods presented in classical textbooks of reactor physics were applied. The numerical results presented their dependence on sub criticality level and perturbation. (author)

  20. Kinetic parameters and TL mechanism in cadmium tetra borate phosphor

    International Nuclear Information System (INIS)

    Annalakshmi, O.; Jose, M.T.; Sridevi, J.; Venkatraman, B.; Amarendra, G.; Mandal, A.B.

    2014-01-01

    Polycrystalline powder samples of cadmium tetra borate were synthesized by a simple solid state sintering technique and gamma irradiated sample showed a simple Thermoluminescence (TL) glow peak around 460 K. The TL kinetic parameters of gamma irradiated phosphor were determined by initial rise (IR), isothermal decay (ID), peak shape (PS), variable heating rate (VHR) and glow curve de-convolution method. The kinetic parameters such as activation energy (E), frequency factor (s) and order of kinetics (b) were calculated by IR, ID, PS and VHR methods are in the order of ∼1.05 eV, 10 9 –10 12 s −1 and 1.58, respectively. From the results of TL and PL emission studies carried out on the phosphor revealed that the defect centers related to TL is different from that for PL. EPR measurements were carried out to identify the defect centers formed in cadmium tetra borate phosphor on gamma irradiation. Based on EPR studies the mechanism for TL process in cadmium tetra borate is proposed in this paper -- Highlights: • Polycrystalline powder samples of undoped cadmium tetra borate synthesized. • Cadmium tetra borate phosphor exhibits a dosimetric peak at 458 K. • Kinetic parameters of the trap responsible for TL evaluated. • TL mechanism is proposed from TL to EPR correlation studies

  1. Kinetic parameters and TL mechanism in cadmium tetra borate phosphor

    Energy Technology Data Exchange (ETDEWEB)

    Annalakshmi, O. [Radiological Safety Division, Materials Physics Division, Indira Gandhi Centre for Atomic Research, Kalpakkam-603102 (India); Jose, M.T., E-mail: mtj@igcar.gov.in [Radiological Safety Division, Materials Physics Division, Indira Gandhi Centre for Atomic Research, Kalpakkam-603102 (India); Sridevi, J. [Central Leather Research Institute, Council of Scientific and Industrial Research, Chennai 600 020, Tamilnadhu (India); Venkatraman, B. [Radiological Safety Division, Materials Physics Division, Indira Gandhi Centre for Atomic Research, Kalpakkam-603102 (India); Amarendra, G. [Materials Physics Division, Indira Gandhi Centre for Atomic Research, Kalpakkam-603102 (India); Mandal, A.B. [Central Leather Research Institute, Council of Scientific and Industrial Research, Chennai 600 020, Tamilnadhu (India)

    2014-03-15

    Polycrystalline powder samples of cadmium tetra borate were synthesized by a simple solid state sintering technique and gamma irradiated sample showed a simple Thermoluminescence (TL) glow peak around 460 K. The TL kinetic parameters of gamma irradiated phosphor were determined by initial rise (IR), isothermal decay (ID), peak shape (PS), variable heating rate (VHR) and glow curve de-convolution method. The kinetic parameters such as activation energy (E), frequency factor (s) and order of kinetics (b) were calculated by IR, ID, PS and VHR methods are in the order of ∼1.05 eV, 10{sup 9}–10{sup 12} s{sup −1} and 1.58, respectively. From the results of TL and PL emission studies carried out on the phosphor revealed that the defect centers related to TL is different from that for PL. EPR measurements were carried out to identify the defect centers formed in cadmium tetra borate phosphor on gamma irradiation. Based on EPR studies the mechanism for TL process in cadmium tetra borate is proposed in this paper -- Highlights: • Polycrystalline powder samples of undoped cadmium tetra borate synthesized. • Cadmium tetra borate phosphor exhibits a dosimetric peak at 458 K. • Kinetic parameters of the trap responsible for TL evaluated. • TL mechanism is proposed from TL to EPR correlation studies.

  2. Evaluation of energy collapsing effect on reactor kinetics parameters by diffusion theory

    International Nuclear Information System (INIS)

    Unesaki, Hironobu

    1989-01-01

    Reactor kinetics parameters play an important role as scaling factors between observed and calculated reactivities in the analysis of reactor physics experiments. In this report, energy collapsing errors in two kinetic parameters, the effective delayed neutron fraction and the neutron life time, are investigated by means of the diffusion theory. Coarse group calculations are made for various energy group structures. Cores of various moderator-to-fuel volume ratios are selected to investigate the influence of neutron spectrum changes on the energy collapsing error. The energy collapsing errors in the effective delayed neutron fraction and neutron life time are much larger than those in k eff . This might be because the former two parameters are functions of both the foward and adjoint flux, whereas the latter is a function of the forward flux alone. The use of coarse constants will cause errors in both fluxes, and the resulting errors in the former will be much more emphasized. As the effective delayed neutron fraction is sensitive to the treatment of an energy region in the vicinity of the fission spectrum peak, the coarse group error in it might differ between cores with different enrichment and composition. Inaccurate weighting of group constants leads to neutron spectra which do not conserve the fine group spectra, and those errors will be emphasized in calculated integral parameters. (N.K.)

  3. Verification of kinetic parameters of coupled fast-thermal core HERBE

    International Nuclear Information System (INIS)

    Pesic, M.; Marinkovic, P.; Milosevic, M.; Nikolic, D.; Zavaljevski, N.; Milovanovic, S.; Ljubenov, V.

    1997-03-01

    The HERBE system is a new coupled fast-thermal core constructed in 1989 at the RB critical heavy water assembly at the VINCA Institute. It was designed with the aim to improve experimental possibilities in fast neutron fields and for experimental verification of reactor design-oriented methods. This paper overviews experiments for kinetic parameters verification carried out at HERBE system. Their short description and comparison of experimental and calculation results are included. A brief introduction to the computer codes used in the calculations is presented too. (author)

  4. Some parameters of radionuclide kinetics

    International Nuclear Information System (INIS)

    Prokof'ev, O.N.; Smirnov, V.A.; Belen'kij, E.I.

    1978-01-01

    Numerical values of the rates of radionuclide absorption into, and elimination from, bovine organs were determined. Kinetic rate constants of radionuclides such as 89 Sr, 99 Mo, 131 I, 132 Tl, and 140 Be were calculated. The calculations were done for muscle, liver, and kidney

  5. Kinetic parameters from thermogravimetric analysis

    Science.gov (United States)

    Kiefer, Richard L.

    1993-01-01

    High performance polymeric materials are finding increased use in aerospace applications. Proposed high speed aircraft will require materials to withstand high temperatures in an oxidative atmosphere for long periods of time. It is essential that accurate estimates be made of the performance of these materials at the given conditions of temperature and time. Temperatures of 350 F (177 C) and times of 60,000 to 100,000 hours are anticipated. In order to survey a large number of high performance polymeric materials on a reasonable time scale, some form of accelerated testing must be performed. A knowledge of the rate of a process can be used to predict the lifetime of that process. Thermogravimetric analysis (TGA) has frequently been used to determine kinetic information for degradation reactions in polymeric materials. Flynn and Wall studied a number of methods for using TGA experiments to determine kinetic information in polymer reactions. Kinetic parameters, such as the apparent activation energy and the frequency factor, can be determined in such experiments. Recently, researchers at the McDonnell Douglas Research Laboratory suggested that a graph of the logarithm of the frequency factor against the apparent activation energy can be used to predict long-term thermo-oxidative stability for polymeric materials. Such a graph has been called a kinetic map. In this study, thermogravimetric analyses were performed in air to study the thermo-oxidative degradation of several high performance polymers and to plot their kinetic parameters on a kinetic map.

  6. Thermoluminescence kinetic parameters of different amount La-doped ZnB2O4

    International Nuclear Information System (INIS)

    Kucuk, Nil; Gozel, Aziz Halit; Yüksel, Mehmet; Dogan, Tamer; Topaksu, Mustafa

    2015-01-01

    The kinetic parameters of 1%, 2%, 3% and 4% La-doped ZnB 2 O 4 phosphors (i.e. ZnB 2 O 4 :0.01La, ZnB 2 O 4 :0.02La, ZnB 2 O 4 :0.03La and ZnB 2 O 4 :0.04La) synthesized by nitric acid method have been calculated. Thermoluminescence (TL) glow curves of ZnB 2 O 4 :La phosphors after beta-irradiation showed a very well defined main peak having the maximum temperature at around 200 °C and a shoulder peak at around 315 °C with a constant heating rate of 5 °C/s. The kinetic parameters of ZnB 2 O 4 :La phosphors TL glow peaks (i.e. order of kinetics (b), activation energies (E a ) and frequency factors (s)) have been determined and evaluated by Computerized Glow Curve Deconvolution (CGCD), and Peak Shape (PS) methods using the glow curve data. From the results, it can conclude that the values of E a obtained with these methods for ZnB 2 O 4 :La phosphors are consistent with each other, but the s values differ considerably. - Highlights: • Calculation of TL kinetic parameters for La-doped ZnB 2 O 4 . • La-doped ZnB 2 O 4 was synthesized by nitric acid method. • Well defined main peak at about 200 °C

  7. Development of neutronic models for the thermal hydraulics coupling of the MSFR and the calculation of effective kinetic parameters

    International Nuclear Information System (INIS)

    Laureau, Axel

    2015-01-01

    In this PhD thesis, we describe the development of innovative neutronic models for their coupling with thermal hydraulics such that they combine precision and reasonable computational times. One of the main cases where this method is applied is the Molten Salt Fast Reactor (MSFR) whose combines a fast neutron spectrum with a thorium cycle. In this fourth generation reactor, the motion of the delayed neutron precursors and the associated phenomena have to be taken into account due to the liquid fuel circulation. The starting point for these developments was the preliminary design of this type of system where a dedicated multi-physical representation was needed to study the reactor performance in steady and transient conditions. As a first step, a stationary coupling was developed. A neutronic model based on a stochastic approach was associated to a CFD (Computational Fluid Dynamics) code to solve the Navier Stokes equations for turbulent flows and the transport of the delayed neutron precursors. The impact of this precursor motion is taken into account by reconstructing the prompt shower that they generate. This approach, called by shower, views the critical reactor as a prompt subcritical reactor that amplifies a source of delayed neutrons. A second step consisted in developing a neutronic model based on a time dependent version of the fission matrices (Transient Fission Matrix or TFM) so as to enable reactor transient studies. With the TFM model, an initial computation of the matrices with a stochastic code (MCNP, SERPENT) allows the characterization of the global spatial and time dependent neutronic response of the reactor with a precision close to that of a Monte Carlo calculation. The information thus obtained is then used to calculate transients, while retaining the advantage of reduced computational time. The TFM model, which can be used for various system concepts, also allows the evaluation of effective kinetic parameters such as the effective fraction of

  8. Kinetic parameter estimation from attenuated SPECT projection measurements

    International Nuclear Information System (INIS)

    Reutter, B.W.; Gullberg, G.T.

    1998-01-01

    Conventional analysis of dynamically acquired nuclear medicine data involves fitting kinetic models to time-activity curves generated from regions of interest defined on a temporal sequence of reconstructed images. However, images reconstructed from the inconsistent projections of a time-varying distribution of radiopharmaceutical acquired by a rotating SPECT system can contain artifacts that lead to biases in the estimated kinetic parameters. To overcome this problem the authors investigated the estimation of kinetic parameters directly from projection data by modeling the data acquisition process. To accomplish this it was necessary to parametrize the spatial and temporal distribution of the radiopharmaceutical within the SPECT field of view. In a simulated transverse slice, kinetic parameters were estimated for simple one compartment models for three myocardial regions of interest, as well as for the liver. Myocardial uptake and washout parameters estimated by conventional analysis of noiseless simulated data had biases ranging between 1--63%. Parameters estimated directly from the noiseless projection data were unbiased as expected, since the model used for fitting was faithful to the simulation. Predicted uncertainties (standard deviations) of the parameters obtained for 500,000 detected events ranged between 2--31% for the myocardial uptake parameters and 2--23% for the myocardial washout parameters

  9. Experimental kinetic parameters in the thermo-fluid-dynamic modelling of coal combustion

    International Nuclear Information System (INIS)

    Migliavacca, G.; Perini, M.; Parodi, E.

    2001-01-01

    The designing and the optimisation of modern and efficient combustion systems are nowadays frequently based on calculation tools for mathematical modelling, which are able to predict the evolution of the process starting from the first principles of physics. Otherwise, in many cases, specific experimental parameters are needed to describe the specific nature of the materials considered in the calculations. It is especially true in the modelling of coal combustion, which is a complex process strongly dependent on the chemical and physical features of the fuel. This paper describes some experimental techniques used to estimate the fundamental kinetic parameters of coal combustion and shows how this data may be introduced in a model calculation to predict the pollutant emissions from a real scale combustion plant [it

  10. Analysis of Kinetic Parameter Effect on Reactor Operation Stability of the RSG-GAS Reactor

    International Nuclear Information System (INIS)

    Rokhmadi

    2007-01-01

    Kinetic parameter has influence to behaviour on RSG-GAS reactor operation. In this paper done is the calculation of reactivity curve, period-reactivity relation and low power transfer function in silicide fuel. This parameters is necessary and useful for reactivity characteristic analysis and reactor stability. To know the reactivity response, it was done reactivity insertion at power 1 watt using POKDYN code because at this level of power no feedback reactivity so important for reactor operation safety. The result of calculation showed that there is no change of significant a period-reactivity relation and transfer function at low power for 2.96 gU/cc, 3.55 gU/cc and 4.8 gU/cc density of silicide fuels. The result of the transfer function at low power showed that the reactor is critical stability with no feedback. The result of calculation also showed that reactivity response no change among three kinds of fuel densities. It can be concluded that from kinetic parameter point of view period-reactivity relation, transfer function at low power, and reactivity response are no change reactor operation from reactivity effect when fuel exchanged. (author)

  11. Reactor thermal behaviors under kinetics parameters variations in fast reactivity insertion

    Energy Technology Data Exchange (ETDEWEB)

    Abou-El-Maaty, Talal [Reactors Department, Atomic Energy Authority, Cairo 13759 (Egypt)], E-mail: talal22969@yahoo.com; Abdelhady, Amr [Reactors Department, Atomic Energy Authority, Cairo 13759 (Egypt)

    2009-03-15

    The influences of variations in some of the kinetics parameters affecting the reactivity insertion are considered in this study, it has been accomplished in order to acquire knowledge about the role that kinetic parameters play in prompt critical transients from the safety point of view. The kinetics parameters variations are limited to the effective delayed neutron fraction ({beta}{sub eff}) and the prompt neutron generation time ({lambda}). The reactor thermal behaviors under the variations in effective delayed neutron fraction and prompt neutron generation time included, the reactor power, maximum fuel temperature, maximum clad temperature, maximum coolant temperature and the mass flux variations at the hot channel. The analysis is done for a typical swimming pool, plate type research reactor with low enriched uranium. The scram system is disabled during the accidents simulations. Calculations were done using PARET code. As a result of simulations, it is concluded that, the reactor (ETRR2) thermal behavior is considerably more sensitive to the variation in the effective delayed neutron fraction than to the variation in prompt neutron generation time and the fast reactivity insertion in both cases causes a flow expansion and contraction at the hot channel exit. The amplitude of the oscillated flow is a qualitatively increases with the decrease in both {beta}{sub eff} and {lambda}.

  12. The importance of variables and parameters in radiolytic chemical kinetics modeling

    International Nuclear Information System (INIS)

    Piepho, M.G.; Turner, P.J.; Reimus, P.W.

    1989-01-01

    Many of the pertinent radiochemical reactions are not completely understood, and most of the associated rate constants are poorly characterized. To help identify the important radiochemical reactions, rate constants, species, and environmental conditions, an importance theory code, SWATS (Sensitivitiy With Adjoint Theory-Sparse version)-LOOPCHEM, has been developed for the radiolytic chemical kinetics model in the radiolysis code LOOPCHEM. The LOOPCHEM code calculates the concentrations of various species in a radiolytic field over time. The SWATS-LOOPCHEM code efficiently calculates: the importance (relative to a defined response of interest) of each species concentration over time, the sensitivity of each parameter of interest, and the importance of each equation in the radiolysis model. The calculated results will be used to guide future experimental and modeling work for determining the importance of radiolysis on waste package performance. A demonstration (the importance of selected concentrations and the sensitivities of selected parameters) of the SWATS-LOOPCHEM code is provided for illustrative purposes

  13. Effect of lattice-level adjoint-weighting on the kinetics parameters of CANDU reactors

    International Nuclear Information System (INIS)

    Nichita, Eleodor

    2009-01-01

    Space-time kinetics calculations for CANDU reactors are routinely performed using the Improved Quasistatic (IQS) method. The IQS method calculates kinetics parameters such as the effective delayed-neutron fraction and generation time using adjoint weighting. In the current implementation of IQS, the direct flux, as well as the adjoint, is calculated using a two-group cell-homogenized reactor model which is inadequate for capturing the effect of the softer energy spectrum of the delayed neutrons. Additionally, there may also be fine spatial effects that are lost because the intra-cell adjoint shape is ignored. The purpose of this work is to compare the kinetics parameters calculated using the two-group cell-homogenized model with those calculated using lattice-level fine-group heterogeneous adjoint weighting and to assess whether the differences are large enough to justify further work on incorporating lattice-level adjoint weighting into the IQS method. A second goal is to evaluate whether the use of a fine-group cell-homogenized lattice-level adjoint, such as is the current practice for Light Water Reactors (LWRs), is sufficient to capture the lattice effects in question. It is found that, for CANDU lattices, the generation time is almost unaffected by the type of adjoint used to calculate it, but that the effective delayed-neutron fraction is affected by the type of adjoint used. The effective delayed-neutron fraction calculated using the two-group cell-homogenized adjoint is 5.2% higher than the 'best' effective delayed-neutron fraction value obtained using the detailed lattice-level fine-group heterogeneous adjoint. The effective delayed-neutron fraction calculated using the fine-group cell-homogenized adjoint is only 1.7% higher than the 'best' effective delayed-neutron fraction value but is still not equal to it. This situation is different from that encountered in LWRs where weighting by a fine-group cell-homogenized adjoint is sufficient to calculate the

  14. Determination of kinetic parameters in the pyrolysis operation and thermal behavior of Prosopis juliflora using thermogravimetric analysis.

    Science.gov (United States)

    Chandrasekaran, Arunkumar; Ramachandran, Sethumadhavan; Subbiah, Senthilmurugan

    2017-06-01

    This paper deals with the pyrolysis of Prosopis juliflora fuelwood using thermogravimetric analysis to determine the kinetic parameters at six different heating rates of 2, 5, 10, 15, 20 and 25°C/min. The activation energy of pyrolysis was calculated using different methods, namely Kissinger, Kissinger-Akahira-Sunose, Ozawa-Flynn-Wall and Friedman model and corresponding calculated activation energy were found to be 164.6, 204, 203.2, and 219.3kJ/mol, respectively for each method. The three-pseudo component model was applied to calculate the following three kinetic parameters: activation energy, pre-exponential factor and order of reaction. The experimental results were validated with model prediction for all the six heating rates. The three-pseudo component model is able to predict experimental results much accurately while considering variable order reaction model (n≠1). Copyright © 2017 Elsevier Ltd. All rights reserved.

  15. Determination of the kinetic parameters of Be O using isothermal decay method

    Energy Technology Data Exchange (ETDEWEB)

    Azorin N, J.; Torijano C, E. [Universidad Autonoma Metropolitana, Unidad Iztapalapa, Av. San Rafael Atlixco 186, Col. Vicentina, 09340 Mexico D. F. (Mexico); Azorin V, C.; Rivera M, T., E-mail: azorin@xanum.uam.mx [IPN, Centro de Investigacion en Ciencia Aplicada y Tecnologia Avanzada, Av. Legaria 694, Col. Irrigacion, 11500 Mexico D. F. (Mexico)

    2015-10-15

    Full text: Most of the existing methods for obtaining the frequency factors make use of the trap depth (activation energy) making some assumptions about the order of the kinetics. This causes inconsistencies in the reported values of trapping parameters due that the values of the activation energy obtained by different methods differ appreciably among them. Then, it is necessary to use a method independent of the trap depth making use of the isothermal luminescence decay method. The trapping parameters associated with the prominent glow peak of Be O (280 degrees C) are reported using isothermal luminescence decay method. As a check, the trap parameters are also calculated by glow curve shape (Chen s) method after isolating the prominent glow peak by thermal cleaning technique. Our results show a very good agreement between the trapping parameters calculated by the two methods. Isothermal luminescence decay method was used for determining the trapping parameters of Be O. Results obtained applying this method are in good agreement with those obtained using other methods, except in the value of the frequency factor. (Author)

  16. Thermoluminescent kinetic parameters of the perovskite, KMgF3, activated with lanthanum

    International Nuclear Information System (INIS)

    Sepulveda M, F.; Azorin N, J.; Rivera M, T.; Furetta, C.; Sanipoli, C.

    2004-01-01

    The thermoluminescent curves induced by the beta radiation in the perovskite KMgF 3 were investigated activated with lanthanum. The classic methods were used to determine the kinetic parameters (the kinetic order b, the activation energy E and the frequency of escape intent s) associated with the peaks of the thermoluminescent curve (Tl) in the KMgF 3 activated with lanthanum after the irradiation with beta rays. The method is based on the position of the thermoluminescent peaks, obtained of the temperature change of the peak in the maximum emission caused by the change in the heating rapidity to which the samples were measured. In this work, the samples in form of pellets were re cooked previously at 400 C during one hour before irradiating them with beta particles. The Tl measures were made with a Tl reader system using three different heating rapidities and storing the glow curves. To calculate the depth of the E traps and the frequency factor s, the parameters of the glow curve were determined experimentally of the shame of the glow curve by means of the mensuration of the shame of the maximum temperature of the peak, T M like a function of the heating rapidity. The results indicate that the values of the kinetic parameters are very near among if when they are obtained indistinctly of anyone of the different methods. (Author)

  17. Modified mean generation time parameter in the neutron point kinetics equations

    Energy Technology Data Exchange (ETDEWEB)

    Diniz, Rodrigo C.; Gonçalves, Alessandro C.; Rosa, Felipe S.S., E-mail: alessandro@nuclear.ufrj.br, E-mail: frosa@if.ufrj.br [Coordenacao de Pos-Graduacao e Pesquisa de Engenharia (PEN/COPPE/UFRJ), Rio de Janeiro, RJ (Brazil)

    2017-07-01

    This paper proposes an approximation for the modified point kinetics equations proposed by NUNES et. al, 2015, through the adjustment of a kinetic parameter. This approximation consists of analyzing the terms of the modified point kinetics equations in order to identify the least important ones for the solution, resulting in a modification of the mean generation time parameter that incorporates all influences of the additional terms of the modified kinetics. This approximation is applied on the inverse kinetics, to compare the results with the inverse kinetics from the modified kinetics in order to validate the proposed model. (author)

  18. Modified mean generation time parameter in the neutron point kinetics equations

    International Nuclear Information System (INIS)

    Diniz, Rodrigo C.; Gonçalves, Alessandro C.; Rosa, Felipe S.S.

    2017-01-01

    This paper proposes an approximation for the modified point kinetics equations proposed by NUNES et. al, 2015, through the adjustment of a kinetic parameter. This approximation consists of analyzing the terms of the modified point kinetics equations in order to identify the least important ones for the solution, resulting in a modification of the mean generation time parameter that incorporates all influences of the additional terms of the modified kinetics. This approximation is applied on the inverse kinetics, to compare the results with the inverse kinetics from the modified kinetics in order to validate the proposed model. (author)

  19. Using the computerized glow curve deconvolution method and the R package tgcd to determination of thermoluminescence kinetic parameters of chilli powder samples by GOK model and OTOR one

    Energy Technology Data Exchange (ETDEWEB)

    Sang, Nguyen Duy, E-mail: ndsang@ctu.edu.vn [College of Rural Development, Can Tho University, Can Tho 270000 (Viet Nam); Faculty of Physics and Engineering Physics, University of Science, Ho Chi Minh 700000 (Viet Nam); Van Hung, Nguyen [Nuclear Research Institute, VAEI, Dalat 670000 (Viet Nam); Van Hung, Tran; Hien, Nguyen Quoc [Research and Development Center for Radiation Technology, VAEI, Ho Chi Minh 700000 (Viet Nam)

    2017-03-01

    Highlights: • TL analysis aims to calculate the kinetic parameters of the chilli powder. • There is difference of the kinetic parameters caused by the difference of radiation doses. • There is difference of the kinetic parameters due to applying GOK model or OTOR one. • The software R is apllied for the first time in TL glow curve analysis of the chilli powder. - Abstract: The kinetic parameters of thermoluminescence (TL) glow peaks of chilli powder irradiated by gamma rays with the different doses of 0, 4 and 8 kGy have been calculated and estimate by computerized glow curve deconvolution (CGCD) method and the R package tgcd by using the TL glow curve data. The kinetic parameters of TL glow peaks (i.e. activation energies (E), order of kinetics (b), trapping and recombination probability coefficients (R) and frequency factors (s)) are fitted by modeled general-orders of kinetics (GOK) and one trap-one recombination (OTOR). The kinetic parameters of the chilli powder are different toward the difference of the sample time-storage, radiation doses, GOK model and OTOR one. The samples spending the shorter period of storage time have the smaller the kinetic parameters values than the samples spending the longer period of storage. The results obtained as comparing the kinetic parameters values of the three samples show that the value of non-irradiated samples are lowest whereas the 4 kGy irradiated-samples’ value are greater than the 8 kGy irradiated-samples’ one time.

  20. Calculation of fundamental parameters for the dynamical study of TRIGA-3-Salazar reactor (Mixed reactor core)

    International Nuclear Information System (INIS)

    Viais J, J.

    1994-01-01

    Kinetic parameters for dynamic study of two different configurations, 8 and 9, both with standard fuel, 20% enrichment and Flip (Fuel Life Improvement Program with 70% enrichment) fuel, for TRIGA Mark-III reactor from Mexico Nuclear Center, are obtained. A calculation method using both WIMS-D4 and DTF-IV and DAC1 was established, to decide which of those two configurations has the best safety and operational conditions. Validation of this methodology is done by calculate those parameters for a reactor core with new standard fuel. Configuration 9 is recommended to be use. (Author)

  1. Estimating the kinetic parameters of activated sludge storage using weighted non-linear least-squares and accelerating genetic algorithm.

    Science.gov (United States)

    Fang, Fang; Ni, Bing-Jie; Yu, Han-Qing

    2009-06-01

    In this study, weighted non-linear least-squares analysis and accelerating genetic algorithm are integrated to estimate the kinetic parameters of substrate consumption and storage product formation of activated sludge. A storage product formation equation is developed and used to construct the objective function for the determination of its production kinetics. The weighted least-squares analysis is employed to calculate the differences in the storage product concentration between the model predictions and the experimental data as the sum of squared weighted errors. The kinetic parameters for the substrate consumption and the storage product formation are estimated to be the maximum heterotrophic growth rate of 0.121/h, the yield coefficient of 0.44 mg CODX/mg CODS (COD, chemical oxygen demand) and the substrate half saturation constant of 16.9 mg/L, respectively, by minimizing the objective function using a real-coding-based accelerating genetic algorithm. Also, the fraction of substrate electrons diverted to the storage product formation is estimated to be 0.43 mg CODSTO/mg CODS. The validity of our approach is confirmed by the results of independent tests and the kinetic parameter values reported in literature, suggesting that this approach could be useful to evaluate the product formation kinetics of mixed cultures like activated sludge. More importantly, as this integrated approach could estimate the kinetic parameters rapidly and accurately, it could be applied to other biological processes.

  2. TP1 - A computer program for the calculation of reactivity and kinetic parameters by one-dimensional neutron transport perturbation theory

    International Nuclear Information System (INIS)

    Kobayashi, K.

    1979-03-01

    TP1, a FORTRAN-IV program based on transport theory, has been developed to determine reactivity effects and kinetic parameters such as effective delayed neutron fractions and mean generation time by applying the usual perturbation formalism for one-dimensional geometry. Direct and adjoint angular dependent neutron fluxes are read from an interface file prepared by using the one-dimensional Ssub(n)-code DTK which provides options for slab, cylindrical and spherical geometry. Multigroup cross sections which are equivalent to those of the DTK-calculations are supplied in the SIGM-block which is also read from an interface file. This block which is usually produced by the code GRUCAL should contain the necessary delayed neutron data, which can be added to the original SIGMN-block by using the code SIGMUT. Two perturbation options are included in TP1: a) the usual first oder perturbation theory can be applied to determine probe reactivities, b) assuming that there are available direct fluxes for the unperturbed reactor system and adjoint fluxes for the perturbed system, the exact reactivity effect induced by the perturbation can be determined by an exact perturbation calculation. According to the input specifications, the output lists the reactivity contributions for each neutron reaction process in the desired detailed spatial and energy group resolution. (orig./RW) [de

  3. AUS diffusion module POW checkout - 1- and 2-dimensional kinetics calculations

    International Nuclear Information System (INIS)

    Pollard, J.P.

    1977-01-01

    POW is the diffusion module 'workhorse' of the AUS reactor neutronics modular code system; its steady state calculations have been checked out against other diffusion codes (particularly CRAM and GOG). Checkout of kinetic aspects, however, is difficult as kinetic codes are not freely available. In this report POW has been checked against three benchmark calculations as well as a calculation on the 100 KW Argonaut reactor Moata. (author)

  4. Lumping procedure for a kinetic model of catalytic naphtha reforming

    Directory of Open Access Journals (Sweden)

    H. M. Arani

    2009-12-01

    Full Text Available A lumping procedure is developed for obtaining kinetic and thermodynamic parameters of catalytic naphtha reforming. All kinetic and deactivation parameters are estimated from industrial data and thermodynamic parameters are calculated from derived mathematical expressions. The proposed model contains 17 lumps that include the C6 to C8+ hydrocarbon range and 15 reaction pathways. Hougen-Watson Langmuir-Hinshelwood type reaction rate expressions are used for kinetic simulation of catalytic reactions. The kinetic parameters are benchmarked with several sets of plant data and estimated by the SQP optimization method. After calculation of deactivation and kinetic parameters, plant data are compared with model predictions and only minor deviations between experimental and calculated data are generally observed.

  5. Effects of correlated parameters and uncertainty in electronic-structure-based chemical kinetic modelling

    Science.gov (United States)

    Sutton, Jonathan E.; Guo, Wei; Katsoulakis, Markos A.; Vlachos, Dionisios G.

    2016-04-01

    Kinetic models based on first principles are becoming common place in heterogeneous catalysis because of their ability to interpret experimental data, identify the rate-controlling step, guide experiments and predict novel materials. To overcome the tremendous computational cost of estimating parameters of complex networks on metal catalysts, approximate quantum mechanical calculations are employed that render models potentially inaccurate. Here, by introducing correlative global sensitivity analysis and uncertainty quantification, we show that neglecting correlations in the energies of species and reactions can lead to an incorrect identification of influential parameters and key reaction intermediates and reactions. We rationalize why models often underpredict reaction rates and show that, despite the uncertainty being large, the method can, in conjunction with experimental data, identify influential missing reaction pathways and provide insights into the catalyst active site and the kinetic reliability of a model. The method is demonstrated in ethanol steam reforming for hydrogen production for fuel cells.

  6. Kinetic-energy functionals studied by surface calculations

    DEFF Research Database (Denmark)

    Vitos, Levente; Skriver, Hans Lomholt; Kollár, J.

    1998-01-01

    The self-consistent jellium model of metal surfaces is used to study the accuracy of a number of semilocal kinetic-energy functionals for independent particles. It is shown that the poor accuracy exhibited by the gradient expansion approximation and most of the semiempirical functionals in the lo...... density, high gradient limit may be subtantially improved by including locally a von Weizsacker term. Based on this, we propose a simple one-parameter Pade's approximation, which reproduces the exact Kohn-Sham surface kinetic energy over the entire range of metallic densities....

  7. Kinetic parameter estimation from SPECT cone-beam projection measurements

    International Nuclear Information System (INIS)

    Huesman, Ronald H.; Reutter, Bryan W.; Zeng, G. Larry; Gullberg, Grant T.

    1998-01-01

    Kinetic parameters are commonly estimated from dynamically acquired nuclear medicine data by first reconstructing a dynamic sequence of images and subsequently fitting the parameters to time-activity curves generated from regions of interest overlaid upon the image sequence. Biased estimates can result from images reconstructed using inconsistent projections of a time-varying distribution of radiopharmaceutical acquired by a rotating SPECT system. If the SPECT data are acquired using cone-beam collimators wherein the gantry rotates so that the focal point of the collimators always remains in a plane, additional biases can arise from images reconstructed using insufficient, as well as truncated, projection samples. To overcome these problems we have investigated the estimation of kinetic parameters directly from SPECT cone-beam projection data by modelling the data acquisition process. To accomplish this it was necessary to parametrize the spatial and temporal distribution of the radiopharmaceutical within the SPECT field of view. In a simulated chest image volume, kinetic parameters were estimated for simple one-compartment models for four myocardial regions of interest. Myocardial uptake and washout parameters estimated by conventional analysis of noiseless simulated cone-beam data had biases ranging between 3-26% and 0-28%, respectively. Parameters estimated directly from the noiseless projection data were unbiased as expected, since the model used for fitting was faithful to the simulation. Statistical uncertainties of parameter estimates for 10 000 000 events ranged between 0.2-9% for the uptake parameters and between 0.3-6% for the washout parameters. (author)

  8. Estimation of beech pyrolysis kinetic parameters by Shuffled Complex Evolution.

    Science.gov (United States)

    Ding, Yanming; Wang, Changjian; Chaos, Marcos; Chen, Ruiyu; Lu, Shouxiang

    2016-01-01

    The pyrolysis kinetics of a typical biomass energy feedstock, beech, was investigated based on thermogravimetric analysis over a wide heating rate range from 5K/min to 80K/min. A three-component (corresponding to hemicellulose, cellulose and lignin) parallel decomposition reaction scheme was applied to describe the experimental data. The resulting kinetic reaction model was coupled to an evolutionary optimization algorithm (Shuffled Complex Evolution, SCE) to obtain model parameters. To the authors' knowledge, this is the first study in which SCE has been used in the context of thermogravimetry. The kinetic parameters were simultaneously optimized against data for 10, 20 and 60K/min heating rates, providing excellent fits to experimental data. Furthermore, it was shown that the optimized parameters were applicable to heating rates (5 and 80K/min) beyond those used to generate them. Finally, the predicted results based on optimized parameters were contrasted with those based on the literature. Copyright © 2015 Elsevier Ltd. All rights reserved.

  9. Importance of (n,xn) reactions in evaluating kinetic parameters of subcritical assemblies: from classic to modern formalism

    Energy Technology Data Exchange (ETDEWEB)

    Talamo, Alberto; Gohar, Yousry, E-mail: alby@anl.gov [Argonne National Laboratory, Lemont, IL (United States); Dulla, Sandra; Ravetto, Piero [Politecnico di Torino (Italy)

    2011-07-01

    The importance of (n,xn) reactions must be taken into consideration while calculating the kinetic parameters of subcritical assemblies driven by an external neutron source. This study is divided into two parts, the first part is dedicated to the classic definition of the neutron source multiplication factor and two alternative calculation methodologies are compared. The second part considers a new definition of the kinetic parameters for subcritical assemblies, with particular emphasis on the delayed neutron fraction and generation time. This new definition has been modified to take into account the external neutron source and (n,xn) reactions, which increase the fraction of prompt neutrons. The developed theoretical framework has been applied by Monte Carlo and deterministic calculations to the YALINA Thermal subcritical assembly in Belarus. This facility can be driven by californium, deuterium-deuterium (D-D), or deuterium-tritium (D-T) external neutron sources. For the D-T neutron source, (n,xn) reactions must be taken into account in order to produce accurate results because the average energy of D-T source neutrons is 14.1 MeV, a value much higher than the threshold energy of the (n,2n) cross section of uranium isotopes. (author)

  10. Importance of (n,xn) reactions in evaluating kinetic parameters of subcritical assemblies: from classic to modern formalism

    International Nuclear Information System (INIS)

    Talamo, Alberto; Gohar, Yousry; Dulla, Sandra; Ravetto, Piero

    2011-01-01

    The importance of (n,xn) reactions must be taken into consideration while calculating the kinetic parameters of subcritical assemblies driven by an external neutron source. This study is divided into two parts, the first part is dedicated to the classic definition of the neutron source multiplication factor and two alternative calculation methodologies are compared. The second part considers a new definition of the kinetic parameters for subcritical assemblies, with particular emphasis on the delayed neutron fraction and generation time. This new definition has been modified to take into account the external neutron source and (n,xn) reactions, which increase the fraction of prompt neutrons. The developed theoretical framework has been applied by Monte Carlo and deterministic calculations to the YALINA Thermal subcritical assembly in Belarus. This facility can be driven by californium, deuterium-deuterium (D-D), or deuterium-tritium (D-T) external neutron sources. For the D-T neutron source, (n,xn) reactions must be taken into account in order to produce accurate results because the average energy of D-T source neutrons is 14.1 MeV, a value much higher than the threshold energy of the (n,2n) cross section of uranium isotopes. (author)

  11. Kinetic Parameters of Thermal Degradation of Polymers

    Institute of Scientific and Technical Information of China (English)

    朱新生; 程嘉祺

    2003-01-01

    The derivative expressions between activation energy (E) and the temperature at the maximum mass loss rate(Tmax) and between activation energy (E) and exponent (N) were deduced in the light of Arrhenius theory. It was found that the increase of activation energy results in the decrease of exponent and the increase of Tmax. The kinetic parameters were involved in the analysis of the thermal degradation of several polymers. The degradation kinetics of these polymers well complied with the prediction of the derivative expressions for the polymer degradation with single mechanism dominated.

  12. Kinetic parameter estimation model for anaerobic co-digestion of waste activated sludge and microalgae.

    Science.gov (United States)

    Lee, Eunyoung; Cumberbatch, Jewel; Wang, Meng; Zhang, Qiong

    2017-03-01

    Anaerobic co-digestion has a potential to improve biogas production, but limited kinetic information is available for co-digestion. This study introduced regression-based models to estimate the kinetic parameters for the co-digestion of microalgae and Waste Activated Sludge (WAS). The models were developed using the ratios of co-substrates and the kinetic parameters for the single substrate as indicators. The models were applied to the modified first-order kinetics and Monod model to determine the rate of hydrolysis and methanogenesis for the co-digestion. The results showed that the model using a hyperbola function was better for the estimation of the first-order kinetic coefficients, while the model using inverse tangent function closely estimated the Monod kinetic parameters. The models can be used for estimating kinetic parameters for not only microalgae-WAS co-digestion but also other substrates' co-digestion such as microalgae-swine manure and WAS-aquatic plants. Copyright © 2016 Elsevier Ltd. All rights reserved.

  13. Estimation of kinetic and thermodynamic ligand-binding parameters using computational strategies.

    Science.gov (United States)

    Deganutti, Giuseppe; Moro, Stefano

    2017-04-01

    Kinetic and thermodynamic ligand-protein binding parameters are gaining growing importance as key information to consider in drug discovery. The determination of the molecular structures, using particularly x-ray and NMR techniques, is crucial for understanding how a ligand recognizes its target in the final binding complex. However, for a better understanding of the recognition processes, experimental studies of ligand-protein interactions are needed. Even though several techniques can be used to investigate both thermodynamic and kinetic profiles for a ligand-protein complex, these procedures are very often laborious, time consuming and expensive. In the last 10 years, computational approaches have enormous potential in providing insights into each of the above effects and in parsing their contributions to the changes in both kinetic and thermodynamic binding parameters. The main purpose of this review is to summarize the state of the art of computational strategies for estimating the kinetic and thermodynamic parameters of a ligand-protein binding.

  14. Experimental estimations of the kinetics parameters of the IBR-2M reactor by stochastic noises

    International Nuclear Information System (INIS)

    Pepelyshev, Yu.N.; Tajybov, L.A.; Garibov, A.A.; Mekhtieva, R.N.

    2012-01-01

    Experimental investigations of stochastic fluctuations of pulse energy of the IBR-2M reactor have been carried out which allowed us to obtain some of the parameters of the reactor kinetics. At different levels of average power a sequence of values of pulse energy was recorded with the calculation of the distribution parameters. An ionization chamber with boron installed near the active zone was used as a neutron detector. The research results allowed us to estimate the average lifetime of prompt neutrons τ = (6.53±0.2)·10 -8 s, absolute power of the reactor and intensity of the source of spontaneous neutrons S sp ≤(6.72±0.12)·10 6 s -1 . It was shown that the experimental results are close to the calculated ones

  15. The validation of neutron kinetic calculations of CEGB reactors

    International Nuclear Information System (INIS)

    Emmett, J.C.A.; Hutt, P.K.; Nunn, D.L.; Waterson, R.H.

    1982-01-01

    Reactor kinetic calculations are required by the CEGB to predict space and time varying neutron fluxes through the course of various hypothesized core transients. These transients arise through flow or reactivity perturbations occurring in a part of the core. A description is given of the results of dual programmes of work undertaken at BNL to validate such calculations. Firstly, analyses have been carried out to establish how data for these calculations should best be derived. Secondly, experimental measurements have been compared against the predictions of such calculations with data derived in the recommended way. (author)

  16. Accounting for chemical kinetics in field scale transport calculations

    International Nuclear Information System (INIS)

    Bryan, N.D.

    2005-01-01

    The modelling of column experiments has shown that the humic acid mediated transport of metal ions is dominated by the non-exchangeable fraction. Metal ions enter this fraction via the exchangeable fraction, and may transfer back again. However, in both directions these chemical reactions are slow. Whether or not a kinetic description of these processes is required during transport calculations, or an assumption of local equilibrium will suffice, will depend upon the ratio of the reaction half-time to the residence time of species within the groundwater column. If the flow rate is sufficiently slow or the reaction sufficiently fast then the assumption of local equilibrium is acceptable. Alternatively, if the reaction is sufficiently slow (or the flow rate fast), then the reaction may be 'decoupled', i.e. removed from the calculation. These distinctions are important, because calculations involving chemical kinetics are computationally very expensive, and should be avoided wherever possible. In addition, column experiments have shown that the sorption of humic substances and metal-humate complexes may be significant, and that these reactions may also be slow. In this work, a set of rules is presented that dictate when the local equilibrium and decoupled assumptions may be used. In addition, it is shown that in all cases to a first approximation, the behaviour of a kinetically controlled species, and in particular its final distribution against distance at the end of a calculation, depends only upon the ratio of the reaction first order rate to the residence time, and hence, even in the region where the simplifications may not be used, the behaviour is predictable. In this way, it is possible to obtain an estimate of the migration of these species, without the need for a complex transport calculation. (orig.)

  17. Using linear time-invariant system theory to estimate kinetic parameters directly from projection measurements

    International Nuclear Information System (INIS)

    Zeng, G.L.; Gullberg, G.T.

    1995-01-01

    It is common practice to estimate kinetic parameters from dynamically acquired tomographic data by first reconstructing a dynamic sequence of three-dimensional reconstructions and then fitting the parameters to time activity curves generated from the time-varying reconstructed images. However, in SPECT, the pharmaceutical distribution can change during the acquisition of a complete tomographic data set, which can bias the estimated kinetic parameters. It is hypothesized that more accurate estimates of the kinetic parameters can be obtained by fitting to the projection measurements instead of the reconstructed time sequence. Estimation from projections requires the knowledge of their relationship between the tissue regions of interest or voxels with particular kinetic parameters and the project measurements, which results in a complicated nonlinear estimation problem with a series of exponential factors with multiplicative coefficients. A technique is presented in this paper where the exponential decay parameters are estimated separately using linear time-invariant system theory. Once the exponential factors are known, the coefficients of the exponentials can be estimated using linear estimation techniques. Computer simulations demonstrate that estimation of the kinetic parameters directly from the projections is more accurate than the estimation from the reconstructed images

  18. Estimation of apparent kinetic parameters of polymer pyrolysis with complex thermal degradation behavior

    International Nuclear Information System (INIS)

    Srimachai, Taranee; Anantawaraskul, Siripon

    2010-01-01

    Full text: Thermal degradation behavior during polymer pyrolysis can typically be described using three apparent kinetic parameters (i.e., pre-exponential factor, activation energy, and reaction order). Several efficient techniques have been developed to estimate these apparent kinetic parameters for simple thermal degradation behavior (i.e., single apparent pyrolysis reaction). Unfortunately, these techniques cannot be directly extended to the case of polymer pyrolysis with complex thermal degradation behavior (i.e., multiple concurrent reactions forming single or multiple DTG peaks). In this work, we proposed a deconvolution method to determine the number of apparent reactions and estimate three apparent kinetic parameters and contribution of each reaction for polymer pyrolysis with complex thermal degradation behavior. The proposed technique was validated with the model and experimental pyrolysis data of several polymer blends with known compositions. The results showed that (1) the number of reaction and (2) three apparent kinetic parameters and contribution of each reaction can be estimated reasonably. The simulated DTG curves with estimated parameters also agree well with experimental DTG curves. (author)

  19. Neutronic calculation of safety parameters for the RP-0 and RP-10 nuclear reactors

    OpenAIRE

    Lázaro, Gerardo; Deen, James R.; Woodruff, William L.

    2002-01-01

    Theoretical safety calculations were done with proved codes utilized by the staff of the RERTR program in the HEU to LEU core conversions. The studies were designed to evaluate the reactivity coefficients and kinetics parameters of the reactor involved in the evolution of peak power transients by reactivity insertion accidents. It was done to show the trend of these reactivity coefficients as a function of the core size and fuel depletion for RP10 cores. It was useful to get a better underst...

  20. Effect of Utilization of Silicide Fuel with the Density 4.8 gU/cc on the Kinetic Parameters of RSG-GAS Reactor

    International Nuclear Information System (INIS)

    Setiyanto; Sembiring, Tagor M.; Pinem, Surian

    2007-01-01

    Presently, the RSG-GAS reactor using silicide fuel element of 2.96 gU/cc. For increasing reactor operation time, its planning to change to higher density fuel. The kinetic calculation of silicide core with density 4.8 gU/cc has been carried out, since it has an influence on the reactor operation safety. The calculated kinetic parameters are the effective delayed neutron fraction, the delayed neutron decay constant, prompt neutron lifetime and feedback reactivity coefficient very important for reactor operation safety. the calculation is performed in 2-dimensional neutron diffusion-perturbation method using modified Batan-2DIFF code. The calculation showed that the effective delayed neutron fraction is 7. 03256x10 -03 , total delay neutron time constant is 7.85820x10 -02 s -1 and the prompt neutron lifetime is 55.4900 μs. The result of prompt neutron lifetime smaller 10 % compare with silicide fuel of 4.8 gU/cc. The calculated results showed that all of the feedback reactivity coefficient silicide core 4.8 gU/cc is negative. Totally, the feedback reactivity coefficient of silicide fuel of 4.8 gU/cc is 10% less than that of silicide fuel of 2.96 gU/cc. The results shown that kinetic parameters result decrease compared with the silicide core with density 2.96 gU/cc, but no significant influence in the RSG-GAS reactor operation. (author)

  1. Calculation the kinetics of the baking biscuit process

    Directory of Open Access Journals (Sweden)

    S. T. Antipov

    2013-01-01

    Full Text Available Based on the input values of the equivalent values of thermophysical units and the heat transfer coefficient were calculated: values that reflect the kinetics of the process of baking; values allowing to determine the relationship duration baking temperature in the baking chamber; the voltage of the active area of the hearth.

  2. Kinetics parameter measurements on RSG-GAS, a low-enriched fuel reactor

    International Nuclear Information System (INIS)

    Jujuratisbela, U; Arbie, B; Pinem, S.; Tukiran; Suparlina, L.; Singh, O.P.

    1995-01-01

    Kinetics parameter measurements, such as reactivity worths of control rods and fuel elements, beam tube void reactivity, power reactivity coefficient and xenon poisoning reactivity have been performed on different cores of Reaktor Serba Guna G.A. Siwabessy (RSG-GAS). In parallel, a programme was also initiated to measure the other kinetics parameters like effective delayed neutron life time, prompt neutron decay constant, validation of period reactivity relationship and zero power frequency response function. The paper provides the results of these measurements. (author)

  3. Estimating kinetic mechanisms with prior knowledge I: Linear parameter constraints.

    Science.gov (United States)

    Salari, Autoosa; Navarro, Marco A; Milescu, Mirela; Milescu, Lorin S

    2018-02-05

    To understand how ion channels and other proteins function at the molecular and cellular levels, one must decrypt their kinetic mechanisms. Sophisticated algorithms have been developed that can be used to extract kinetic parameters from a variety of experimental data types. However, formulating models that not only explain new data, but are also consistent with existing knowledge, remains a challenge. Here, we present a two-part study describing a mathematical and computational formalism that can be used to enforce prior knowledge into the model using constraints. In this first part, we focus on constraints that enforce explicit linear relationships involving rate constants or other model parameters. We develop a simple, linear algebra-based transformation that can be applied to enforce many types of model properties and assumptions, such as microscopic reversibility, allosteric gating, and equality and inequality parameter relationships. This transformation converts the set of linearly interdependent model parameters into a reduced set of independent parameters, which can be passed to an automated search engine for model optimization. In the companion article, we introduce a complementary method that can be used to enforce arbitrary parameter relationships and any constraints that quantify the behavior of the model under certain conditions. The procedures described in this study can, in principle, be coupled to any of the existing methods for solving molecular kinetics for ion channels or other proteins. These concepts can be used not only to enforce existing knowledge but also to formulate and test new hypotheses. © 2018 Salari et al.

  4. Correlating thermodynamic and kinetic parameters with amorphous stability

    DEFF Research Database (Denmark)

    Graeser, Kirsten A; Patterson, James E; Zeitler, J Axel

    2009-01-01

    Poor physical stability is one of the single most important factors limiting the widespread use of the amorphous state in pharmaceutics. The purpose of this study is to move away from the case study approach by investigating thermodynamic and kinetic parameters as potential predictors of physical...

  5. Kinetics parameters of a slurry remediation process in rotating drum bioreactors

    International Nuclear Information System (INIS)

    Esquivel-Rios, I.; Rodriguez-Meza, M. A.; Barrera-Cortes, J.

    2009-01-01

    The knowledge of biotransformation pollution dynamics in any systems is important for design and optimization purposes of biochemical processes involved. this is focus to the determination of kinetics parameters such as the maximum specific growth rate (μMAX), saturation constant (Ks), biomass yield (YX/S; X: biomass, S: substrate) and oxygen consumption (YO 2 /S; O 2 : oxygen). Several approximations, based on Monod equation, have been developed for estimating kinetics parameters in terms of concentration and type of substrate, bioprocess type and microflora available. (Author)

  6. Kinetics Parameters of VVER-1000 Core with 3 MOX Lead Test Assemblies To Be Used for Accident Analysis Codes

    International Nuclear Information System (INIS)

    Pavlovitchev, A.M.

    2000-01-01

    The present work is a part of Joint U.S./Russian Project with Weapons-Grade Plutonium Disposition in VVER Reactor and presents the neutronics calculations of kinetics parameters of VVER-1000 core with 3 introduced MOX LTAs. MOX LTA design has been studied in [1] for two options of MOX LTA: 100% plutonium and of ''island'' type. As a result, zoning i.e. fissile plutonium enrichments in different plutonium zones, has been defined. VVER-1000 core with 3 introduced MOX LTAs of chosen design has been calculated in [2]. In present work, the neutronics data for transient analysis codes (RELAP [3]) has been obtained using the codes chain of RRC ''Kurchatov Institute'' [5] that is to be used for exploitation neutronics calculations of VVER. Nowadays the 3D assembly-by-assembly code BIPR-7A and 2D pin-by-pin code PERMAK-A, both with the neutronics constants prepared by the cell code TVS-M, are the base elements of this chain. It should be reminded that in [6] TVS-M was used only for the constants calculations of MOX FAs. In current calculations the code TVS-M has been used both for UOX and MOX fuel constants. Besides, the volume of presented information has been increased and additional explications have been included. The results for the reference uranium core [4] are presented in Chapter 2. The results for the core with 3 MOX LTAs are presented in Chapter 3. The conservatism that is connected with neutronics parameters and that must be taken into account during transient analysis calculations, is discussed in Chapter 4. The conservative parameters values are considered to be used in 1-point core kinetics models of accident analysis codes

  7. Modelling and determination of the kinetic parameters of the pyrolysis of Dichrostachys cinerea

    International Nuclear Information System (INIS)

    Abreu Naranjo, Reinier; Romero Romero, Osvaldo

    2011-01-01

    In the present study were analyzed biomass samples of Dichrostachys cinerea, commonly known in Cuba as marabou, by thermogravimetric method at various heating rates of devolatilization in nitrogen atmosphere at 5, 10 and 20 C min-1. On the kinetic analysis was used a mechanism of three independent reactions of order 1, generally attributed to three chief components of this kind of lignocellulose materials, hemicelluloses, cellulose and lignin. The values of activation energy, pre-exponential factor and contribution factor were similar to those reported in previous research for this type of biomass. The proposed model predicts with acceptable correlation the experimental and calculated curves of the decomposition of D. cinerea, with a deviation factor less than 5% for the temperature range studied. On the other hand, the kinetic parameters of the thermal decomposition coupled at equations of transport phenomena are essential to optimize the design and use of biomass thermochemical conversion processes, hence the importance of the research. (author)

  8. On the analysis of glow curves with the general order kinetics: Reliability of the computed trap parameters

    Energy Technology Data Exchange (ETDEWEB)

    Ortega, F. [Facultad de Ingeniería (UNCPBA) and CIFICEN (UNCPBA – CICPBA – CONICET), Av. del Valle 5737, 7400 Olavarría (Argentina); Santiago, M.; Martinez, N.; Marcazzó, J.; Molina, P.; Caselli, E. [Instituto de Física Arroyo Seco (UNCPBA) and CIFICEN (UNCPBA – CICPBA – CONICET), Pinto 399, 7000 Tandil (Argentina)

    2017-04-15

    Nowadays the most employed kinetics for analyzing glow curves is the general order kinetics (GO) proposed by C. E. May and J. A. Partridge. As shown in many articles this kinetics might yield wrong parameters characterizing trap and recombination centers. In this article this kinetics is compared with the modified general order kinetics put forward by M. S. Rasheedy by analyzing synthetic glow curves. The results show that the modified kinetics gives parameters, which are more accurate than that yield by the original general order kinetics. A criterion is reported to evaluate the accuracy of the trap parameters found by deconvolving glow curves. This criterion was employed to assess the reliability of the trap parameters of the YVO{sub 4}: Eu{sup 3+} compounds.

  9. Calculation of electromagnetic parameter based on interpolation algorithm

    International Nuclear Information System (INIS)

    Zhang, Wenqiang; Yuan, Liming; Zhang, Deyuan

    2015-01-01

    Wave-absorbing material is an important functional material of electromagnetic protection. The wave-absorbing characteristics depend on the electromagnetic parameter of mixed media. In order to accurately predict the electromagnetic parameter of mixed media and facilitate the design of wave-absorbing material, based on the electromagnetic parameters of spherical and flaky carbonyl iron mixture of paraffin base, this paper studied two different interpolation methods: Lagrange interpolation and Hermite interpolation of electromagnetic parameters. The results showed that Hermite interpolation is more accurate than the Lagrange interpolation, and the reflectance calculated with the electromagnetic parameter obtained by interpolation is consistent with that obtained through experiment on the whole. - Highlights: • We use interpolation algorithm on calculation of EM-parameter with limited samples. • Interpolation method can predict EM-parameter well with different particles added. • Hermite interpolation is more accurate than Lagrange interpolation. • Calculating RL based on interpolation is consistent with calculating RL from experiment

  10. Determination of thermoluminescence kinetic parameters of thulium doped lithium calcium borate

    International Nuclear Information System (INIS)

    Jose, M.T.; Anishia, S.R.; Annalakshmi, O.; Ramasamy, V.

    2011-01-01

    For the first time kinetic parameters of thulium doped Lithium calcium borate (LCB) Thermoluminescence (TL) material are reported here. Irradiated LCB:Tm 3+ powder has revealed two intense TL glow peaks one at 510 (peak 1) and the other at 660 K (peak 2). Activation energy (E), frequency factor (s) and order of kinetics (b) of these peaks were determined by various heating rate (VHR), initial rise (IR), and peak shape (PS) methods. The trap depth and frequency factor determined for peaks 1 and 2 of LCB:Tm phosphor using VHR and IR methods are in good agreement. The average activation energy of peaks 1 and 2 obtained by these methods is 1.62 and 1.91 eV respectively. The frequency factors of peaks 1 and 2 are in the range of 10 13-16 and 10 12-14 sec -1 respectively. The E and s values estimated using the glow peak shape dependent parameters are relatively less compared to the values obtained from other methods. The large difference in these values is due to the complex nature of the glow curves. The order of the kinetics process for complex glow curve peaks could not be assigned on the basis of shape parameters alone but T m response on absorbed dose is to be considered for final confirmation. Glow peaks 1 and 2 of LCB:Tm 3+ obey first and general order kinetics respectively. - Highlights: → Trap depth and frequency factor are determined for the peaks at 510 and 660 K of LCB:Tm. → Parameters obtained by various heating rate and initial rise methods are in good agreement. → Trap depth of peak 1 and peak 2 is 1.61 eV and 1.91 eV respectively. → T m response to absorbed dose is used to distinguish a first order or non-first order kinetics.

  11. Determination of the kinetic parameters of BeO thermoluminescent samples using different methods

    Energy Technology Data Exchange (ETDEWEB)

    Algarve, Fábio J.; Caldas, Linda V.E., E-mail: fjalgarve@ipen.br, E-mail: lcaldas@ipen.br [Instituto de Pesquisas Energéticas e Nucleares (IPEN/CNEN-SP), São Paulo, SP (Brazil)

    2017-07-01

    The objective of this work was to determine the kinetic parameters of BeO thermoluminescent (TL) samples. The knowledge of the kinetic parameters is important for the general description of the physical characteristics of a thermoluminescent material. Using a linear heating rate of 5K/s{sup -1}, the BeO peak temperatures obtained were (474.7 ± 1.2) K and (620.5 ± 1.2) K, respectively, for the first and second TL peaks. The peak shape and the glow curve area measurement methods and the Urbach formula have been used for the trap parameter determination. A kinetic order of about two was determined for the first peak, whereas the second peak followed the first-order kinetics according to the geometrical factor. The energy activation values obtained using different kinds of measurements are in good agreement, including the Kitis method for deconvolution of the glow curve. Furthermore the results agree with those presented by other authors. (author)

  12. Achieving High Accuracy in Calculations of NMR Parameters

    DEFF Research Database (Denmark)

    Faber, Rasmus

    quantum chemical methods have been developed, the calculation of NMR parameters with quantitative accuracy is far from trivial. In this thesis I address some of the issues that makes accurate calculation of NMR parameters so challenging, with the main focus on SSCCs. High accuracy quantum chemical......, but no programs were available to perform such calculations. As part of this thesis the CFOUR program has therefore been extended to allow the calculation of SSCCs using the CC3 method. CC3 calculations of SSCCs have then been performed for several molecules, including some difficult cases. These results show...... vibrations must be included. The calculation of vibrational corrections to NMR parameters has been reviewed as part of this thesis. A study of the basis set convergence of vibrational corrections to nuclear shielding constants has also been performed. The basis set error in vibrational correction...

  13. Parameters and kinetics of olive mill wastewater dephenolization by immobilized Rhodotorula glutinis cells.

    Science.gov (United States)

    Bozkoyunlu, Gaye; Takaç, Serpil

    2014-01-01

    Olive mill wastewater (OMW) with total phenol (TP) concentration range of 300-1200 mg/L was treated with alginate-immobilized Rhodotorula glutinis cells in batch system. The effects of pellet properties (diameter, alginate concentration and cell loading (CL)) and operational parameters (initial TP concentration, agitation rate and reusability of pellets) on dephenolization of OMW were studied. Up to 87% dephenolization was obtained after 120 h biodegradations. The utilization number of pellets increased with the addition of calcium ions into the biodegradation medium. The overall effectiveness factors calculated for different conditions showed that diffusional limitations arising from pellet size and pellet composition could be neglected. Mass transfer limitations appeared to be more effective at high substrate concentrations and low agitation rates. The parameters of logistic model for growth kinetics of R. glutinis in OMW were estimated at different initial phenol concentrations of OMW by curve-fitting of experimental data with the model.

  14. Effect of long-term physical aging on the kinetic parameters in a common pharmaceutical drug: Flutab

    International Nuclear Information System (INIS)

    Abu-Sehly, A.A.; Elabbar, A.A.

    2011-01-01

    Differential scanning calorimetry (DSC) measurements were performed to investigate the effects of long-term physical aging on kinetic parameters of the pharmaceutical drug (Flutab). Kinetics parameters such as activation energy (E) and fragility parameter (m) of the glass transition for aged and rejuvenated glasses were determined using different kinetic models. Evidence of variation of E with temperature is presented. It is shown in this work that natural storage of the drug introduced significant physical aging as indicated by changes in the glass transition temperature, activation energy and fragility parameter.

  15. Measurements for kinetic parameters estimation in the RA-0 research reactor

    International Nuclear Information System (INIS)

    Gomez, A; Bellino, P A

    2012-01-01

    In the present work, measurements based on the neutron noise technique and the inverse kinetic method were performed to estimate the different kinetic parameters of the reactor in its critical state. By means of the neutron noise technique, we obtained the current calibration factor of the ionization chamber M6 belonging to the power range channels of the reactor instrumentation. The maximum current allowed compatible with the maximum power authorized by the operation license was also obtained. Using the neutron noise technique, the reduced mean reproduction time (Λ*) was estimated. This parameter plays a fundamental role in the deterministic analysis of criticality accidents. Comparison with previous values justified performing new measurements to study systematic trends in the value of Λ*. Using the inverse kinetics method, the reactivity worth of the control rods was estimated, confirming the existence of spatial effects and trends previously observed (author)

  16. Esterification of fatty acids using nylon-immobilized lipase in n-hexane: kinetic parameters and chain-length effects.

    Science.gov (United States)

    Zaidi, A; Gainer, J L; Carta, G; Mrani, A; Kadiri, T; Belarbi, Y; Mir, A

    2002-02-28

    The esterification of long-chain fatty acids in n-hexane catalyzed by nylon-immobilized lipase from Candida rugosa has been investigated. Butyl oleate (22 carbon atoms), oleyl butyrate (22 carbon atoms) and oleyl oleate (36 carbon atoms) were produced at maximum reaction rates of approximately equal to 60 mmol h(-1) g(-1) immobilized enzyme when the substrates were present in equimolar proportions at an initial concentration of 0.6 mol l(-1). The observed kinetic behavior of all the esterification reactions is found to follow a ping-pong bi-bi mechanism with competitive inhibition by both substrates. The effect of the chain-length of the fatty acids and the alcohols could be correlated to some mechanistic models, in accordance with the calculated kinetic parameters.

  17. SCATPI, a subroutine for calculating πN cross sections and polarizations for incident pion kinetic energies between 90 and 300 MeV

    International Nuclear Information System (INIS)

    Walter, J.B.; Rebka, G.A. Jr.

    1979-03-01

    A subroutine, SCATPI, was written which calculates π + p elastic differential cross sections for incident pion kinetic energies between 90 and 310 MeV for π - p. The calculation is based upon the phase shift analysis of Carter, Bugg, and Carter, and is reliable to about 2% for π + p and 3% for π - p differential cross sections. SCATPI also calculates other scattering parameters for the π+-p systems. The calculations are compared with the measurements used in the phase shift analysis, and with selected recent measurements. The use of SCATPI is described. 14 figures, 4 tables

  18. Determination of kinetic parameters of Phlomis bovei de Noé using thermogravimetric analysis.

    Science.gov (United States)

    Yahiaoui, Meriem; Hadoun, Hocine; Toumert, Idir; Hassani, Aicha

    2015-11-01

    This paper reports the pyrolysis study of Phlomis bovei biomass by thermogravimetric experiments in order to determine the thermal degradation behavior and kinetic parameters. The weight losses were found to occur in three stages. In the DTG thermograms, an increase of the heating rate tended to delay thermal degradation processes towards higher temperatures. The average values of activation energy and pre-exponential factor calculated from Ozawa-Flynn-Wall, Kissinger-Akahira-Sunose and Kissinger methods are 134.83, 134.06, 223.31kJ/mol and 4.1610(13), 1.1810(10), 2.8110(11)/s, respectively. The three-pseudo-component method shows that the activation energy increases with increasing the heating rate for hemicellulose and cellulose while the activation energy of the lignin decreased with an increase of the heating rate. Predicted results and experimental data exhibit similar tendencies and the three pseudo-components model with n different from unity 1 is recommended as the most suitable for prediction of kinetic behavior of Phlomis bovei de Noé. Copyright © 2015 Elsevier Ltd. All rights reserved.

  19. Exploring unimolecular dissociation kinetics of ethyl dibromide through electronic structure calculations

    Science.gov (United States)

    Gulvi, Nitin R.; Patel, Priyanka; Badani, Purav M.

    2018-04-01

    Pathway for dissociation of multihalogenated alkyls is observed to be competitive between molecular and atomic elimination products. Factors such as molecular structure, temperature and pressure are known to influence the same. Hence present work is focussed to explore mechanism and kinetics of atomic (Br) and molecular (HBr and Br2) elimination upon pyrolysis of 1,1- and 1,2-ethyl dibromide (EDB). For this purpose, electronic structure calculations were performed at DFT and CCSD(T) level of theory. In addition to concerted mechanism, an alternate energetically efficient isomerisation pathway has been exploited for molecular elimination. Energy calculations are further complimented by detailed kinetic investigation, over wide range of temperature and pressure, using suitable models like Canonical Transition State Theory, Statistical Adiabatic Channel Model and Troe's formalism. Our calculations suggest high branching ratio for dehydrohalogentation reaction, from both isomers of EDB. Fall off curve depicts good agreement between theoretically estimated and experimentally reported values.

  20. Space-time reactor kinetics for heterogeneous reactor structure

    Energy Technology Data Exchange (ETDEWEB)

    Raisic, N [Boris Kidric Institute of nuclear sciences Vinca, Belgrade (Yugoslavia)

    1969-11-15

    An attempt is made to formulate time dependent diffusion equation based on Feinberg-Galanin theory in the from analogue to the classical reactor kinetic equation. Parameters of these equations could be calculated using the existing codes for static reactor calculation based on the heterogeneous reactor theory. The obtained kinetic equation could be analogues in form to the nodal kinetic equation. Space-time distribution of neutron flux in the reactor can be obtained by solving these equations using standard methods.

  1. Inverse modeling approach for evaluation of kinetic parameters of a biofilm reactor using tabu search.

    Science.gov (United States)

    Kumar, B Shiva; Venkateswarlu, Ch

    2014-08-01

    The complex nature of biological reactions in biofilm reactors often poses difficulties in analyzing such reactors experimentally. Mathematical models could be very useful for their design and analysis. However, application of biofilm reactor models to practical problems proves somewhat ineffective due to the lack of knowledge of accurate kinetic models and uncertainty in model parameters. In this work, we propose an inverse modeling approach based on tabu search (TS) to estimate the parameters of kinetic and film thickness models. TS is used to estimate these parameters as a consequence of the validation of the mathematical models of the process with the aid of measured data obtained from an experimental fixed-bed anaerobic biofilm reactor involving the treatment of pharmaceutical industry wastewater. The results evaluated for different modeling configurations of varying degrees of complexity illustrate the effectiveness of TS for accurate estimation of kinetic and film thickness model parameters of the biofilm process. The results show that the two-dimensional mathematical model with Edward kinetics (with its optimum parameters as mu(max)rho(s)/Y = 24.57, Ks = 1.352 and Ki = 102.36) and three-parameter film thickness expression (with its estimated parameters as a = 0.289 x 10(-5), b = 1.55 x 10(-4) and c = 15.2 x 10(-6)) better describes the biofilm reactor treating the industry wastewater.

  2. Determination of Kinetic Parameters for the Thermal Decomposition of Parthenium hysterophorus

    Directory of Open Access Journals (Sweden)

    Dhaundiyal Alok

    2018-02-01

    Full Text Available A kinetic study of pyrolysis process of Parthenium hysterophorous is carried out by using thermogravimetric analysis (TGA equipment. The present study investigates the thermal degradation and determination of the kinetic parameters such as activation E and the frequency factor A using model-free methods given by Flynn Wall and Ozawa (FWO, Kissinger-Akahira-Sonuse (KAS and Kissinger, and model-fitting (Coats Redfern. The results derived from thermal decomposition process demarcate decomposition of Parthenium hysterophorous among the three main stages, such as dehydration, active and passive pyrolysis. It is shown through DTG thermograms that the increase in the heating rate caused temperature peaks at maximum weight loss rate to shift towards higher temperature regime. The results are compared with Coats Redfern (Integral method and experimental results have shown that values of kinetic parameters obtained from model-free methods are in good agreement. Whereas the results obtained through Coats Redfern model at different heating rates are not promising, however, the diffusion models provided the good fitting with the experimental data.

  3. Characteristic parameters of drift chambers calculation

    International Nuclear Information System (INIS)

    Duran, I.; Martinez-Laso, L.

    1989-01-01

    We present here the methods we used to analyse the characteristic parameters of drift chambers. The algorithms to calculate the electric potential in any point for any drift chamber geometry are presented. We include the description of the programs used to calculate the electric field, the drift paths, the drift velocity and the drift time. The results and the errors are discussed. (Author) 7 refs

  4. Maps of Fe-Al phases formation kinetics parameters during isothermal sintering

    Energy Technology Data Exchange (ETDEWEB)

    Pochec, Ewelina, E-mail: epochec@wat.edu.pl [Department of Advanced Materials and Technology, Military University of Technology (Poland); Jozwiak, Stanislaw; Karczewski, Krzysztof; Bojar, Zbigniew [Department of Advanced Materials and Technology, Military University of Technology (Poland)

    2012-10-10

    Highlights: Black-Right-Pointing-Pointer The sintering temperature and compaction pressure have a strong influence on the sinters structure. Black-Right-Pointing-Pointer The measurements confirmed the presence of the high-aluminium phases from Fe-Al equilibrium system in tested sinters. Black-Right-Pointing-Pointer The kinetics of Fe-Al phase formation can be described by Johnson-Mehl-Avrami modelling. - Abstract: The influence of technological parameters (compaction pressure and sintering temperature) on Fe-Al phase formation was investigated. The kinetics of phase transformation preceding and during an SHS reaction was studied in isothermal conditions by DSC using the JMA (Johnson-Mehl-Avrami) model. This model allowed us to determine basic kinetic parameters, including the Avrami exponent, which characterises the rate and manner of particular phase nucleation. The activation energy (E{sub a}) of particular phase formation was determined by the Kissinger method. XRD analysis and SEM observations of sintered material showed that not only Fe{sub 2}Al{sub 5} phase and low-aluminium solid solution in iron but also aluminium-rich FeAl{sub 2} and FeAl{sub 3} phases are formed during the sintering of an FeAl50 elementary powder mixture in isothermal conditions with an SHS reaction. The above conclusions were confirmed by iron-based solid solution lattice parameter studies and microhardness measurements.

  5. KINETICS OF SLURRY PHASE FISCHER-TROPSCH SYSTHESIS

    International Nuclear Information System (INIS)

    Dragomir B. Bukur; Gilbert F. Froment; Tomasz Olewski

    2005-01-01

    This report covers the third year of this research grant under the University Coal Research program. The overall objective of this project is to develop a comprehensive kinetic model for slurry phase Fischer-Tropsch synthesis (FTS) on iron catalysts. This model will be validated with experimental data obtained in a stirred tank slurry reactor (STSR) over a wide range of process conditions. The model will be able to predict molar flow rates and concentrations of all reactants and major product species (H 2 O, CO 2 , linear 1- and 2-olefins, and linear paraffins) as a function of reaction conditions in the STSR. During the reporting period we utilized experimental data from the STSR, that were obtained during the first two years of the project, to perform vapor-liquid equilibrium (VLE) calculations and estimate kinetic parameters. We used a modified Peng-Robinson (PR) equation of state (EOS) with estimated values of binary interaction coefficients for the VLE calculations. Calculated vapor phase compositions were in excellent agreement with experimental values from the STSR under reaction conditions. Occasional discrepancies (for some of the experimental data) between calculated and experimental values of the liquid phase composition were ascribed to experimental errors. The VLE calculations show that the vapor and the liquid are in thermodynamic equilibrium under reaction conditions. Also, we have successfully applied the Levenberg-Marquardt method (Marquardt, 1963) to estimate parameters of a kinetic model proposed earlier by Lox and Froment (1993b) for FTS on an iron catalyst. This kinetic model is well suited for initial studies where the main goal is to learn techniques for parameter estimation and statistical analysis of estimated values of model parameters. It predicts that the chain growth parameter (α) and olefin to paraffin ratio are independent of carbon number, whereas our experimental data show that they vary with the carbon number. Predicted molar flow

  6. A robust methodology for kinetic model parameter estimation for biocatalytic reactions

    DEFF Research Database (Denmark)

    Al-Haque, Naweed; Andrade Santacoloma, Paloma de Gracia; Lima Afonso Neto, Watson

    2012-01-01

    lead to globally optimized parameter values. In this article, a robust methodology to estimate parameters for biocatalytic reaction kinetic expressions is proposed. The methodology determines the parameters in a systematic manner by exploiting the best features of several of the current approaches...... parameters, which are strongly correlated with each other. State-of-the-art methodologies such as nonlinear regression (using progress curves) or graphical analysis (using initial rate data, for example, the Lineweaver-Burke plot, Hanes plot or Dixon plot) often incorporate errors in the estimates and rarely...

  7. Thermodynamic criteria for estimating the kinetic parameters of catalytic reactions

    Science.gov (United States)

    Mitrichev, I. I.; Zhensa, A. V.; Kol'tsova, E. M.

    2017-01-01

    Kinetic parameters are estimated using two criteria in addition to the traditional criterion that considers the consistency between experimental and modeled conversion data: thermodynamic consistency and the consistency with entropy production (i.e., the absolute rate of the change in entropy due to exchange with the environment is consistent with the rate of entropy production in the steady state). A special procedure is developed and executed on a computer to achieve the thermodynamic consistency of a set of kinetic parameters with respect to both the standard entropy of a reaction and the standard enthalpy of a reaction. A problem of multi-criterion optimization, reduced to a single-criterion problem by summing weighted values of the three criteria listed above, is solved. Using the reaction of NO reduction with CO on a platinum catalyst as an example, it is shown that the set of parameters proposed by D.B. Mantri and P. Aghalayam gives much worse agreement with experimental values than the set obtained on the basis of three criteria: the sum of the squares of deviations for conversion, the thermodynamic consistency, and the consistency with entropy production.

  8. Validation of Neutron Calculation Codes and Models by means of benchmark cases in the frame of the Binational Commission of Nuclear Energy. Kinetic Parameters, Temperature Coefficients and Power Distribution

    International Nuclear Information System (INIS)

    Dos Santos, Adimir; Siqueira, Paulo de Tarso D.; Andrade e Silva, Graciete Simões; Grant, Carlos; Tarazaga, Ariel E.; Barberis, Claudia

    2013-01-01

    In year 2008 the Atomic Energy National Commission (CNEA) of Argentina, and the Brazilian Institute of Energetic and Nuclear Research (IPEN), under the frame of Nuclear Energy Argentine Brazilian Agreement (COBEN), among many others, included the project “Validation and Verification of Calculation Methods used for Research and Experimental Reactors . At this time, it was established that the validation was to be performed with models implemented in the deterministic codes HUEMUL and PUMA (cell and reactor codes) developed by CNEA and those ones implemented in MCNP by CNEA and IPEN. The necessary data for these validations would correspond to theoretical-experimental reference cases in the research reactor IPEN/MB-01 located in São Paulo, Brazil. The staff of the group Reactor and Nuclear Power Studies (SERC) of CNEA, from the argentine side, performed calculations with deterministic models (HUEMUL-PUMA) and probabilistic methods (MCNP) modeling a great number of physical situations of de reactor, which previously have been studied and modeled by members of the Center of Nuclear Engineering of the IPEN, whose results were extensively provided to CNEA. In this paper results of comparison of calculated and experimental results for temperature coefficients, kinetic parameters and fission rates spatial distributions are shown. (author)

  9. Determination of kinetic parameters for 123-I thyroid uptake in healthy Japanese

    Science.gov (United States)

    Kusuhara, Hiroyuki; Maeda, Kazuya

    2017-09-01

    The purpose of this study was to compare the kinetic parameters for iodide thyroid accumulation in Japanese today with previously reported values. We determined the thyroid uptake of 123-I at 24 hours after the oral administration in healthy male Japanese without any diet restriction. The mean value was 16.1±5.4%, which was similar or rather lower than those previously reported in Japan (1958-1972). Kinetic model analysis was conducted to obtain the clearance for thyroid uptake from the blood circulation. The thyroid uptake clearance of 123-I was 0.540±0.073 ml/min, which was almost similar to those reported previously. There is no obvious difference in the thyroid uptake for 24 hours, and kinetic parameters in healthy Japanese for these 50 years. The fraction of distributed to the thyroid gland is lower than the ICRP reference man, and such difference must be taken into consideration to estimate the radiation exposure upon Fukushima accident in Japan.

  10. Kinetic Parameters during Bis-GMA and TEGDMA Monomer Polymerization by ATR-FTIR: The Influence of Photoinitiator and Light Curing Source

    Directory of Open Access Journals (Sweden)

    Aline B. Denis

    2016-01-01

    Full Text Available This study aimed to analyze the kinetic parameters of two monomers using attenuated total reflectance Fourier transform infrared (ATR-FTIR: 2,2-bis-[4-(2-hydroxy-3-methacryloxypropyl-1-oxy-phenyl] propane (Bis-GMA and triethylene glycol dimethacrylate (TEGDMA. The following were calculated to evaluate the kinetic parameters: maximum conversion rate (Rpmax, time at the maximum polymerization rate (tmax, conversion at Rpmax, and total conversion recorded at the maximum conversion point after 300 s. Camphorquinone (CQ and phenyl propanedione (PPD were used in this study as photoinitiators, whereas N,N-dimethyl-p-toluidine (DMPT amine was used as a coinitiator. LED apparatus and halogen lamp were used in turn to evaluate the effect that light source had on the monomer kinetics. The mass concentration ratio for the three resin preparations was 0.7 : 0.3 for Bis-GMA and TEGDMA: R1 (CQ + DMPT, R2 (PPD + DMPT, and R3 (PPD + CQ + DMPT. The PPD association with the CQ photoinitiator altered the polymerization kinetics compared to a resin containing only the CQ photoinitiator. The light sources exhibited no significant differences for tmax of R1 and R3. Resins containing only the PPD initiator exhibited a higher tmax than those containing only CQ. However, the Rpmax decreased for resins containing the PPD photoinitiator.

  11. Effects of reaction-kinetic parameters on modeling reaction pathways in GaN MOVPE growth

    Science.gov (United States)

    Zhang, Hong; Zuo, Ran; Zhang, Guoyi

    2017-11-01

    In the modeling of the reaction-transport process in GaN MOVPE growth, the selections of kinetic parameters (activation energy Ea and pre-exponential factor A) for gas reactions are quite uncertain, which cause uncertainties in both gas reaction path and growth rate. In this study, numerical modeling of the reaction-transport process for GaN MOVPE growth in a vertical rotating disk reactor is conducted with varying kinetic parameters for main reaction paths. By comparisons of the molar concentrations of major Ga-containing species and the growth rates, the effects of kinetic parameters on gas reaction paths are determined. The results show that, depending on the values of the kinetic parameters, the gas reaction path may be dominated either by adduct/amide formation path, or by TMG pyrolysis path, or by both. Although the reaction path varies with different kinetic parameters, the predicted growth rates change only slightly because the total transport rate of Ga-containing species to the substrate changes slightly with reaction paths. This explains why previous authors using different chemical models predicted growth rates close to the experiment values. By varying the pre-exponential factor for the amide trimerization, it is found that the more trimers are formed, the lower the growth rates are than the experimental value, which indicates that trimers are poor growth precursors, because of thermal diffusion effect caused by high temperature gradient. The effective order for the contribution of major species to growth rate is found as: pyrolysis species > amides > trimers. The study also shows that radical reactions have little effect on gas reaction path because of the generation and depletion of H radicals in the chain reactions when NH2 is considered as the end species.

  12. Point Genetics: A New Concept to Assess Neutron Kinetics

    International Nuclear Information System (INIS)

    Klein Meulekamp, R.; Kuijper, J.C.; Schikorr, M.

    2005-01-01

    Point genetic equations are introduced. These equations are similar to the well-known point kinetic equations but characterize and couple individual fission generations in subcritical systems. Point genetic equations are able to describe dynamic behavior of source-driven subcritical systems on shorter timescales than is possible with point kinetic equations. Point genetic parameters can be used as a first-order characterization of the system and can be calculated using standard Monte Carlo techniques; the implementation in other calculational schemes seems straightforward. A Godiva sphere is considered to show the applicability of the point genetic equations in describing a detector response on short timescales. For this system the point genetic parameters are calculated and compared with reference calculations. Typical dynamic source behavior is considered by studying a transient in which the neutron source energy decreases from 20 to 1 MeV. For all cases studied, the point genetic equations are compared to full space-time kinetic solutions, and it is shown that point genetics performs well

  13. Application of nomograms to calculate radiography parameters

    International Nuclear Information System (INIS)

    Voronin, S.A.; Orlov, K.P.; Petukhov, V.I.; Khomchenkov, Yu.F.; Meshalkin, I.A.; Grachev, A.V.; Akopov, V.'S.; Majorov, A.N.

    1979-01-01

    The method of calculation of radiography parameters with the help of nomograms usable for practical application under laboratory and industrial conditions, is proposed. Nomograms are developed for determining the following parameters: relative sensitivity, general non-definition of image, permissible difference of blackening density between the centre and edge of the picture (ΔD), picture contrast, focus distance, item thickness, radiation-physical parameter, dose build up factor, groove dimension and error. An experimental test has been carried out for evaluating the results, obtained with nomograms. Steel items from 25 to 79 mm thick have been subjected to testing 191 Ir has been used as a source. Comparison of calculation and experimental results has shown the discrepancy in sensitivity values, caused by ΔDsub(min) apriori index and the error, inherent in graphical plotting on a nomogram

  14. Determination Of Enzyme Kinetic Parameters on Sago Starch Hydrolysis By Linearized Graphical Methods

    International Nuclear Information System (INIS)

    Lai, L.W.; Teo, C.L.; Suzana Wahidin; Mohamad Suffian Mohamad Annuar

    2014-01-01

    Amyloglucosidase (E.C. 3.2.1.3) from Aspergillus niger was used to hydrolyze the sago (Metro xylon sagu) starch into reducing sugars. The experiment was conducted at constant temperature, 55 degree Celsius; pH, 4.5 and enzyme amount, 0.2 U/ ml, respectively. In this investigation, the substrate concentration was varied ranging from 1.0 - 7.0 g/ L. The obtained data were then fixed into linearized plots namely Lineweaver-Burk and Langmuir models to calculate enzyme kinetic parameters, K m and V max . Both of the K m and V max (mM, mol/min) values from each plot were: Lineweaver-Burk (26.53, 3.31) and Langmuir (13.52, 2.35). Among the linearized models, K m and V max values acquired from Langmuir plot was chosen. (author)

  15. Investigation of thermoluminescence and kinetic parameters of CaMgB{sub 2}O{sub 5}: Dy{sup 3+} nanophosphor

    Energy Technology Data Exchange (ETDEWEB)

    Manhas, M. [School of Physics, Shri Mata Vaishno Devi University, Katra-182320 J& K (India); Kumar, Vinay, E-mail: vinaykumar@smvdu.ac.in [School of Physics, Shri Mata Vaishno Devi University, Katra-182320 J& K (India); Department of Physics, University of the Free State, P.O. Box 339, Bloemfontein ZA9300 (South Africa); Ntwaeaborwa, O. M.; Swart, H. C. [Department of Physics, University of the Free State, P.O. Box 339, Bloemfontein ZA9300 (South Africa)

    2016-05-06

    In this paper, thermoluminescence (TL) properties of Dy{sup 3+} (1.5 mol %) doped CaMgB{sub 2}O{sub 5} nanophosphor after being exposed to ultraviolet (UV) radiations (λ=254nm) were investigated. In UV exposed samples, the thermoluminescence glow curve consists of a broad glow peak located at 380 K with a small shoulder at 507 K. A shift in glow peak temperature from 367 K to 380 K after the UV exposure for 80 min was observed, which clearly shows that glow peaks follow the second order kinetics. The TL intensity of the peaks increases with an increase in the exposure time of UV rays (10-180 min). The TL Anal program was used to analyze the glow curve. The kinetic parameters such as activation energy (E), the frequency factor (s) and the order of kinetics (b) were calculated for CaMgB{sub 2}O{sub 5}: Dy{sup 3+} nanophosphors.

  16. A Study on the Pyrolysis of Peanut Shells at Different Isothermal Conditions and Determination of the Kinetic Parameters

    Directory of Open Access Journals (Sweden)

    Şeyda Taşar

    2015-12-01

    Full Text Available The pyrolysis process, which is applied for the aim of producing energy and raw materials which are implemented for the chemical industry from biomass sources, is a thermal conversion process. Determination of the pyrolysis kinetic parameters are important In order to suitable equipment and process design. In this target, in the study the pyrolysis of peanut shells was conducted in a muffle furnace at static atmosphere with temperatures ranging from 300-700 °C. The effects of various parameters on the rate of thermal decomposition rate and the solid yield were determined. The parameters of interest were temperature 300-700 °C, particle size 4-50 mesh, pelletizing, and pelletizing pressure 1.103-5.103 kgf/cm2. Regression coefficients for the total decomposition step were obtained using the thermographs were obtained as a result of the pyrolysis of the peanut shells, and 20 different theoretical model equations that represented the degradation by the Coast-Redfern method. According to regression coefficients of the theoretical model equations, we determined the kinetic model that best represented the degradation. Using this model to represent the degradation, the activation energy (Ea and Arhenius frequency factor ln(A for the total reaction were calculated to be 38.245 kJ/mol and 8.124, respectively.

  17. Assessing the impact of azadirachtin application to soil on ureaseactivity and its kinetic parameters

    OpenAIRE

    KIZILKAYA, RIDVAN; SAMOFALOVA, IRAIDA; MUDRYKH, NATALYA; MİKAİLSOY, FARİZ; AKÇA, İZZET; SUSHKOVA, SVETLANA; MINKINA, TATIANA

    2015-01-01

    Abstract: The kinetic parameters of soil urease have attracted considerable attention; however, little information is available on its kinetic parameters and behaviors in response to azadirachtin application to the soil. A short (14-day) field experiment was conducted using Albic Luvisol soil (loam texture; pH 6.70; electrical conductivity 0.81 dS m-1; CaCO3 content 0.04%; total organic carbon 0.99%) as the experimental soil in the Perm region of the Russian Federation to investigate the effe...

  18. Comparison of morphological and kinetic parameters in distinction of benign and malignant breast lesions in dynamic contrast enhanced magnetic resonance imaging

    Directory of Open Access Journals (Sweden)

    Direnç Özlem Aksoy

    2013-12-01

    Full Text Available Objective: To evaluate the value of qualitative morphologicaland kinetic data and quantitative kinetic data indistinction of malignancy in dynamic contrast enhancedmagnetic resonance imaging (DCE-MRI of the breast.Methods: DCE-MRIs of 49 subjects were evaluated.Morphological and contrast enhancement parameters of95 lesions were recorded in these subjects. Post-contrastkinetic behavior of these lesions were also investigated.Among the quantitative parameters, relative enhancements(E1, E2, Epeak, time-to-peak (Tpeak, slope ofcurve (Slope, signal enhancement ratio (SER, and maximumintensity time ratio (MITR were calculated. Theseresults were compared with the pathological diagnosis.Results: Spiculated contour (100%, rim enhancement(97.87%, irregular shape (95.74%, and irregular margin(91.49% were the most specific morphological featuresof malignancy in mass lesions. In non-mass lesions, focalzone (91.49% was the most specific feature of malignancy.74.5% of the benign lesions showed type 1, 77.1%of the malignant lesions showed type 2 and 3 curves accordingto the kinetic curve evaluation. All quantitativeparameters except Epeak were found to be statisticallysignificant in distinction of malignancy.Conclusion: None of the morphological features of thebenign lesions were found to be significantly specific.More specific features can be described for malignantlesions. Early behavior of the kinetic curve is not usefulfor diagnosis of malignancy but the intermediate and latebehavior gives useful information. Quantitative data involvedin this study might be promising.Key words: Morphological, kinetic, breast lesions, magnetic resonance imaging, dynamic

  19. Activity, stability and kinetic parameters for α-chymotrypsin catalysed ...

    Indian Academy of Sciences (India)

    Three typical surfactants were selected based on their head group charges: a non-ionic surfactant Triton-X 100 and two zwitterionic sulphobetaine surfactants of the type CH2+1N+Me2 (CH2)3 SO 3 − (n = 10; SB3-10, n = 16; SB3-16). The kinetic parameters (such as cat and M) of the -CT at 27°C were determined ...

  20. Promoting Graphical Thinking: Using Temperature and a Graphing Calculator to Teach Kinetics Concepts

    Science.gov (United States)

    Cortes-Figueroa, Jose E.; Moore-Russo, Deborah A.

    2004-01-01

    A combination of graphical thinking with chemical and physical theories in the classroom is encouraged by using the Calculator-Based Laboratory System (CBL) with a temperature sensor and graphing calculator. The theory of first-order kinetics is logically explained with the aid of the cooling or heating of the metal bead of the CBL's temperature…

  1. Kinetic parameters of silicon uptake by rice cultivars

    Directory of Open Access Journals (Sweden)

    Priscila Oliveira Martins

    2012-02-01

    Full Text Available Silicon is considered an important chemical element for rice, because it can improve tolerance to biotic and abiotic stress. However, in many situations no positive effect of silicon was observed, probably due to genetic factors. The objective of this research was to monitor Si uptake kinetics and identify responses of rice cultivars in terms of Si uptake capacity and use. The experiment was carried out in a greenhouse of the São Paulo State University (UNESP, Brazil. The experiment was arranged in a completely randomized, factorial design with three replications. that consisted of two rice cultivars and two Si levels. Kinetic parameters (Vmax, Km, and Cmin, root morphology variables, dry matter yield, Si accumulation and levels in shoots and roots, uptake efficiency, utilization efficiency, and root/shoot ratio were evaluated. Higher Si concentrations in the nutrient solution did not increase rice dry matter. The development of the low-affinity silicon uptake system of the rice cultivar 'Caiapó' was better than of 'Maravilha'.

  2. Two-detector cross-correlation noise technique and its application in measuring reactor kinetic parameters

    International Nuclear Information System (INIS)

    Lu Guiping; Peng Feng; Yi Jieyi

    1988-01-01

    The two-detector cross-correlation noise technique is a new method of measuring reactor kinetic parameters developed in the sixties. It has the advantages of non-perturbation in core, high signal to noise ratio, low space dependent effect, and simple and reliable in measurement. A special set of cross-correlation analyzer has been prepared for measuring kinetic parameters of several reactor assemblies, such as the High Flux Engineering Test Reactor, its zero power mock up facility and a low enriched uranium light water lattice zero power facility

  3. Microbial Communities Model Parameter Calculation for TSPA/SR

    International Nuclear Information System (INIS)

    D. Jolley

    2001-01-01

    This calculation has several purposes. First the calculation reduces the information contained in ''Committed Materials in Repository Drifts'' (BSC 2001a) to useable parameters required as input to MING V1.O (CRWMS M and O 1998, CSCI 30018 V1.O) for calculation of the effects of potential in-drift microbial communities as part of the microbial communities model. The calculation is intended to replace the parameters found in Attachment II of the current In-Drift Microbial Communities Model revision (CRWMS M and O 2000c) with the exception of Section 11-5.3. Second, this calculation provides the information necessary to supercede the following DTN: M09909SPAMING1.003 and replace it with a new qualified dataset (see Table 6.2-1). The purpose of this calculation is to create the revised qualified parameter input for MING that will allow ΔG (Gibbs Free Energy) to be corrected for long-term changes to the temperature of the near-field environment. Calculated herein are the quadratic or second order regression relationships that are used in the energy limiting calculations to potential growth of microbial communities in the in-drift geochemical environment. Third, the calculation performs an impact review of a new DTN: M00012MAJIONIS.000 that is intended to replace the currently cited DTN: GS9809083 12322.008 for water chemistry data used in the current ''In-Drift Microbial Communities Model'' revision (CRWMS M and O 2000c). Finally, the calculation updates the material lifetimes reported on Table 32 in section 6.5.2.3 of the ''In-Drift Microbial Communities'' AMR (CRWMS M and O 2000c) based on the inputs reported in BSC (2001a). Changes include adding new specified materials and updating old materials information that has changed

  4. Kinetic parameter estimation and fluctuation analysis of CO at SnO 2 single nanowires

    KAUST Repository

    Tulzer, Gerhard

    2013-07-12

    In this work, we present calculated numerical values for the kinetic parameters governing adsorption/desorption processes of carbon monoxide at tin dioxide single-nanowire gas sensors. The response of such sensors to pulses of 50 ppm carbon monoxide in nitrogen is investigated at different temperatures to extract the desired information. A rate-equation approach is used to model the reaction kinetics, which results in the problem of determining coefficients in a coupled system of nonlinear ordinary differential equations. The numerical values are computed by inverse-modeling techniques and are then used to simulate the sensor response. With our model, the dynamic response of the sensor due to the gas-surface interaction can be studied in order to find the optimal setup for detection, which is an important step towards selectivity of these devices. We additionally investigate the noise in the current through the nanowire and its changes due to the presence of carbon monoxide in the sensor environment. Here, we propose the use of a wavelet transform to decompose the signal and analyze the noise in the experimental data. This method indicates that some fluctuations are specific for the gas species investigated here. © 2013 IOP Publishing Ltd.

  5. Kinetic parameter estimation and fluctuation analysis of CO at SnO 2 single nanowires

    KAUST Repository

    Tulzer, Gerhard; Baumgartner, Stefan; Brunet, Elise; Mutinati, Giorgio C; Steinhauer, Stephan; Kö ck, Anton; Barbano, Paolo E; Heitzinger, Clemens

    2013-01-01

    In this work, we present calculated numerical values for the kinetic parameters governing adsorption/desorption processes of carbon monoxide at tin dioxide single-nanowire gas sensors. The response of such sensors to pulses of 50 ppm carbon monoxide in nitrogen is investigated at different temperatures to extract the desired information. A rate-equation approach is used to model the reaction kinetics, which results in the problem of determining coefficients in a coupled system of nonlinear ordinary differential equations. The numerical values are computed by inverse-modeling techniques and are then used to simulate the sensor response. With our model, the dynamic response of the sensor due to the gas-surface interaction can be studied in order to find the optimal setup for detection, which is an important step towards selectivity of these devices. We additionally investigate the noise in the current through the nanowire and its changes due to the presence of carbon monoxide in the sensor environment. Here, we propose the use of a wavelet transform to decompose the signal and analyze the noise in the experimental data. This method indicates that some fluctuations are specific for the gas species investigated here. © 2013 IOP Publishing Ltd.

  6. Calculation of driling and blasting parameters in blasting performance

    OpenAIRE

    Dambov, Risto; Karanakova Stefanovska, Radmila; Dambov, Ilija

    2015-01-01

    In all mining technology drilling and blasting parameters and works are one of the main production processes at each mine. The parameters of drilling and blasting and explosives consumption per ton of blasting mass are define economic indicators of any blasting no matter for what purpose and where mining is performed. The calculation of rock blasting should always have in mind that the methodology of calculation of all drilling and blasting parameters in blasting performance are performed for...

  7. EQUILIBRIUM AND KINETIC PARAMETERS FOR THE SEDIMENTATION OF TARTARIC SALTS IN YOUNG WINES

    Directory of Open Access Journals (Sweden)

    Ecaterina Covaci

    2015-06-01

    Full Text Available In young wines potassium hydrogen tartrate is always present in supersaturating concentration and crystallizes spontaneously. The aim of this study is to obtain kinetic parameters, which explain the stability of young wines during the stabilization treatments. The kinetic and equilibrium parameters were evaluated and discussed. The heating factor has a decisive influence on the reaction rate of potassium hydrogen tartrate precipitation in young wines. An increase of temperature leads to a decrease in efficiency of stabilization process and to an enhancement of the activation energy of the system. According to the obtained experimental results, the optimal regime for production and stabilization of young wines has been established.

  8. Kinetic parameters of nitridation of molybdenum and niobium alloys with various structure states

    International Nuclear Information System (INIS)

    Solodkin, G.A.; Bulgach, A.A.; Likhacheva, T.E.

    1985-01-01

    Effect of preliminary plastic strain under rolling on kinetic parameters of nitridation of VN-2AEh, VN-3 niobium alloys and molybdenum alloy with hafnium is investigated. Extreme character of dependence of kinetic parameters of nitridation on the degree of reduction under rolling is determined. Preliminary plastic strain at negligible reduction is shown to accelerate growth of the zone of internal nitridation and decelerates growth of the nitride zone. Nitrogen atom removal from the surface to the centre is retarded at the increase of the degree of reduction up to 50% and higher. The degree of deformations is the higher the lower nitridation temperature is

  9. Calculating Parameters of Chip Formation and Cutting Forces of Plastic Materials

    Directory of Open Access Journals (Sweden)

    S. V Grubyi

    2017-01-01

    Full Text Available In addition to the kinematics and geometric parameters of the tool, parameters of chip formation and cutting forces lay the groundwork for theoretical analysis of various types of machining.The objective of research activities is to develop a calculation technique to evaluate parameters of chip formation and cutting forces when machining such plastic materials as structural carbon and alloy steels, and aluminum alloys. The subject of research activities is directly a cutting process, algorithms and calculation methods in the field under consideration. A theoretical (calculated method to analyse parameters was used. The results of qualitative and quantitative calculations were compared with the published experimental data.As to the chip formation and cutting forces, a model with a single shear plane is analyzed, which allows a quantitative evaluation of the parameters and of the process factors. Modern domestic and foreign authors’ publications of cutting metals use this model on the reasonable grounds. The novelty of the proposed technique is that calculation of parameters and cutting forces does not require experimental research activities and is based on using the known mechanical characteristics of machined and tool materials. The calculation results are parameters, namely the shear angle, velocity factor of the chip, relative shift, friction coefficient at the front surface, cutting forces, etc. Calculation of these parameters will allow us to pass on to the thermo-physical problems, analysis of tool wear and durability, accuracy, quality and performance rate.The sequence of calculations is arranged in the developed user program in an algorithmic programming language with results in graphical or tabulated view. The calculation technique is a structural component of the cutting theory and is to be used in conducting research activities and engineering calculations in this subject area.

  10. First lattice calculation of the B-meson binding and kinetic energies

    CERN Document Server

    Crisafulli, M; Martinelli, G; Sachrajda, Christopher T C

    1995-01-01

    We present the first lattice calculation of the B-meson binding energy \\labar and of the kinetic energy -\\lambda_1/2 m_Q of the heavy-quark inside the pseudoscalar B-meson. This calculation has required the non-perturbative subtraction of the power divergences present in matrix elements of the Lagrangian operator \\bar h D_4 h and of the kinetic energy operator \\bar h \\vec D^2 h. The non-perturbative renormalisation of the relevant operators has been implemented by imposing suitable renormalisation conditions on quark matrix elements, in the Landau gauge. Our numerical results have been obtained from several independent numerical simulations at \\beta=6.0 and 6.2, and using, for the meson correlators, the results obtained by the APE group at the same values of \\beta. Our best estimate, obtained by combining results at different values of \\beta, is \\labar =190 \\err{50}{30} MeV. For the \\overline{MS} running mass, we obtain \\overline {m}_b(\\overline {m}_b) =4.17 \\pm 0.06 GeV, in reasonable agreement with previous...

  11. Kinetic parameters of grinding media in ball mills with various liner design and mill speed based on DEM modeling

    Science.gov (United States)

    Khakhalev, P. A.; Bogdanov, VS; Kovshechenko, V. M.

    2018-03-01

    The article presents analysis of the experiments in the ball mill of 0.5x0.3 m with four different liner types based on DEM modeling. The numerical experiment always complements laboratory research and allow obtaining high accuracy output data. An important property of the numerical experiment is the possibility of visualization of the results. The EDEM software allows calculating trajectory of the grinding bodies and kinetic parameters of each ball for the relative mill speed and the different types of mill’s liners.

  12. Reactor theory and power reactors. 1. Calculational methods for reactors. 2. Reactor kinetics

    International Nuclear Information System (INIS)

    Henry, A.F.

    1980-01-01

    Various methods for calculation of neutron flux in power reactors are discussed. Some mathematical models used to describe transients in nuclear reactors and techniques for the reactor kinetics' relevant equations solution are also presented

  13. Computer-Aided Construction of Chemical Kinetic Models

    Energy Technology Data Exchange (ETDEWEB)

    Green, William H. [Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)

    2014-12-31

    The combustion chemistry of even simple fuels can be extremely complex, involving hundreds or thousands of kinetically significant species. The most reasonable way to deal with this complexity is to use a computer not only to numerically solve the kinetic model, but also to construct the kinetic model in the first place. Because these large models contain so many numerical parameters (e.g. rate coefficients, thermochemistry) one never has sufficient data to uniquely determine them all experimentally. Instead one must work in “predictive” mode, using theoretical rather than experimental values for many of the numbers in the model, and as appropriate refining the most sensitive numbers through experiments. Predictive chemical kinetics is exactly what is needed for computer-aided design of combustion systems based on proposed alternative fuels, particularly for early assessment of the value and viability of proposed new fuels before those fuels are commercially available. This project was aimed at making accurate predictive chemical kinetics practical; this is a challenging goal which requires a range of science advances. The project spanned a wide range from quantum chemical calculations on individual molecules and elementary-step reactions, through the development of improved rate/thermo calculation procedures, the creation of algorithms and software for constructing and solving kinetic simulations, the invention of methods for model-reduction while maintaining error control, and finally comparisons with experiment. Many of the parameters in the models were derived from quantum chemistry calculations, and the models were compared with experimental data measured in our lab or in collaboration with others.

  14. Uncertainty for calculating transport on Titan: A probabilistic description of bimolecular diffusion parameters

    Science.gov (United States)

    Plessis, S.; McDougall, D.; Mandt, K.; Greathouse, T.; Luspay-Kuti, A.

    2015-11-01

    Bimolecular diffusion coefficients are important parameters used by atmospheric models to calculate altitude profiles of minor constituents in an atmosphere. Unfortunately, laboratory measurements of these coefficients were never conducted at temperature conditions relevant to the atmosphere of Titan. Here we conduct a detailed uncertainty analysis of the bimolecular diffusion coefficient parameters as applied to Titan's upper atmosphere to provide a better understanding of the impact of uncertainty for this parameter on models. Because temperature and pressure conditions are much lower than the laboratory conditions in which bimolecular diffusion parameters were measured, we apply a Bayesian framework, a problem-agnostic framework, to determine parameter estimates and associated uncertainties. We solve the Bayesian calibration problem using the open-source QUESO library which also performs a propagation of uncertainties in the calibrated parameters to temperature and pressure conditions observed in Titan's upper atmosphere. Our results show that, after propagating uncertainty through the Massman model, the uncertainty in molecular diffusion is highly correlated to temperature and we observe no noticeable correlation with pressure. We propagate the calibrated molecular diffusion estimate and associated uncertainty to obtain an estimate with uncertainty due to bimolecular diffusion for the methane molar fraction as a function of altitude. Results show that the uncertainty in methane abundance due to molecular diffusion is in general small compared to eddy diffusion and the chemical kinetics description. However, methane abundance is most sensitive to uncertainty in molecular diffusion above 1200 km where the errors are nontrivial and could have important implications for scientific research based on diffusion models in this altitude range.

  15. Neutronic parameters calculations of a CANDU reactor

    International Nuclear Information System (INIS)

    Zamonsky, G.

    1991-01-01

    Neutronic calculations that reproduce in a simplified way some aspects of a CANDU reactor design were performed. Starting from some prefixed reactor parameters, cylindrical and uniform iron adjuster rods were designed. An appropriate refueling scheme was established, defininig in a 2 zones model their dimensions and exit burnups. The calculations have been done using the codes WIMS-D4 (cell), SNOD (reactivity device simulations) and PUMA (reactor). Comparing with similar calculations done with codes and models usually employed for CANDU design, it is concluded that the models and methods used are appropriate. (Author) [es

  16. Injection Molding Parameters Calculations by Using Visual Basic (VB) Programming

    Science.gov (United States)

    Tony, B. Jain A. R.; Karthikeyen, S.; Alex, B. Jeslin A. R.; Hasan, Z. Jahid Ali

    2018-03-01

    Now a day’s manufacturing industry plays a vital role in production sectors. To fabricate a component lot of design calculation has to be done. There is a chance of human errors occurs during design calculations. The aim of this project is to create a special module using visual basic (VB) programming to calculate injection molding parameters to avoid human errors. To create an injection mold for a spur gear component the following parameters have to be calculated such as Cooling Capacity, Cooling Channel Diameter, and Cooling Channel Length, Runner Length and Runner Diameter, Gate Diameter and Gate Pressure. To calculate the above injection molding parameters a separate module has been created using Visual Basic (VB) Programming to reduce the human errors. The outcome of the module dimensions is the injection molding components such as mold cavity and core design, ejector plate design.

  17. Compost mixture influence of interactive physical parameters on microbial kinetics and substrate fractionation.

    Science.gov (United States)

    Mohajer, Ardavan; Tremier, Anne; Barrington, Suzelle; Teglia, Cecile

    2010-01-01

    Composting is a feasible biological treatment for the recycling of wastewater sludge as a soil amendment. The process can be optimized by selecting an initial compost recipe with physical properties that enhance microbial activity. The present study measured the microbial O(2) uptake rate (OUR) in 16 sludge and wood residue mixtures to estimate the kinetics parameters of maximum growth rate mu(m) and rate of organic matter hydrolysis K(h), as well as the initial biodegradable organic matter fractions present. The starting mixtures consisted of a wide range of moisture content (MC), waste to bulking agent (BA) ratio (W/BA ratio) and BA particle size, which were placed in a laboratory respirometry apparatus to measure their OUR over 4 weeks. A microbial model based on the activated sludge process was used to calculate the kinetic parameters and was found to adequately reproduced OUR curves over time, except for the lag phase and peak OUR, which was not represented and generally over-estimated, respectively. The maximum growth rate mu(m), was found to have a quadratic relationship with MC and a negative association with BA particle size. As a result, increasing MC up to 50% and using a smaller BA particle size of 8-12 mm was seen to maximize mu(m). The rate of hydrolysis K(h) was found to have a linear association with both MC and BA particle size. The model also estimated the initial readily biodegradable organic matter fraction, MB(0), and the slower biodegradable matter requiring hydrolysis, MH(0). The sum of MB(0) and MH(0) was associated with MC, W/BA ratio and the interaction between these two parameters, suggesting that O(2) availability was a key factor in determining the value of these two fractions. The study reinforced the idea that optimization of the physical characteristics of a compost mixture requires a holistic approach. 2010 Elsevier Ltd. All rights reserved.

  18. A calculation of internal kinetic energy and polarizability of compressed argon from the statistical atom model

    NARCIS (Netherlands)

    Seldam, C.A. ten; Groot, S.R. de

    1952-01-01

    From Jensen's and Gombás' modification of the statistical Thomas-Fermi atom model, a theory for compressed atoms is developed by changing the boundary conditions. Internal kinetic energy and polarizability of argon are calculated as functions of pressure. At 1000 atm. an internal kinetic energy of

  19. Reactor kinetics calculated in the summation method and key delayed-neutron data

    International Nuclear Information System (INIS)

    Oyamatsu, Kazuhiro

    2001-01-01

    The point-reactor kinetics after a step reactivity insertion to a critical condition is solved directly form fission-product (FP) data (fission yields and decay data) for the first time. Numerical calculations are performed with the FP data in ENDF/B-VI. The inhour equation obtained directly from the FP data shows a different behavior at long periods from the one obtained from Tuttle's six-group parameter sets. The behavior is quite similar to the one obtained from the six-group parameter sets in ENDF/B-VI, that were obtained from FP data in a preliminary version of ENDF/B-VI. To identify the erroneous FP data, we examine the asymptotic form of the inhour equation at an infinitely long period. It is found that the most important precursors for long reactor periods are found 137 I, 88 Br and 87 Br. They cover more than 60% of the reactivity. It is remarkable that 137 I alone covers 30-50% depending on the fissioning system. In addition to the three precursors, 136 Te is found a candidate precursor for the peculiarity from the time dependence of the delayed neutron activity. It is recommended that the precision of their Pn values should be improved experimentally. For 137 I, 88 Br, and 87 Br, the relative uncertainty, dPn/Pn, should be decreased down to 2% and for 136 Te to 5%. (author)

  20. Calculation of Optical Parameters of Liquid Crystals

    Science.gov (United States)

    Kumar, A.

    2007-12-01

    Validation of a modified four-parameter model describing temperature effect on liquid crystal refractive indices is being reported in the present article. This model is based upon the Vuks equation. Experimental data of ordinary and extraordinary refractive indices for two liquid crystal samples MLC-9200-000 and MLC-6608 are used to validate the above-mentioned theoretical model. Using these experimental data, birefringence, order parameter, normalized polarizabilities, and the temperature gradient of refractive indices are determined. Two methods: directly using birefringence measurements and using Haller's extrapolation procedure are adopted for the determination of order parameter. Both approches of order parameter calculation are compared. The temperature dependences of all these parameters are discussed. A close agreement between theory and experiment is obtained.

  1. A novel optimization approach to estimating kinetic parameters of the enzymatic hydrolysis of corn stover

    Directory of Open Access Journals (Sweden)

    Fenglei Qi

    2016-01-01

    Full Text Available Enzymatic hydrolysis is an integral step in the conversion of lignocellulosic biomass to ethanol. The conversion of cellulose to fermentable sugars in the presence of inhibitors is a complex kinetic problem. In this study, we describe a novel approach to estimating the kinetic parameters underlying this process. This study employs experimental data measuring substrate and enzyme loadings, sugar and acid inhibitions for the production of glucose. Multiple objectives to minimize the difference between model predictions and experimental observations are developed and optimized by adopting multi-objective particle swarm optimization method. Model reliability is assessed by exploring likelihood profile in each parameter space. Compared to previous studies, this approach improved the prediction of sugar yields by reducing the mean squared errors by 34% for glucose and 2.7% for cellobiose, suggesting improved agreement between model predictions and the experimental data. Furthermore, kinetic parameters such as K2IG2, K1IG, K2IG, K1IA, and K3IA are identified as contributors to the model non-identifiability and wide parameter confidence intervals. Model reliability analysis indicates possible ways to reduce model non-identifiability and tighten parameter confidence intervals. These results could help improve the design of lignocellulosic biorefineries by providing higher fidelity predictions of fermentable sugars under inhibitory conditions.

  2. Comparison of one-dimensional and point kinetics for various light water reactor transients

    International Nuclear Information System (INIS)

    Naser, J.A.; Lin, C.; Gose, G.C.; McClure, J.A.; Matsui, Y.

    1985-01-01

    The object of this paper is to compare the results from the three kinetics options: 1) point kinetics; 2) point kinetics by not changing the shape function; and 3) one-dimensional kinetics for various transients on both BWRs and PWRs. A systematic evaluation of the one-dimensional kinetics calculation and its alternatives is performed to determine the status of these models and to identify additional development work. In addition, for PWRs, the NODEP-2 - NODETRAN and SIMULATE - SIMTRAN paths for calculating kinetics parameters are compared. This type of comparison has not been performed before and is needed to properly evaluate the RASP methodology of which these codes are a part. It should be noted that RASP is in its early pre-release stage and this is the first serious attempt to examine the consistency between these two similar but different methods of generating physics parameters for the RETRAN computer code

  3. TU-C-12A-11: Comparisons Between Cu-ATSM PET and DCE-CT Kinetic Parameters in Canine Sinonasal Tumors

    Energy Technology Data Exchange (ETDEWEB)

    La Fontaine, M; Bradshaw, T [University of Wisconsin, Madison, Wisconsin (United States); Kubicek, L [University of Florida, Gainesville, Florida (United States); Forrest, L [University of Wisconsin-Madison, Madison, Wisconsin (United States); Jeraj, R [University of Wisconsin, Madison, WI (United States)

    2014-06-15

    Purpose: Regions of poor perfusion within tumors may be associated with higher hypoxic levels. This study aimed to test this hypothesis by comparing measurements of hypoxia from Cu-ATSM PET to vasculature kinetic parameters from DCE-CT kinetic analysis. Methods: Ten canine patients with sinonasal tumors received one Cu-ATSM PET/CT scan and three DCE-CT scans prior to treatment. Cu-ATSM PET/CT and DCE-CT scans were registered and resampled to matching voxel dimensions. Kinetic analysis was performed on DCE-CT scans and for each patient, the resulting kinetic parameter values from the three DCE-CT scans were averaged together. Cu-ATSM SUVs were spatially correlated (r{sub spatial}) on a voxel-to-voxel basis against the following DCE-CT kinetic parameters: transit time (t{sub 1}), blood flow (F), vasculature fraction (v{sub 1}), and permeability (PS). In addition, whole-tumor comparisons were performed by correlating (r{sub ROI}) the mean Cu-ATSM SUV (SUV{sub mean}) with median kinetic parameter values. Results: The spatial correlations (r{sub spatial}) were poor and ranged from -0.04 to 0.21 for all kinetic parameters. These low spatial correlations may be due to high variability in the DCE-CT kinetic parameter voxel values between scans. In our hypothesis, t{sub 1} was expected to have a positive correlation, while F was expected to have a negative correlation to hypoxia. However, in wholetumor analysis the opposite was found for both t{sub 1} (r{sub ROI} = -0.25) and F (r{sub ROI} = 0.56). PS and v{sub 1} may depict angiogenic responses to hypoxia and found positive correlations to Cu-ATSM SUV for PS (r{sub ROI} = 0.41), and v{sub 1} (r{sub ROI} = 0.57). Conclusion: Low spatial correlations were found between Cu-ATSM uptake and DCE-CT vasculature parameters, implying that poor perfusion is not associated with higher hypoxic regions. Across patients, the most hypoxic tumors tended to have higher blood flow values, which is contrary to our initial hypothesis. Funding

  4. 3D nozzle flow simulations including state-to-state kinetics calculation

    Science.gov (United States)

    Cutrone, L.; Tuttafesta, M.; Capitelli, M.; Schettino, A.; Pascazio, G.; Colonna, G.

    2014-12-01

    In supersonic and hypersonic flows, thermal and chemical non-equilibrium is one of the fundamental aspects that must be taken into account for the accurate characterization of the plasma. In this paper, we present an optimized methodology to approach plasma numerical simulation by state-to-state kinetics calculations in a fully 3D Navier-Stokes CFD solver. Numerical simulations of an expanding flow are presented aimed at comparing the behavior of state-to-state chemical kinetics models with respect to the macroscopic thermochemical non-equilibrium models that are usually used in the numerical computation of high temperature hypersonic flows. The comparison is focused both on the differences in the numerical results and on the computational effort associated with each approach.

  5. Mathematical modeling of CA125 kinetics in recurrent ovarian cancer (ROC) patients treated with chemotherapy and predictive value of early modeled kinetic parameters in CALYPSO trial: A GCIG study

    DEFF Research Database (Denmark)

    You, Benoit; Colomban, Olivier; Heywood, Mark

    2011-01-01

    Background: Although CA125 kinetic profiles may be related with relapse risk in ovarian cancer patients treated with chemotherapy, no reliable kinetic parameters have been reported. Mathematical modeling may help describe CA125 decline dynamically and determine parameters predictive of relapse....... Methods: Data from CALYPSO phase III trial data comparing 2 carboplatin-based regimens in ROC patients were analyzed. Based on population kinetic approach (Monolix software), a semi-mechanistic model was used to fit serum log (CA125) concentration-time profiles with following parameters: tumor growth rate...... the first 50 treatment days were tested regarding progression free survival (PFS) against other reported prognostic factors using Cox-models: treatment arm; platinum-free interval (PFI), metastatic site number, largest tumor size, elevated WBC and measurable disease. Results: The CA125 kinetics from 898...

  6. WIPP Compliance Certification Application calculations parameters. Part 1: Parameter development

    International Nuclear Information System (INIS)

    Howarth, S.M.

    1997-01-01

    The Waste Isolation Pilot Plant (WIPP) in southeast New Mexico has been studied as a transuranic waste repository for the past 23 years. During this time, an extensive site characterization, design, construction, and experimental program was completed, which provided in-depth understanding of the dominant processes that are most likely to influence the containment of radionuclides for 10,000 years. Nearly 1,500 parameters were developed using information gathered from this program; the parameters were input to numerical models for WIPP Compliance Certification Application (CCA) Performance Assessment (PA) calculations. The CCA probabilistic codes frequently require input values that define a statistical distribution for each parameter. Developing parameter distributions begins with the assignment of an appropriate distribution type, which is dependent on the type, magnitude, and volume of data or information available. The development of the parameter distribution values may require interpretation or statistical analysis of raw data, combining raw data with literature values, scaling of lab or field data to fit code grid mesh sizes, or other transformation. Parameter development and documentation of the development process were very complicated, especially for those parameters based on empirical data; they required the integration of information from Sandia National Laboratories (SNL) code sponsors, parameter task leaders (PTLs), performance assessment analysts (PAAs), and experimental principal investigators (PIs). This paper, Part 1 of two parts, contains a discussion of the parameter development process, roles and responsibilities, and lessons learned. Part 2 will discuss parameter documentation, traceability and retrievability, and lessons learned from related audits and reviews

  7. Sensitivity of NTCP parameter values against a change of dose calculation algorithm

    International Nuclear Information System (INIS)

    Brink, Carsten; Berg, Martin; Nielsen, Morten

    2007-01-01

    Optimization of radiation treatment planning requires estimations of the normal tissue complication probability (NTCP). A number of models exist that estimate NTCP from a calculated dose distribution. Since different dose calculation algorithms use different approximations the dose distributions predicted for a given treatment will in general depend on the algorithm. The purpose of this work is to test whether the optimal NTCP parameter values change significantly when the dose calculation algorithm is changed. The treatment plans for 17 breast cancer patients have retrospectively been recalculated with a collapsed cone algorithm (CC) to compare the NTCP estimates for radiation pneumonitis with those obtained from the clinically used pencil beam algorithm (PB). For the PB calculations the NTCP parameters were taken from previously published values for three different models. For the CC calculations the parameters were fitted to give the same NTCP as for the PB calculations. This paper demonstrates that significant shifts of the NTCP parameter values are observed for three models, comparable in magnitude to the uncertainties of the published parameter values. Thus, it is important to quote the applied dose calculation algorithm when reporting estimates of NTCP parameters in order to ensure correct use of the models

  8. Improved stiffness confinement method within the coarse mesh finite difference framework for efficient spatial kinetics calculation

    International Nuclear Information System (INIS)

    Park, Beom Woo; Joo, Han Gyu

    2015-01-01

    Highlights: • The stiffness confinement method is combined with multigroup CMFD with SENM nodal kernel. • The systematic methods for determining the shape and amplitude frequencies are established. • Eigenvalue problems instead of fixed source problems are solved in the transient calculation. • It is demonstrated that much larger time step sizes can be used with the SCM–CMFD method. - Abstract: An improved Stiffness Confinement Method (SCM) is formulated within the framework of the coarse mesh finite difference (CMFD) formulation for efficient multigroup spatial kinetics calculation. The algorithm for searching for the amplitude frequency that makes the dynamic eigenvalue unity is developed in a systematic way along with the methods for determining the shape and precursor frequencies. A nodal calculation scheme is established within the CMFD framework to incorporate the cross section changes due to thermal feedback and dynamic frequency update. The conditional nodal update scheme is employed such that the transient calculation is performed mostly with the CMFD formulation and the CMFD parameters are conditionally updated by intermittent nodal calculations. A quadratic representation of amplitude frequency is introduced as another improvement. The performance of the improved SCM within the CMFD framework is assessed by comparing the solution accuracy and computing times for the NEACRP control rod ejection benchmark problems with those obtained with the Crank–Nicholson method with exponential transform (CNET). It is demonstrated that the improved SCM is beneficial for large time step size calculations with stability and accuracy enhancement

  9. Modelling and parallel calculation of a kinetic boundary layer

    International Nuclear Information System (INIS)

    Perlat, Jean Philippe

    1998-01-01

    This research thesis aims at addressing reliability and cost issues in the calculation by numeric simulation of flows in transition regime. The first step has been to reduce calculation cost and memory space for the Monte Carlo method which is known to provide performance and reliability for rarefied regimes. Vector and parallel computers allow this objective to be reached. Here, a MIMD (multiple instructions, multiple data) machine has been used which implements parallel calculation at different levels of parallelization. Parallelization procedures have been adapted, and results showed that parallelization by calculation domain decomposition was far more efficient. Due to reliability issue related to the statistic feature of Monte Carlo methods, a new deterministic model was necessary to simulate gas molecules in transition regime. New models and hyperbolic systems have therefore been studied. One is chosen which allows thermodynamic values (density, average velocity, temperature, deformation tensor, heat flow) present in Navier-Stokes equations to be determined, and the equations of evolution of thermodynamic values are described for the mono-atomic case. Numerical resolution of is reported. A kinetic scheme is developed which complies with the structure of all systems, and which naturally expresses boundary conditions. The validation of the obtained 14 moment-based model is performed on shock problems and on Couette flows [fr

  10. Kinetic calculation of plasma deposition in castellated tile gaps

    International Nuclear Information System (INIS)

    Dejarnac, R.; Gunn, J.P.

    2007-01-01

    Plasma-facing divertors and limiters are armoured with castellated tiles to withstand intense heat fluxes. Recent experimental studies show that a non-negligible amount of deuterium is deposited in the gaps between tiles. We present here a numerical study of plasma deposition in this critical region. For this purpose we have developed a particle-in-cell code with realistic boundary conditions determined from kinetic calculations. We find a strong asymmetry of plasma deposition into the gaps. A significant fraction of the plasma influx is expelled from the gap to be deposited on the leading edge of the downstream tile

  11. Understanding system dynamics of an adaptive enzyme network from globally profiled kinetic parameters.

    Science.gov (United States)

    Chiang, Austin W T; Liu, Wei-Chung; Charusanti, Pep; Hwang, Ming-Jing

    2014-01-15

    A major challenge in mathematical modeling of biological systems is to determine how model parameters contribute to systems dynamics. As biological processes are often complex in nature, it is desirable to address this issue using a systematic approach. Here, we propose a simple methodology that first performs an enrichment test to find patterns in the values of globally profiled kinetic parameters with which a model can produce the required system dynamics; this is then followed by a statistical test to elucidate the association between individual parameters and different parts of the system's dynamics. We demonstrate our methodology on a prototype biological system of perfect adaptation dynamics, namely the chemotaxis model for Escherichia coli. Our results agreed well with those derived from experimental data and theoretical studies in the literature. Using this model system, we showed that there are motifs in kinetic parameters and that these motifs are governed by constraints of the specified system dynamics. A systematic approach based on enrichment statistical tests has been developed to elucidate the relationships between model parameters and the roles they play in affecting system dynamics of a prototype biological network. The proposed approach is generally applicable and therefore can find wide use in systems biology modeling research.

  12. Calculation of the level density parameter using semi-classical approach

    International Nuclear Information System (INIS)

    Canbula, B.; Babacan, H.

    2011-01-01

    The level density parameters (level density parameter a and energy shift δ) for back-shifted Fermi gas model have been determined for 1136 nuclei for which complete level scheme is available. Level density parameter is calculated by using the semi-classical single particle level density, which can be obtained analytically through spherical harmonic oscillator potential. This method also enables us to analyze the Coulomb potential's effect on the level density parameter. The dependence of this parameter on energy has been also investigated. Another parameter, δ, is determined by fitting of the experimental level scheme and the average resonance spacings for 289 nuclei. Only level scheme is used for optimization procedure for remaining 847 nuclei. Level densities for some nuclei have been calculated by using these parameter values. Obtained results have been compared with the experimental level scheme and the resonance spacing data.

  13. Kinetics of Slurry Phase Fischer-Tropsch Synthesis

    Energy Technology Data Exchange (ETDEWEB)

    Dragomir B. Bukur; Gilbert F. Froment; Tomasz Olewski; Lech Nowicki; Madhav Nayapati

    2006-12-31

    The overall objective of this project is to develop a comprehensive kinetic model for slurry-phase Fischer-Tropsch synthesis (FTS) employing iron-based catalysts. This model will be validated with experimental data obtained in a stirred-tank slurry reactor (STSR) over a wide range of process conditions. Three STSR tests of the Ruhrchemie LP 33/81 catalyst were conducted to collect data on catalyst activity and selectivity under 25 different sets of process conditions. The observed decrease in 1-olefin content and increase in 2-olefin and n-paraffin contents with the increase in conversion are consistent with a concept that 1-olefins participate in secondary reactions (e.g. 1-olefin hydrogenation, isomerization and readsorption), whereas 2-olefins and n-paraffins are formed in these reactions. Carbon number product distribution showed an increase in chain growth probability with increase in chain length. Vapor-liquid equilibrium calculations were made to check validity of the assumption that the gas and liquid phases are in equilibrium during FTS in the STSR. Calculated vapor phase compositions were in excellent agreement with experimental values from the STSR under reaction conditions. Discrepancies between the calculated and experimental values for the liquid-phase composition (for some of the experimental data) are ascribed to experimental errors in the amount of wax collected from the reactor, and the relative amounts of hydrocarbon wax and Durasyn 164 oil (start-up fluid) in the liquid samples. Kinetic parameters of four kinetic models (Lox and Froment, 1993b; Yang et al., 2003; Van der Laan and Beenackers, 1998, 1999; and an extended kinetic model of Van der Laan and Beenackers) were estimated from experimental data in the STSR tests. Two of these kinetic models (Lox and Froment, 1993b; Yang et al., 2003) can predict a complete product distribution (inorganic species and hydrocarbons), whereas the kinetic model of Van der Laan and Beenackers (1998, 1999) can

  14. Kinetics of Slurry Phase Fischer-Tropsch Synthesis

    International Nuclear Information System (INIS)

    Dragomir B. Bukur; Gilbert F. Froment; Tomasz Olewski; Lech Nowicki; Madhav Nayapati

    2006-01-01

    The overall objective of this project is to develop a comprehensive kinetic model for slurry-phase Fischer-Tropsch synthesis (FTS) employing iron-based catalysts. This model will be validated with experimental data obtained in a stirred-tank slurry reactor (STSR) over a wide range of process conditions. Three STSR tests of the Ruhrchemie LP 33/81 catalyst were conducted to collect data on catalyst activity and selectivity under 25 different sets of process conditions. The observed decrease in 1-olefin content and increase in 2-olefin and n-paraffin contents with the increase in conversion are consistent with a concept that 1-olefins participate in secondary reactions (e.g. 1-olefin hydrogenation, isomerization and readsorption), whereas 2-olefins and n-paraffins are formed in these reactions. Carbon number product distribution showed an increase in chain growth probability with increase in chain length. Vapor-liquid equilibrium calculations were made to check validity of the assumption that the gas and liquid phases are in equilibrium during FTS in the STSR. Calculated vapor phase compositions were in excellent agreement with experimental values from the STSR under reaction conditions. Discrepancies between the calculated and experimental values for the liquid-phase composition (for some of the experimental data) are ascribed to experimental errors in the amount of wax collected from the reactor, and the relative amounts of hydrocarbon wax and Durasyn 164 oil (start-up fluid) in the liquid samples. Kinetic parameters of four kinetic models (Lox and Froment, 1993b; Yang et al., 2003; Van der Laan and Beenackers, 1998, 1999; and an extended kinetic model of Van der Laan and Beenackers) were estimated from experimental data in the STSR tests. Two of these kinetic models (Lox and Froment, 1993b; Yang et al., 2003) can predict a complete product distribution (inorganic species and hydrocarbons), whereas the kinetic model of Van der Laan and Beenackers (1998, 1999) can

  15. Closed-form kinetic parameter estimation solution to the truncated data problem

    International Nuclear Information System (INIS)

    Zeng, Gengsheng L; Kadrmas, Dan J; Gullberg, Grant T

    2010-01-01

    In a dedicated cardiac single photon emission computed tomography (SPECT) system, the detectors are focused on the heart and the background is truncated in the projections. Reconstruction using truncated data results in biased images, leading to inaccurate kinetic parameter estimates. This paper has developed a closed-form kinetic parameter estimation solution to the dynamic emission imaging problem. This solution is insensitive to the bias in the reconstructed images that is caused by the projection data truncation. This paper introduces two new ideas: (1) it includes background bias as an additional parameter to estimate, and (2) it presents a closed-form solution for compartment models. The method is based on the following two assumptions: (i) the amount of the bias is directly proportional to the truncated activities in the projection data, and (ii) the background concentration is directly proportional to the concentration in the myocardium. In other words, the method assumes that the image slice contains only the heart and the background, without other organs, that the heart is not truncated, and that the background radioactivity is directly proportional to the radioactivity in the blood pool. As long as the background activity can be modeled, the proposed method is applicable regardless of the number of compartments in the model. For simplicity, the proposed method is presented and verified using a single compartment model with computer simulations using both noiseless and noisy projections.

  16. Displacement cascades and defect annealing in tungsten, Part III: The sensitivity of cascade annealing in tungsten to the values of kinetic parameters

    Energy Technology Data Exchange (ETDEWEB)

    Nandipati, Giridhar; Setyawan, Wahyu; Heinisch, Howard L.; Roche, Kenneth J.; Kurtz, Richard J.; Wirth, Brian D.

    2015-07-01

    Object kinetic Monte Carlo (OKMC) simulations have been performed to investigate various aspects of cascade aging in bulk tungsten and to determine the sensitivity of the results to the kinetic parameters. The primary focus is on how the kinetic parameters affect the initial recombination of defects in the first few ns of a simulation. The simulations were carried out using the object kinetic Monte Carlo (OKMC) code KSOME (kinetic simulations of microstructure evolution), using a database of cascades obtained from results of molecular dynamics (MD) simulations at various primary knock-on atom (PKA) energies and directions at temperatures of 300, 1025 and 2050 K. The OKMC model was parameterized using defect migration barriers and binding energies from ab initio calculations. Results indicate that, due to the disparate mobilities of SIA and vacancy clusters in tungsten, annealing is dominated by SIA migration even at temperatures as high as 2050 K. For 100 keV cascades initiated at 300 K recombination is dominated by annihilation of large defect clusters. But for all other PKA energies and temperatures most of the recombination is due to the migration and rotation of small SIA clusters, while all the large SIA clusters escape the cubic simulation cell. The inverse U-shape behavior exhibited by the annealing efficiency as a function of temperature curve, especially for cascades of large PKA energies, is due to asymmetry in SIA and vacancy clustering assisted by the large difference in mobilities of SIAs and vacancies. This annealing behavior is unaffected by the dimensionality of SIA migration persists over a broad range of relative mobilities of SIAs and vacancies.

  17. The nonlocal electron kinetics for a low-pressure glow discharge dusty plasma

    Science.gov (United States)

    Liang, Yonggan; Wang, Ying; Li, Hui; Tian, Ruihuan; Yuan, Chengxun; Kudryavtsev, A. A.; Rabadanov, K. M.; Wu, Jian; Zhou, Zhongxiang; Tian, Hao

    2018-05-01

    The nonlocal electron kinetic model based on the Boltzmann equation is developed in low-pressure argon glow discharge dusty plasmas. The additional electron-dust elastic and inelastic collision processes are considered when solving the kinetic equation numerically. The orbital motion limited theory and collision enhanced collection approximation are employed to calculate the dust surface potential. The electron energy distribution function (EEDF), effective electron temperature Teff, and dust surface potential are investigated under different plasma and dust conditions by solving the Boltzmann and the dust charging current balance equations self-consistently. A comparison of the calculation results obtained from nonlocal and local kinetic models is made. It is shown that the appearance of dust particles leads to a deviation of the EEDF from its original profile for both nonlocal and local kinetic models. With the increase in dust density and size, the effective electron temperature and dust surface potential decrease due to the high-energy electron loss on the dust surface. Meanwhile, the nonlocal and local results differ much from each other under the same calculation condition. It is concluded that, for low-pressure (PR ≤ 1 cm*Torr) glow discharge dusty plasmas, the existence of dust particles will amplify the difference of local and nonlocal EEDFs, which makes the local kinetic model more improper to determine the main parameters of the positive column. The nonlocal kinetic model should be used for the calculation of the EEDFs and dusty plasma parameters.

  18. Dispersion parameters: impact on calculated reactor accident consequences

    Energy Technology Data Exchange (ETDEWEB)

    Aldrich, D.C.

    1979-01-01

    Much attention has been given in recent years to the modeling of the atmospheric dispersion of pollutants released from a point source. Numerous recommendations have been made concerning the choice of appropriate dispersion parameters. A series of calculations has been performed to determine the impact of these recommendations on the calculated consequences of large reactor accidents. Results are presented and compared in this paper.

  19. Point kinetics equations for subcritical systems based on the importance function associated to an external neutron source

    International Nuclear Information System (INIS)

    Carvalho Gonçalves, Wemerson de; Martinez, Aquilino Senra; Carvalho da Silva, Fernando

    2015-01-01

    Highlights: • We define the new function importance. • We calculate the kinetic parameters Λ, β, Γ and Q to: 0.95, 0.96, 0.97, 0.98 and 0.99. • We compared the results with those obtained by the main important functions. • We found that the calculated kinetic parameters are physically consistent. - Abstract: This paper aims to determine the parameters for a new set of equations of point kinetic subcritical systems, based on the concept of importance of Heuristic Generalized Perturbation Theory (HGPT). The importance function defined here is related to both the subcriticality and the external neutron source worth (which keeps the system at steady state). The kinetic parameters defined in this work are compared with the corresponding parameters when adopting the importance functions proposed by Gandini and Salvatores (2002), Dulla et al. (2006) and Nishihara et al. (2003). Furthermore, the point kinetics equations developed here are solved for two different transients, considering the parameters obtained with different importance functions. The results collected show that there is a similar behavior of the solution of the point kinetics equations, when used with the parameters obtained by the importance functions proposed by Gandini and Salvatores (2002) and Dulla et al. (2006), specially near the criticality. However, this is not verified as the system gets farther from criticality

  20. Description of the CAREM Reactor Neutronic Calculation Codes

    International Nuclear Information System (INIS)

    Villarino, Eduardo; Hergenreder, Daniel

    2000-01-01

    In this work is described the neutronic calculation line used to design the CAREM reactor.A description of the codes used and the interfaces between the different programs are presented.Both, the normal calculation line and the alternative or verification calculation line are included.The calculation line used to obtain the kinetics parameters (effective delayed-neutron fraction and prompt-neutron lifetime) is also included

  1. Modeling the degradation kinetics of ascorbic acid.

    Science.gov (United States)

    Peleg, Micha; Normand, Mark D; Dixon, William R; Goulette, Timothy R

    2018-06-13

    Most published reports on ascorbic acid (AA) degradation during food storage and heat preservation suggest that it follows first-order kinetics. Deviations from this pattern include Weibullian decay, and exponential drop approaching finite nonzero retention. Almost invariably, the degradation rate constant's temperature-dependence followed the Arrhenius equation, and hence the simpler exponential model too. A formula and freely downloadable interactive Wolfram Demonstration to convert the Arrhenius model's energy of activation, E a , to the exponential model's c parameter, or vice versa, are provided. The AA's isothermal and non-isothermal degradation can be simulated with freely downloadable interactive Wolfram Demonstrations in which the model's parameters can be entered and modified by moving sliders on the screen. Where the degradation is known a priori to follow first or other fixed order kinetics, one can use the endpoints method, and in principle the successive points method too, to estimate the reaction's kinetic parameters from considerably fewer AA concentration determinations than in the traditional manner. Freeware to do the calculations by either method has been recently made available on the Internet. Once obtained in this way, the kinetic parameters can be used to reconstruct the entire degradation curves and predict those at different temperature profiles, isothermal or dynamic. Comparison of the predicted concentration ratios with experimental ones offers a way to validate or refute the kinetic model and the assumptions on which it is based.

  2. Ammonium removal from aqueous solutions by clinoptilolite: determination of isotherm and thermodynamic parameters and comparison of kinetics by the double exponential model and conventional kinetic models.

    Science.gov (United States)

    Tosun, Ismail

    2012-03-01

    The adsorption isotherm, the adsorption kinetics, and the thermodynamic parameters of ammonium removal from aqueous solution by using clinoptilolite in aqueous solution was investigated in this study. Experimental data obtained from batch equilibrium tests have been analyzed by four two-parameter (Freundlich, Langmuir, Tempkin and Dubinin-Radushkevich (D-R)) and four three-parameter (Redlich-Peterson (R-P), Sips, Toth and Khan) isotherm models. D-R and R-P isotherms were the models that best fitted to experimental data over the other two- and three-parameter models applied. The adsorption energy (E) from the D-R isotherm was found to be approximately 7 kJ/mol for the ammonium-clinoptilolite system, thereby indicating that ammonium is adsorbed on clinoptilolite by physisorption. Kinetic parameters were determined by analyzing the nth-order kinetic model, the modified second-order model and the double exponential model, and each model resulted in a coefficient of determination (R(2)) of above 0.989 with an average relative error lower than 5%. A Double Exponential Model (DEM) showed that the adsorption process develops in two stages as rapid and slow phase. Changes in standard free energy (∆G°), enthalpy (∆H°) and entropy (∆S°) of ammonium-clinoptilolite system were estimated by using the thermodynamic equilibrium coefficients.

  3. Ammonium Removal from Aqueous Solutions by Clinoptilolite: Determination of Isotherm and Thermodynamic Parameters and Comparison of Kinetics by the Double Exponential Model and Conventional Kinetic Models

    Directory of Open Access Journals (Sweden)

    İsmail Tosun

    2012-03-01

    Full Text Available The adsorption isotherm, the adsorption kinetics, and the thermodynamic parameters of ammonium removal from aqueous solution by using clinoptilolite in aqueous solution was investigated in this study. Experimental data obtained from batch equilibrium tests have been analyzed by four two-parameter (Freundlich, Langmuir, Tempkin and Dubinin-Radushkevich (D-R and four three-parameter (Redlich-Peterson (R-P, Sips, Toth and Khan isotherm models. D-R and R-P isotherms were the models that best fitted to experimental data over the other two- and three-parameter models applied. The adsorption energy (E from the D-R isotherm was found to be approximately 7 kJ/mol for the ammonium-clinoptilolite system, thereby indicating that ammonium is adsorbed on clinoptilolite by physisorption. Kinetic parameters were determined by analyzing the nth-order kinetic model, the modified second-order model and the double exponential model, and each model resulted in a coefficient of determination (R2 of above 0.989 with an average relative error lower than 5%. A Double Exponential Model (DEM showed that the adsorption process develops in two stages as rapid and slow phase. Changes in standard free energy (∆G°, enthalpy (∆H° and entropy (∆S° of ammonium-clinoptilolite system were estimated by using the thermodynamic equilibrium coefficients.

  4. Parameter analysis calculation on characteristics of portable FAST reactor

    International Nuclear Information System (INIS)

    Otsubo, Akira; Kowata, Yasuki

    1998-06-01

    In this report, we performed a parameter survey analysis by using the analysis program code STEDFAST (Space, TErrestrial and Deep sea FAST reactor-gas turbine system). Concerning the deep sea fast reactor-gas turbine system, calculations with many variable parameters were performed on the base case of a NaK cooled reactor of 40 kWe. We aimed at total equipment weight and surface area necessary to remove heat from the system as important values of the characteristics of the system. Electric generation power and the material of a pressure hull were specially influential for the weight. The electric generation power, reactor outlet/inlet temperatures, a natural convection heat transfer coefficient of sea water were specially influential for the area. Concerning the space reactor-gas turbine system, the calculations with the variable parameters of compressor inlet temperature, reactor outlet/inlet temperatures and turbine inlet pressure were performed on the base case of a Na cooled reactor of 40 kWe. The first and the second variable parameters were influential for the total equipment weight of the important characteristic of the system. Concerning the terrestrial fast reactor-gas turbine system, the calculations with the variable parameters of heat transferred pipe number in a heat exchanger to produce hot water of 100degC for cogeneration, compressor stage number and the kind of primary coolant material were performed on the base case of a Pb cooled reactor of 100 MWt. In the comparison of calculational results for Pb and Na of primary coolant material, the primary coolant weight flow rate was naturally large for the former case compared with for the latter case because density is very different between them. (J.P.N.)

  5. Thermal oxidative degradation kinetics of agricultural residues using distributed activation energy model and global kinetic model.

    Science.gov (United States)

    Ren, Xiu'e; Chen, Jianbiao; Li, Gang; Wang, Yanhong; Lang, Xuemei; Fan, Shuanshi

    2018-08-01

    The study concerned the thermal oxidative degradation kinetics of agricultural residues, peanut shell (PS) and sunflower shell (SS). The thermal behaviors were evaluated via thermogravimetric analysis and the kinetic parameters were determined by using distributed activation energy model (DAEM) and global kinetic model (GKM). Results showed that thermal oxidative decomposition of two samples processed in three zones; the ignition, burnout, and comprehensive combustibility between two agricultural residues were of great difference; and the combustion performance could be improved by boosting heating rate. The activation energy ranges calculated by the DAEM for the thermal oxidative degradation of PS and SS were 88.94-145.30 kJ mol -1 and 94.86-169.18 kJ mol -1 , respectively. The activation energy obtained by the GKM for the oxidative decomposition of hemicellulose and cellulose was obviously lower than that for the lignin oxidation at identical heating rate. To some degree, the determined kinetic parameters could acceptably simulate experimental data. Copyright © 2018 Elsevier Ltd. All rights reserved.

  6. Chemical kinetic functional sensitivity analysis: Elementary sensitivities

    International Nuclear Information System (INIS)

    Demiralp, M.; Rabitz, H.

    1981-01-01

    Sensitivity analysis is considered for kinetics problems defined in the space--time domain. This extends an earlier temporal Green's function method to handle calculations of elementary functional sensitivities deltau/sub i//deltaα/sub j/ where u/sub i/ is the ith species concentration and α/sub j/ is the jth system parameter. The system parameters include rate constants, diffusion coefficients, initial conditions, boundary conditions, or any other well-defined variables in the kinetic equations. These parameters are generally considered to be functions of position and/or time. Derivation of the governing equations for the sensitivities and the Green's funciton are presented. The physical interpretation of the Green's function and sensitivities is given along with a discussion of the relation of this work to earlier research

  7. Reflected kinetics model for nuclear space reactor kinetics and control scoping calculations

    Energy Technology Data Exchange (ETDEWEB)

    Washington, K.E.

    1986-05-01

    The objective of this research is to develop a model that offers an alternative to the point kinetics (PK) modelling approach in the analysis of space reactor kinetics and control studies. Modelling effort will focus on the explicit treatment of control drums as reactivity input devices so that the transition to automatic control can be smoothly done. The proposed model is developed for the specific integration of automatic control and the solution of the servo mechanism problem. The integration of the kinetics model with an automatic controller will provide a useful tool for performing space reactor scoping studies for different designs and configurations. Such a tool should prove to be invaluable in the design phase of a space nuclear system from the point of view of kinetics and control limitations.

  8. Reflected kinetics model for nuclear space reactor kinetics and control scoping calculations

    International Nuclear Information System (INIS)

    Washington, K.E.

    1986-05-01

    The objective of this research is to develop a model that offers an alternative to the point kinetics (PK) modelling approach in the analysis of space reactor kinetics and control studies. Modelling effort will focus on the explicit treatment of control drums as reactivity input devices so that the transition to automatic control can be smoothly done. The proposed model is developed for the specific integration of automatic control and the solution of the servo mechanism problem. The integration of the kinetics model with an automatic controller will provide a useful tool for performing space reactor scoping studies for different designs and configurations. Such a tool should prove to be invaluable in the design phase of a space nuclear system from the point of view of kinetics and control limitations

  9. Sampling of Stochastic Input Parameters for Rockfall Calculations and for Structural Response Calculations Under Vibratory Ground Motion

    International Nuclear Information System (INIS)

    M. Gross

    2004-01-01

    The purpose of this scientific analysis is to define the sampled values of stochastic (random) input parameters for (1) rockfall calculations in the lithophysal and nonlithophysal zones under vibratory ground motions, and (2) structural response calculations for the drip shield and waste package under vibratory ground motions. This analysis supplies: (1) Sampled values of ground motion time history and synthetic fracture pattern for analysis of rockfall in emplacement drifts in nonlithophysal rock (Section 6.3 of ''Drift Degradation Analysis'', BSC 2004 [DIRS 166107]); (2) Sampled values of ground motion time history and rock mechanical properties category for analysis of rockfall in emplacement drifts in lithophysal rock (Section 6.4 of ''Drift Degradation Analysis'', BSC 2004 [DIRS 166107]); (3) Sampled values of ground motion time history and metal to metal and metal to rock friction coefficient for analysis of waste package and drip shield damage to vibratory motion in ''Structural Calculations of Waste Package Exposed to Vibratory Ground Motion'' (BSC 2004 [DIRS 167083]) and in ''Structural Calculations of Drip Shield Exposed to Vibratory Ground Motion'' (BSC 2003 [DIRS 163425]). The sampled values are indices representing the number of ground motion time histories, number of fracture patterns and rock mass properties categories. These indices are translated into actual values within the respective analysis and model reports or calculations. This report identifies the uncertain parameters and documents the sampled values for these parameters. The sampled values are determined by GoldSim V6.04.007 [DIRS 151202] calculations using appropriate distribution types and parameter ranges. No software development or model development was required for these calculations. The calculation of the sampled values allows parameter uncertainty to be incorporated into the rockfall and structural response calculations that support development of the seismic scenario for the

  10. Determination of kinetic parameters of heterogeneous isotopic exchange reaction

    International Nuclear Information System (INIS)

    Huang, Ting-Chia; Tsai, Fuan-Nan

    1977-01-01

    A mathematical model has been proposed for a heterogeneous isotopic exchange reaction which involves film diffusion, surface chemical reaction and intraparticle diffusion. The exchange equation to predict the exchange fraction as a function of time for the spherical particles immersed in a solution of finite volume has been derived. The relations between the exchange fraction and dimensionless time are plotted with xi(=ak sub(f)/KD sub(e)), xi 1 (=K 1 a 2 /D sub(e)) and final fractional uptake as parameters. From the values of the kinetic parameters xi and xi 1 , the relative importance of each limiting step is discussed. Experimental results of the isotopic exchange reaction of calcium ion in both system CaCO 3 (s)/Ca 2+ (aq) and system calcium type resin Dowex 50W-X8/Ca 2+ (aq) are coincident with the theoretical equation proposed in this study. (auth.)

  11. Calculating the mounting parameters for Taylor Spatial Frame correction using computed tomography.

    Science.gov (United States)

    Kucukkaya, Metin; Karakoyun, Ozgur; Armagan, Raffi; Kuzgun, Unal

    2011-07-01

    The Taylor Spatial Frame uses a computer program-based six-axis deformity analysis. However, there is often a residual deformity after the initial correction, especially in deformities with a rotational component. This problem can be resolved by recalculating the parameters and inputting all new deformity and mounting parameters. However, this may necessitate repeated x-rays and delay treatment. We believe that error in the mounting parameters is the main reason for most residual deformities. To prevent these problems, we describe a new calculation technique for determining the mounting parameters that uses computed tomography. This technique is especially advantageous for deformities with a rotational component. Using this technique, exact calculation of the mounting parameters is possible and the residual deformity and number of repeated x-rays can be minimized. This new technique is an alternative method to accurately calculating the mounting parameters.

  12. Kinetic Model of Growth of Arthropoda Populations

    Science.gov (United States)

    Ershov, Yu. A.; Kuznetsov, M. A.

    2018-05-01

    Kinetic equations were derived for calculating the growth of crustacean populations ( Crustacea) based on the biological growth model suggested earlier using shrimp ( Caridea) populations as an example. The development cycle of successive stages for populations can be represented in the form of quasi-chemical equations. The kinetic equations that describe the development cycle of crustaceans allow quantitative prediction of the development of populations depending on conditions. In contrast to extrapolation-simulation models, in the developed kinetic model of biological growth the kinetic parameters are the experimental characteristics of population growth. Verification and parametric identification of the developed model on the basis of the experimental data showed agreement with experiment within the error of the measurement technique.

  13. Using X-Ray portable fluorescence for alloy contents measurement of steel pipe and optimization of Flow Accelerated Corrosion kinetic calculation with BRT-CICEROTM

    International Nuclear Information System (INIS)

    Trevin, Stephane; Moutrille, Marie-Pierre; Qiu, Gonghao; Miller, Cecile; Mellin, Nicolas

    2012-09-01

    EDF has developed during these 15 last years a software called BRT-CICERO TM for the surveillance of the secondary piping system of its Pressurized Water Reactors (PWRs). This software enables the operator to calculate the FAC wear rates taking into account all the influencing parameters such as: pipe isometrics, chromium content of the steel, chemical conditioning and operating parameters of the secondary circuit (temperature, pressure, etc.). This is a major tool for the operators to organize the maintenance and to plan the inspections. In the framework of the French pressure vessel law issued on March 15, 2000, the software BRT-CICERO TM has been recognized by the French authority for the FAC surveillance on the secondary pressure piping lines of the EDF 58 NPPs. It takes advantage of the experience feedback of EDF's fleet, of the R and D improvements (especially from the laboratory tests conducted on EDF's CIROCO loop) and is frequently updated. Kinetics calculations made with BRT-CICERO TM are highly dependent of chromium, copper and molybdenum contents of steel. These values are measured on site by X-ray portable fluorescence. EDF elaborated a measurement procedure with a validation process and verification of the measurement devices using certified blocks standard. This procedure enables EDF and service provider companies to measure more than 6 thousand components per year. These values are input in BRT-CICERO TM and the flow accelerated corrosion kinetic is calculated with a higher accuracy than before alloy contents measurement. The next version of BRT-CICERO will take into account chromium, copper and molybdenum contents. The actual version is using only chromium contents. This paper describes the X-Ray fluorescence and the procedure used at EDF. The advantage and drawbacks of this technique are discussed. According to research and development studies, the future algorithm for FAC calculation with these 3 alloys contents is described. Because of

  14. Calculation of coolant temperature sensitivity related to thermohydraulic parameters

    International Nuclear Information System (INIS)

    Silva, F.C. da; Andrade Lima, F.R. de

    1985-01-01

    It is verified the viability to apply the generalized Perturbation Theory (GPT) in the calculation of sensitivity for thermal-hydraulic problems. It was developed the TEMPERA code in FORTRAN-IV to transient calculations in the axial temperature distribution in a channel of PWR reactor and the associated importance function, as well as effects of variations of thermalhydraulic parameters in the coolant temperature. The results are compared with one which were obtained by direct calculation. (M.C.K.) [pt

  15. Thermodynamic calculations of self- and hetero-diffusion parameters in germanium

    International Nuclear Information System (INIS)

    Saltas, V.; Vallianatos, F.

    2015-01-01

    In the present work, the diffusion coefficients of n- and p-type dopants (P, As, Sb, Al) and self-diffusion in crystalline germanium are calculated from the bulk elastic properties of the host material based on the cBΩ thermodynamic model. The calculated diffusion coefficients as a function of temperature and the activation enthalpies prove to be in full agreement with the reported experimental results. Additional point defect parameters such as activation entropy, activation volume and activation Gibbs free energy are also calculated for each diffusing element. The pressure dependence of self-diffusion coefficients in germanium is also verified at high temperatures (876 K–1086 K), in agreement with reported results ranging from ambient pressure up to 600 MPa and is further calculated at pressures up to 3 GPa, where the phase transition to Ge II occurs. - Highlights: • Calculation of diffusivities of n- and p-type dopants in Ge from elastic properties. • Calculation of point defect parameters according to the cBΩ thermodynamic model. • Prediction of the pressure dependence of self-diffusion coefficients in Ge

  16. Two-order parameters theory of the metal-insulator phase transition kinetics in the magnetic field

    Science.gov (United States)

    Dubovskii, L. B.

    2018-05-01

    The metal-insulator phase transition is considered within the framework of the Ginzburg-Landau approach for the phase transition described with two coupled order parameters. One of the order parameters is the mass density which variation is responsible for the origin of nonzero overlapping of the two different electron bands and the appearance of free electron carriers. This transition is assumed to be a first-order phase one. The free electron carriers are described with the vector-function representing the second-order parameter responsible for the continuous phase transition. This order parameter determines mostly the physical properties of the metal-insulator transition and leads to a singularity of the surface tension at the metal-insulator interface. The magnetic field is involved into the consideration of the system. The magnetic field leads to new singularities of the surface tension at the metal-insulator interface and results in a drastic variation of the phase transition kinetics. A strong singularity in the surface tension results from the Landau diamagnetism and determines anomalous features of the metal-insulator transition kinetics.

  17. KINETIC-J: A computational kernel for solving the linearized Vlasov equation applied to calculations of the kinetic, configuration space plasma current for time harmonic wave electric fields

    Science.gov (United States)

    Green, David L.; Berry, Lee A.; Simpson, Adam B.; Younkin, Timothy R.

    2018-04-01

    We present the KINETIC-J code, a computational kernel for evaluating the linearized Vlasov equation with application to calculating the kinetic plasma response (current) to an applied time harmonic wave electric field. This code addresses the need for a configuration space evaluation of the plasma current to enable kinetic full-wave solvers for waves in hot plasmas to move beyond the limitations of the traditional Fourier spectral methods. We benchmark the kernel via comparison with the standard k →-space forms of the hot plasma conductivity tensor.

  18. Determination of kinetic parameters of 1,3-propanediol fermentation by Clostridium diolis using statistically optimized medium.

    Science.gov (United States)

    Kaur, Guneet; Srivastava, Ashok K; Chand, Subhash

    2012-09-01

    1,3-propanediol (1,3-PD) is a chemical compound of immense importance primarily used as a raw material for fiber and textile industry. It can be produced by the fermentation of glycerol available abundantly as a by-product from the biodiesel plant. The present study was aimed at determination of key kinetic parameters of 1,3-PD fermentation by Clostridium diolis. Initial experiments on microbial growth inhibition were followed by optimization of nutrient medium recipe by statistical means. Batch kinetic data from studies in bioreactor using optimum concentration of variables obtained from statistical medium design was used for estimation of kinetic parameters of 1,3-PD production. Direct use of raw glycerol from biodiesel plant without any pre-treatment for 1,3-PD production using this strain investigated for the first time in this work gave results comparable to commercial glycerol. The parameter values obtained in this study would be used to develop a mathematical model for 1,3-PD to be used as a guide for designing various reactor operating strategies for further improving 1,3-PD production. An outline of protocol for model development has been discussed in the present work.

  19. Higher adsorption capacity of Spirulina platensis alga for Cr(VI) ions removal: parameter optimisation, equilibrium, kinetic and thermodynamic predictions.

    Science.gov (United States)

    Gunasundari, Elumalai; Senthil Kumar, Ponnusamy

    2017-04-01

    This study discusses about the biosorption of Cr(VI) ion from aqueous solution using ultrasonic assisted Spirulina platensis (UASP). The prepared UASP biosorbent was characterised by Fourier transform infrared spectroscopy, X-ray diffraction, Brunauer-Emmet-Teller, scanning electron spectroscopy and energy dispersive X-ray and thermogravimetric analyses. The optimum condition for the maximum removal of Cr(VI) ions for an initial concentration of 50 mg/l by UASP was measured as: adsorbent dose of 1 g/l, pH of 3.0, contact time of 30 min and temperature of 303 K. Adsorption isotherm, kinetics and thermodynamic parameters were calculated. Freundlich model provided the best results for the removal of Cr(VI) ions by UASP. The adsorption kinetics of Cr(VI) ions onto UASP showed that the pseudo-first-order model was well in line with the experimental data. In the thermodynamic study, the parameters like Gibb's free energy, enthalpy and entropy changes were evaluated. This result explains that the adsorption of Cr(VI) ions onto the UASP was exothermic and spontaneous in nature. Desorption of the biosorbent was done using different desorbing agents in which NaOH gave the best result. The prepared material showed higher affinity for the removal of Cr(VI) ions and this may be an alternative material to the existing commercial adsorbents.

  20. Improving estimation of kinetic parameters in dynamic force spectroscopy using cluster analysis

    Science.gov (United States)

    Yen, Chi-Fu; Sivasankar, Sanjeevi

    2018-03-01

    Dynamic Force Spectroscopy (DFS) is a widely used technique to characterize the dissociation kinetics and interaction energy landscape of receptor-ligand complexes with single-molecule resolution. In an Atomic Force Microscope (AFM)-based DFS experiment, receptor-ligand complexes, sandwiched between an AFM tip and substrate, are ruptured at different stress rates by varying the speed at which the AFM-tip and substrate are pulled away from each other. The rupture events are grouped according to their pulling speeds, and the mean force and loading rate of each group are calculated. These data are subsequently fit to established models, and energy landscape parameters such as the intrinsic off-rate (koff) and the width of the potential energy barrier (xβ) are extracted. However, due to large uncertainties in determining mean forces and loading rates of the groups, errors in the estimated koff and xβ can be substantial. Here, we demonstrate that the accuracy of fitted parameters in a DFS experiment can be dramatically improved by sorting rupture events into groups using cluster analysis instead of sorting them according to their pulling speeds. We test different clustering algorithms including Gaussian mixture, logistic regression, and K-means clustering, under conditions that closely mimic DFS experiments. Using Monte Carlo simulations, we benchmark the performance of these clustering algorithms over a wide range of koff and xβ, under different levels of thermal noise, and as a function of both the number of unbinding events and the number of pulling speeds. Our results demonstrate that cluster analysis, particularly K-means clustering, is very effective in improving the accuracy of parameter estimation, particularly when the number of unbinding events are limited and not well separated into distinct groups. Cluster analysis is easy to implement, and our performance benchmarks serve as a guide in choosing an appropriate method for DFS data analysis.

  1. I. Nuclear and neutron matter calculations with isobars. II. A model calculation of Fermi liquid parameters for liquid 3He

    International Nuclear Information System (INIS)

    Ainsworth, T.L.

    1983-01-01

    The Δ(1232) plays an important role in determining the properties of nuclear and neutron matter. The effects of the Δ resonance are incorporated explicitly by using a coupled channel formalism. A method for constraining a lowest order variational calculation, appropriate when nucleon internal degrees of freedom are made explicity, is presented. Different N-N potentials were calculated and fit to phase shift data and deuteron properties. The potentials were constructed to test the relative importance of the Δ resonance on nuclear properties. The symmetry energy and incompressibility of nuclear matter are generally reproduced by this calculation. Neutron matter results lead to appealing neutron star models. Fermi liquid parameters for 3 He are calculated with a model that includes both direct and induced terms. A convenient form of the direct interaction is obtained in terms of the parameters. The form of the direct interaction ensures that the forward scattering sum rule (Pauli principle) is obeyed. The parameters are adjusted to fit the experimentally determined F 0 /sup s/, F 0 /sup a/, and F 1 /sup s/ Landau parameters. Higher order Landau parameters are calculated by the self-consistent solution of the equations; comparison to experiment is good. The model also leads to a preferred value for the effective mass of 3 He. Of the three parameters only one shows any dependence on pressure. An exact sum rule is derived relating this parameter to a specific summation of Landau parameters

  2. Determination of the kinetic parameters of K{sub 2}Y F{sub 5}: Tb; Determinacion de los parametros cineticos de K{sub 2}Y F{sub 5}: Tb

    Energy Technology Data Exchange (ETDEWEB)

    Gallegos, A.A. [CICATA-IPN, Legaria 694, Col. Irrigacion, 11500 Mexico D.F. (Mexico); Khaidukov, N.M. [Kurnakov Institute of General and Inorganic Chemistry, Moscow (Russian Federation); Azorin, J. [UAM-I, 09340 Mexico D.F. (Mexico)

    2005-07-01

    In this work the K{sub 2}Y doped materials with percentages of 0.01 and 0.2 of F{sub 5} and, 0.8 and 0.99 of Tb{sup 3+} were studied to determine the kinetic parameters (activation energy and frequency factor) of TL peaks with the purpose of comparing those sensitive qualities of the materials at the doping with TR and their candidacy for tests of TL dosimetry (linearity of the response with the absorbed dose and the reproducibility of the measures of the dose). The samples were irradiated with a beta source of {sup 90} Sr/{sup 90} Y, to ambient temperature, giving its a dose of 236.6 mGy, later the kinetic parameters with different experimental procedures were determined: isothermal decay to ambient temperature and erased of peaks not desired to greater temperature than the ambient. The glow curves (TL curves) were obtained with an TL analyzer Harshaw 4000, with interface to CPU for the handling of the data of the curves, which were treated with the curve form method and the models of: Chen first approach and Chen modified, corrected Lushchik approach and Grossweiner approach, to calculate the kinetic parameters of the sample. (Author)

  3. Measuring, calculating and estimating PEP's parasitic mode loss parameters

    International Nuclear Information System (INIS)

    Weaver, J.N.

    1981-01-01

    This note discusses various ways the parasitic mode losses from a bunched beam to a vacuum chamber can be measured, calculated or estimated. A listing of the parameter, k, for the various PEP ring components is included. A number of formulas for calculating multiple and single pass losses are discussed and evaluated for several cases. 25 refs., 1 fig., 1 tab

  4. A methodology for modeling photocatalytic reactors for indoor pollution control using previously estimated kinetic parameters

    Energy Technology Data Exchange (ETDEWEB)

    Passalia, Claudio; Alfano, Orlando M. [INTEC - Instituto de Desarrollo Tecnologico para la Industria Quimica, CONICET - UNL, Gueemes 3450, 3000 Santa Fe (Argentina); FICH - Departamento de Medio Ambiente, Facultad de Ingenieria y Ciencias Hidricas, Universidad Nacional del Litoral, Ciudad Universitaria, 3000 Santa Fe (Argentina); Brandi, Rodolfo J., E-mail: rbrandi@santafe-conicet.gov.ar [INTEC - Instituto de Desarrollo Tecnologico para la Industria Quimica, CONICET - UNL, Gueemes 3450, 3000 Santa Fe (Argentina); FICH - Departamento de Medio Ambiente, Facultad de Ingenieria y Ciencias Hidricas, Universidad Nacional del Litoral, Ciudad Universitaria, 3000 Santa Fe (Argentina)

    2012-04-15

    Highlights: Black-Right-Pointing-Pointer Indoor pollution control via photocatalytic reactors. Black-Right-Pointing-Pointer Scaling-up methodology based on previously determined mechanistic kinetics. Black-Right-Pointing-Pointer Radiation interchange model between catalytic walls using configuration factors. Black-Right-Pointing-Pointer Modeling and experimental validation of a complex geometry photocatalytic reactor. - Abstract: A methodology for modeling photocatalytic reactors for their application in indoor air pollution control is carried out. The methodology implies, firstly, the determination of intrinsic reaction kinetics for the removal of formaldehyde. This is achieved by means of a simple geometry, continuous reactor operating under kinetic control regime and steady state. The kinetic parameters were estimated from experimental data by means of a nonlinear optimization algorithm. The second step was the application of the obtained kinetic parameters to a very different photoreactor configuration. In this case, the reactor is a corrugated wall type using nanosize TiO{sub 2} as catalyst irradiated by UV lamps that provided a spatially uniform radiation field. The radiative transfer within the reactor was modeled through a superficial emission model for the lamps, the ray tracing method and the computation of view factors. The velocity and concentration fields were evaluated by means of a commercial CFD tool (Fluent 12) where the radiation model was introduced externally. The results of the model were compared experimentally in a corrugated wall, bench scale reactor constructed in the laboratory. The overall pollutant conversion showed good agreement between model predictions and experiments, with a root mean square error less than 4%.

  5. Fundamentals of 3-D Neutron Kinetics and Current Status

    International Nuclear Information System (INIS)

    Aragones, J.M.

    2008-01-01

    This lecture includes the following topics: 1) A summary of the cell and lattice calculations used to generate the neutron reaction data for neutron kinetics, including the spectral and burnup calculations of LWR cells and fuel assembly lattices, and the main nodal kinetics parameters: mean neutron generation time and delayed neutron fraction; 2) the features of the advanced nodal methods for 3-D LWR core physics, including the treatment of partially inserted control rods, fuel assembly grids, fuel burnup and xenon and samarium transients, and excore detector responses, that are essential for core surveillance, axial offset control and operating transient analysis; 3) the advanced nodal methods for 3-D LWR core neutron kinetics (best estimate safety analysis, real-time simulation); and 4) example applications to 3-D neutron kinetics problems in transient analysis of PWR cores, including model, benchmark and operational transients without, or with simple, thermal-hydraulics feedback.

  6. Synergistic improvement of gas sensing performance by micro-gravimetrically extracted kinetic/thermodynamic parameters

    International Nuclear Information System (INIS)

    Guo, Shuanbao; Xu, Pengcheng; Yu, Haitao; Cheng, Zhenxing; Li, Xinxin

    2015-01-01

    Highlights: • Sensing material can be comprehensively optimized by using gravimetric cantilever. • Kinetic-thermodynamic model parameters are quantitatively extracted by experiment • Sensing-material performance is synergistically optimized by extracted parameters. - Abstract: A novel method is explored for comprehensive design/optimization of organophosphorus sensing material, which is loaded on mass-type microcantilever sensor. Conventionally, by directly observing the gas sensing response, it is difficult to build quantitative relationship with the intrinsic structure of the material. To break through this difficulty, resonant cantilever is employed as gravimetric tool to implement molecule adsorption experiment. Based on the sensing data, key kinetic/thermodynamic parameters of the material to the molecule, including adsorption heat −ΔH°, adsorption/desorption rate constants K a and K d , active-site number per unit mass N′ and surface coverage θ, can be quantitatively extracted according to physical–chemistry theories. With gaseous DMMP (simulant of organophosphorus agents) as sensing target, the optimization route for three sensing materials is successfully demonstrated. Firstly, a hyper-branched polymer is evaluated. Though suffering low sensitivity due to insufficient N′, the bis(4-hydroxyphenyl)-hexafluoropropane (BHPF) sensing-group exhibits satisfactory reproducibility due to appropriate −ΔH°. To achieve more sensing-sites, KIT-5 mesoporous-silica with higher surface-area is assessed, resulting in good sensitivity but too high −ΔH° that brings poor repeatability. After comprehensive consideration, the confirmed BHPF sensing-group is grafted on the KIT-5 carrier to form an optimized DMMP sensing nanomaterial. Experimental results indicate that, featuring appropriate kinetic/thermodynamic parameters of −ΔH°, K a , K d , N′ and θ, the BHPF-functionalized KIT-5 mesoporous silica exhibits synergistic improvement among

  7. Kinetic synergistic transitions in the Ostwald ripening processes

    Science.gov (United States)

    Sachkov, I. N.; Turygina, V. F.; Dolganov, A. N.

    2018-01-01

    There is proposed approach to mathematical description of the kinetic transitions in Ostwald ripening processes of volatile substance in nonuniformly heated porous materials. It is based upon the finite element method. There are implemented computer software. The main feature of the software is to calculate evaporation and condensation fluxes on the walls of a nonuniformly heated cylindrical capillary. Kinetic transitions are detected for three modes of volatile substances migration which are different by condensation zones location. There are controlling dimensionless parameters of the kinetic transition which are revealed during research. There is phase diagram of the Ostwald ripening process modes realization.

  8. Plyometric Long Jump Training With Progressive Loading Improves Kinetic and Kinematic Swimming Start Parameters.

    Science.gov (United States)

    Rebutini, Vanessa Z; Pereira, Gleber; Bohrer, Roberta C D; Ugrinowitsch, Carlos; Rodacki, André L F

    2016-09-01

    Rebutini, VZ, Pereira, G, Bohrer, RCD, Ugrinowitsch, C, and Rodacki, ALF. Plyometric long jump training with progressive loading improves kinetic and kinematic swimming start parameters. J Strength Cond Res 30(9): 2392-2398, 2016-This study was aimed to determine the effects of a plyometric long jump training program on torque around the lower limb joints and kinetic and kinematics parameters during the swimming jump start. Ten swimmers performed 3 identical assessment sessions, measuring hip and knee muscle extensors during maximal voluntary isometric contraction and kinetic and kinematics parameters during the swimming jump start, at 3 instants: INI (2 weeks before the training program, control period), PRE (2 weeks after INI measurements), and POST (24-48 hours after 9 weeks of training). There were no significant changes from INI to PRE measurements. However, the peak torque and rate of torque development increased significantly from PRE to POST measurements for both hip (47 and 108%) and knee (24 and 41%) joints. There were significant improvements to the horizontal force (7%), impulse (9%), and angle of resultant force (19%). In addition, there were significant improvements to the center of mass displacement (5%), horizontal takeoff velocity (16%), horizontal velocity at water entrance (22%), and peak angle velocity for the knee (15%) and hip joints (16%). Therefore, the plyometric long jump training protocol was effective to enhance torque around the lower limb joints and to control the resultant vector direction, to increase the swimming jump start performance. These findings suggest that coaches should use long jump training instead of vertical jump training to improve swimming start performance.

  9. Estimation of fundamental kinetic parameters of polyhydroxybutyrate fermentation process of Azohydromonas australica using statistical approach of media optimization.

    Science.gov (United States)

    Gahlawat, Geeta; Srivastava, Ashok K

    2012-11-01

    Polyhydroxybutyrate or PHB is a biodegradable and biocompatible thermoplastic with many interesting applications in medicine, food packaging, and tissue engineering materials. The present study deals with the enhanced production of PHB by Azohydromonas australica using sucrose and the estimation of fundamental kinetic parameters of PHB fermentation process. The preliminary culture growth inhibition studies were followed by statistical optimization of medium recipe using response surface methodology to increase the PHB production. Later on batch cultivation in a 7-L bioreactor was attempted using optimum concentration of medium components (process variables) obtained from statistical design to identify the batch growth and product kinetics parameters of PHB fermentation. A. australica exhibited a maximum biomass and PHB concentration of 8.71 and 6.24 g/L, respectively in bioreactor with an overall PHB production rate of 0.75 g/h. Bioreactor cultivation studies demonstrated that the specific biomass and PHB yield on sucrose was 0.37 and 0.29 g/g, respectively. The kinetic parameters obtained in the present investigation would be used in the development of a batch kinetic mathematical model for PHB production which will serve as launching pad for further process optimization studies, e.g., design of several bioreactor cultivation strategies to further enhance the biopolymer production.

  10. The basal kinetic parameters of glycogen synthase in human myotube cultures are not affected by chronic high insulin exposure

    DEFF Research Database (Denmark)

    Gaster, M; Schrøder, H D; Handberg, A

    2001-01-01

    results show that chronic exposure of human myotubes to high insulin with or without high glucose did not affect the basal kinetic parameters but abolished the reactivity of GS to acute insulin stimulation. We suggest that insulin induced insulin resistance of GS is caused by a failure of acute insulin......There is no consensus regarding the results from in vivo and in vitro studies on the impact of chronic high insulin and/or high glucose exposure on acute insulin stimulation of glycogen synthase (GS) kinetic parameters in human skeletal muscle. The aim of this study was to evaluate the kinetic...... parameters of glycogen synthase activity in human myotube cultures at conditions of chronic high insulin combined or not with high glucose exposure, before and after a subsequent acute insulin stimulation. Acute insulin stimulation significantly increased the fractional activity (FV(0.1)) of GS, increased...

  11. Ethanol Production from Whey by Kluyveromyces marxianus in Batch Fermentation System: Kinetics Parameters Estimation

    Directory of Open Access Journals (Sweden)

    Dessy Ariyanti

    2013-03-01

    Full Text Available Whey is the liquid remaining after milk has been curdled and strained. It is a by-product of the manufacture of cheese or casein and has several commercial uses. In environmental point of view, whey is kind of waste which has high pollution level due to it’s contain high organic compound with BOD and COD value 50 and 80 g/L respectively. On the other side, whey also contain an amount of lactose (4.5%-5%; lactose can be used as carbon source and raw material for producing ethanol via fermentation using yeast strain Kluyveromyces marxianus. The objective of this research is to investigate the ethanol production kinetics from crude whey through fermentation using Kluyveromyces marxianus and to predict the model kinetics parameter. The yeast was able to metabolize most of the lactose within 16 h to give 8.64 g/L ethanol, 4.43 g/L biomass, and remain the 3.122 g/L residual lactose. From the results presented it also can be concluded that common kinetic model for microbial growth, substrate consumption, and product formation is a good alternative to describe an experimental batch fermentation of Kluyveromyces marxianus grown on a medium composed of whey. The model was found to be capable of reflecting all batch culture phases to a certain degree of accuracy, giving the parameter value: μmax, Ks, YX/S, α, β : 0.32, 10.52, 0.095, 1.52, and 0.11 respectively. © 2013 BCREC UNDIP. All rights reserved(Selected Paper from International Conference on Chemical and Material Engineering (ICCME 2012Received: 27th September 2012; Revised: 29th November 2012; Accepted: 7th December 2012[How to Cite: D. Ariyanti, H. Hadiyanto, (2013. Ethanol Production from Whey by Kluyveromyces marxianus in Batch Fermentation System: Kinetics Parameters Estimation. Bulletin of Chemical Reaction Engineering & Catalysis, 7 (3: 179-184. (doi:10.9767/bcrec.7.3.4044.179-184][Permalink/DOI: http://dx.doi.org/10.9767/bcrec.7.3.4044.179-184 ] View in  |

  12. Ab inito calculations of Hubbard parameters for NiO and Gd crystals

    Directory of Open Access Journals (Sweden)

    A. R Faghihi and S Jalali Asadabadi

    2008-07-01

    Full Text Available   In this research the Hubbard parameters have been calculated for NiO and Gd crystals, as two strongly correlated systems with partially full 3d and 4f levels, respectively. The calculations were performed within the density functional theory (DFT using the augmented plane waves plus the local orbitat (APW+lo method. We constructed a suitable supercell and found that the Hubbard parameters for the NiO and Gd compounds are equal to 5.9 eV and 5.7 eV, respectively. Our results are in good agreement with experimental data and results of other computational methods. Then we used the obtained parameters to study the structural properties of NiO and Gd by means of LDA+U approximation. Our results calculated by the LDA+U method which are in better agreement with the experiment show a significant improvement compared to the GGA approximation. The result shows that our method for calculating U parameter can be considered as a satisfactory method to study a strongly correlated system.

  13. Kinetic parameters of protein metabolism in rats during protein-free feeding

    International Nuclear Information System (INIS)

    Krawielitzki, K.; Schadereit, R.; Wuensche, J.

    1987-01-01

    16 male rats of 100 g live weight were given 50 mg of a mixture containing 15 N-labelled amino acids as a single dose within a protein-free feeding period. Following this the 15 N excretion in feces and urine as well as the development of the 15 N excess in different organs and tissues were estimated over 3 days by slaughtering the animals within given 7 time intervals. Using a 3 pool model and the computer program for the interpretation of 15 N tracer experiments by Toewe et al. (1984), kinetic parameters such as the rate of protein synthesis, protein breakdown and the rate of reutilization were calculated. Despite a negative N balance (- 41.8 mg N/d) under protein-free conditions the protein metabolism of the rat shows high dynamics characterized by a high flux rate (225 mg N/d) and a high rate of body protein synthesis (181 mg/d). The reutilization was 85 %. Depending on time the 15 N excess in the tested organs and tissues showed significant differences and seems to demonstrate that under these conditions protein synthesis mainly takes place in the most important organs (e.g. intestinal tract, liver). Under protein-free feeding conditions protein synthesis and protein breakdown of the whole body seems to be slightly increased in comparison to N balanced feeding conditions. (author)

  14. The influence of pH adjustment on kinetics parameters in tapioca wastewater treatment using aerobic sequencing batch reactor system

    Science.gov (United States)

    Mulyani, Happy; Budianto, Gregorius Prima Indra; Margono, Kaavessina, Mujtahid

    2018-02-01

    The present investigation deals with the aerobic sequencing batch reactor system of tapioca wastewater treatment with varying pH influent conditions. This project was carried out to evaluate the effect of pH on kinetics parameters of system. It was done by operating aerobic sequencing batch reactor system during 8 hours in many tapioca wastewater conditions (pH 4.91, pH 7, pH 8). The Chemical Oxygen Demand (COD) and Mixed Liquor Volatile Suspended Solids (MLVSS) of the aerobic sequencing batch reactor system effluent at steady state condition were determined at interval time of two hours to generate data for substrate inhibition kinetics parameters. Values of the kinetics constants were determined using Monod and Andrews models. There was no inhibition constant (Ki) detected in all process variation of aerobic sequencing batch reactor system for tapioca wastewater treatment in this study. Furthermore, pH 8 was selected as the preferred aerobic sequencing batch reactor system condition in those ranging pH investigated due to its achievement of values of kinetics parameters such µmax = 0.010457/hour and Ks = 255.0664 mg/L COD.

  15. Methods of control of inaccuracy in calculation of nuclear power plant decommissioning parameters - 16383

    International Nuclear Information System (INIS)

    Ondra, Frantisek; Daniska, Vladimir; Rehak, Ivan; Necas, Vladimir

    2009-01-01

    The aim of the article is a development of analytical methodology for evaluation of input data inaccuracies impact on calculation of cost and other output decommissioning parameters. This methodology is based on analytical model calculations using the OMEGA code and taking into account the probability of input data inaccuracies occurrence also. To achieve about mentioned aim, the article identifies possible sources of input data inaccuracies and analyzes their level of impact on output parameters. Then the methodology for calculation of input parameters inaccuracies impact is developed, based on analytical model calculation. The model calculation takes into consideration output parameters impact on cost and other decommissioning output parameters in analytical way. The methodology used in model calculations is original, more over it implements the international standardized structure (IAEA, OECD/NEA, EC) [6] of decommissioning cost for the first time. A probabilistic occurrence of input data inaccuracies is taken into consideration and implemented in the methodology developed. A correction factors matrix for evaluation of input data inaccuracies impact on decommissioning output parameters is set up. The matrix contains parameters based on model calculations using the proposed methodology. Finally the methodology for application of correction factor matrix is proposed and tested; the methodology is used for calculation of contingency in the standardized structure which reflected the level of input data inaccuracies. The cost for individual decommissioning projects for common nuclear power plants are in the range 300 - 500 mil. EUR. Contingencies are from 10% to 30%, depending on the level of detailed during preparation of decommissioning projects. A implementation about mentioned methodology in the OMEGA code improves the accuracy of contingency. Consequently it makes calculated contingency more trustworthy and makes calculated decommissioning cost closer to reality

  16. State and Kinetic Parameters Estimation of Bio-Ethanol Production with Immobilized Cells

    OpenAIRE

    Mihaylova, Iva; Popova, Silviya; Kostov, Georgi; Ignatova, Maya; Lubenova, Velislava; Naydenova, Vessela; Pircheva, Desislava; Angelov, Mihail

    2013-01-01

    In this paper, state and kinetic parameters estimation based on extended Kalman filter (EKF) is proposed. Experimental data from alcoholic fermentation process with immobilized cells is used. The measurements of glucose and ethanol concentration are used as on-line measurements for observers design and biomass concentration is used for results verification. Biomass, substrate and product concentrations inside immobilized compounds are estimated using the proposed algorithm. Monitoring of the ...

  17. Thermoluminescent kinetic parameters of the perovskite, KMgF{sub 3}, activated with lanthanum; Parametros cineticos termoluminiscentes de la perovskita, KMgF{sub 3}, activada con lantano

    Energy Technology Data Exchange (ETDEWEB)

    Sepulveda M, F. [ESFM-IPN, 07738 Mexico D.F. (Mexico); Azorin N, J.; Rivera M, T. [UAM-I, 09340 Mexico D.F. (Mexico); Furetta, C.; Sanipoli, C. [Physics Department, Universita di Roma ' ' La Sapienza' ' , Piazzale A. Moro 2, 00185 Roma (Italy)

    2004-07-01

    The thermoluminescent curves induced by the beta radiation in the perovskite KMgF{sub 3} were investigated activated with lanthanum. The classic methods were used to determine the kinetic parameters (the kinetic order b, the activation energy E and the frequency of escape intent s) associated with the peaks of the thermoluminescent curve (Tl) in the KMgF{sub 3} activated with lanthanum after the irradiation with beta rays. The method is based on the position of the thermoluminescent peaks, obtained of the temperature change of the peak in the maximum emission caused by the change in the heating rapidity to which the samples were measured. In this work, the samples in form of pellets were re cooked previously at 400 C during one hour before irradiating them with beta particles. The Tl measures were made with a Tl reader system using three different heating rapidities and storing the glow curves. To calculate the depth of the E traps and the frequency factor s, the parameters of the glow curve were determined experimentally of the shame of the glow curve by means of the mensuration of the shame of the maximum temperature of the peak, T{sub M} like a function of the heating rapidity. The results indicate that the values of the kinetic parameters are very near among if when they are obtained indistinctly of anyone of the different methods. (Author)

  18. Analysis of a kinetic multi-segment foot model part II: kinetics and clinical implications.

    Science.gov (United States)

    Bruening, Dustin A; Cooney, Kevin M; Buczek, Frank L

    2012-04-01

    Kinematic multi-segment foot models have seen increased use in clinical and research settings, but the addition of kinetics has been limited and hampered by measurement limitations and modeling assumptions. In this second of two companion papers, we complete the presentation and analysis of a three segment kinetic foot model by incorporating kinetic parameters and calculating joint moments and powers. The model was tested on 17 pediatric subjects (ages 7-18 years) during normal gait. Ground reaction forces were measured using two adjacent force platforms, requiring targeted walking and the creation of two sub-models to analyze ankle, midtarsal, and 1st metatarsophalangeal joints. Targeted walking resulted in only minimal kinematic and kinetic differences compared with walking at self selected speeds. Joint moments and powers were calculated and ensemble averages are presented as a normative database for comparison purposes. Ankle joint powers are shown to be overestimated when using a traditional single-segment foot model, as substantial angular velocities are attributed to the mid-tarsal joint. Power transfer is apparent between the 1st metatarsophalangeal and mid-tarsal joints in terminal stance/pre-swing. While the measurement approach presented here is limited to clinical populations with only minimal impairments, some elements of the model can also be incorporated into routine clinical gait analysis. Copyright © 2011 Elsevier B.V. All rights reserved.

  19. Calculation of the importance-weighted neutron generation time using MCNIC method

    International Nuclear Information System (INIS)

    Feghhi, S.A.H.; Shahriari, M.; Afarideh, H.

    2008-01-01

    In advanced nuclear power systems, such as ADS, the need for reliable kinetics parameters is of considerable importance because of the lower value for β eff due to the large amount of transuranic elements loaded in the core of those systems. All reactor kinetic parameters are weighted quantities. In other words each neutron with a given position and energy is weighted with its importance. Neutron generation time as an important kinetic parameter, in all nuclear power systems has a significant role in the analysis of fast transients. The difference between non-weighted neutron generation time; Λ; standard in most Monte Carlo codes; and the weighted one Λ + can be quite significant depending on the type of the system. In previous work, based on the physical concept of neutron importance, a new method; MCNIC; using the MCNP code has been introduced for the calculation of neutron importance in fissionable assemblies for all criticality states. In the present work the applicability of MCNIC method has been extended for the calculation of the importance-weighted neutron generation time. The influence of reflector thickness on importance-weighted neutron generation time has been investigated by the development of an auxiliary code, IWLA, for a hypothetic assembly. The results of these calculations were compared with the non-weighted neutron generation times calculated using the Monte Carlo code MCNP. The difference between the importance-weighted and non-weighted quantity is more significant in a reflected system and increases with reflector thickness

  20. Cell proliferation kinetics and radiation response in 9L tumor spheroids

    Energy Technology Data Exchange (ETDEWEB)

    Sweigert, S.E.

    1984-05-01

    Cell kinetic parameters, including population doubling-time, cell cycle time, and growth fraction, were measured in 9L gliosarcoma spheroids. These parameters were studied as the spheroids grew from 50 ..mu..m to over 900 ..mu..m in diameter. Experiments relating the cell kinetic parameters to the radiation response of 9L spheroids were also carried out. The major findings were that the average cell cycle time (T/sub c/), is considerably longer in large spheroids than in exponentially-growing monolayers, the radiosensitivity of noncycling (but still viable) cells in spheroids is not significantly different from that of cycling spheroid cells, and the radiation-induced division delay is approximately twice as long in spheroid cells as in monolayer cells given equal radiation doses. The cell loss factor for spheroids of various sizes was calculated, by using the measured kinetic parameters in the basic equations for growth of a cell population. 157 references, 6 figures, 3 tables.

  1. Cell proliferation kinetics and radiation response in 9L tumor spheroids

    International Nuclear Information System (INIS)

    Sweigert, S.E.

    1984-05-01

    Cell kinetic parameters, including population doubling-time, cell cycle time, and growth fraction, were measured in 9L gliosarcoma spheroids. These parameters were studied as the spheroids grew from 50 μm to over 900 μm in diameter. Experiments relating the cell kinetic parameters to the radiation response of 9L spheroids were also carried out. The major findings were that the average cell cycle time (T/sub c/), is considerably longer in large spheroids than in exponentially-growing monolayers, the radiosensitivity of noncycling (but still viable) cells in spheroids is not significantly different from that of cycling spheroid cells, and the radiation-induced division delay is approximately twice as long in spheroid cells as in monolayer cells given equal radiation doses. The cell loss factor for spheroids of various sizes was calculated, by using the measured kinetic parameters in the basic equations for growth of a cell population. 157 references, 6 figures, 3 tables

  2. Equilibrium, kinetics and thermodynamics studies of textile dyes adsorption on modified Tunisian clay

    Directory of Open Access Journals (Sweden)

    naghmouchi nahed

    2016-04-01

    Full Text Available The adsorption capacity of two anionic textile dyes (RR120 and BB150 on DMSO intercalated Tunisian raw clay was investigated with respect to contact time, initial dye concentration, pH and Temperature. The equilibrium data were fitted into Langmuir, Freundlich, Temkin and Dubinin–Radushkevich isotherms. The kinetic parameters were calculated using pseudo-first order, pseudo second-order, intra-particle diffusion and Elovich kinetic models. The thermodynamic parameters (DH°, DS° and DG° of the adsorption process were also evaluated.

  3. Determination of kinetics parameters using stochastic methods in a 252Cf system

    International Nuclear Information System (INIS)

    Difilippo, F.C.

    1988-01-01

    Safety analysis and control system design of nuclear systems require the knowledge of neutron kinetics related parameters like effective delayed neutron fraction, neutron lifetime, time between neutron generations and subcriticality margins. Many methods, deterministic and stochastic, are being used, some since the beginning of nuclear power, to measure these important parameters. The method based on the use of the 252 Cf neutron source has been under intense study at the Oak Ridge National Laboratory, both experimentally and theoretically, during the last years. The increasing demand for this isotope in industrial and medical applications and new designs of advanced high flux reactors to produce it make the isotope available as neutron source (only few micrograms are necessary). A thin layer of 252 Cf is deposited in one of the electrodes of a fission chamber which produces pulses each time the 252 Cf disintegrates via α or spontaneous fission decay; the smaller pulses associated with the α decay can be easily discriminated with the important result that we known the time when v/sub c/ neutrons are injected into the system (number of neutrons per fission of 252 Cf). Thus, a small (few cm 3 ) and nonintrusive device can be used as a random pulsed neutron source with known natural properties that do no depend on biases associated with more complex interrogating devices like accelerators. This paper presents a general formalism that relates the kinetics parameters with stochastic descriptors that naturally appear because of the random nature of the production and transport of neutrons

  4. Removal kinetics of organic compounds and sum parameters under field conditions for managed aquifer recharge.

    Science.gov (United States)

    Wiese, Bernd; Massmann, Gudrun; Jekel, Martin; Heberer, Thomas; Dünnbier, Uwe; Orlikowski, Dagmar; Grützmacher, Gesche

    2011-10-15

    Managed aquifer recharge (MAR) provides efficient removal for many organic compounds and sum parameters. However, observed in situ removal efficiencies tend to scatter and cannot be predicted easily. In this paper, a method is introduced which allows to identify and eliminate biased samples and to quantify simultaneously the impact of (i) redox conditions (ii) kinetics (iii) residual threshold values below which no removal occurs and (iv) field site specifics. It enables to rule out spurious correlations between these factors and therefore improves the predictive power. The method is applied to an extensive database from three MAR field sites which was compiled in the NASRI project (2002-2005, Berlin, Germany). Removal characteristics for 38 organic parameters are obtained, of which 9 are analysed independently in 2 different laboratories. Out of these parameters, mainly pharmaceutically active compounds (PhAC) but also sum parameters and industrial chemicals, four compounds are shown to be readily removable whereas six are persistent. All partly removable compounds show a redox dependency and most of them reveal either kinetic dependencies or residual threshold values, which are determined. Differing removal efficiencies at different field sites can usually be explained by characteristics (i) to (iii). Copyright © 2011 Elsevier Ltd. All rights reserved.

  5. Kinetics and dose calculations of amikacin in the newborn

    DEFF Research Database (Denmark)

    Sardemann, H; Colding, H; Hendel, J

    1976-01-01

    compartment model. The absorption was evaluated in 8 of the infants after intramuscular injection of 7.5 mg amikacin per kilogram of body weight. The absorption rate, estimated by the tmax, was significantly faster than reported in adults. The total body clearance and apparent volume of distribution were...... studied in 22 infants after the same dose of amikacin intramuscularly. The body clearance expressed in relation to body surface or body weight was significantly less than in adults and correlated with the postnatal age. No correlation could be demonstrated between clearance and gestational age or birth...... weight. The volume of distribution per kilogram was significantly greater than in adults. On the basis of the derived kinetic parameters, a dose schedule is presented. In 5 children there was a reasonable agreement between the measured and predicted serum levels....

  6. Thermodynamic, Kinetic, and Equilibrium Parameters for the Removal of Lead and Cadmium from Aqueous Solutions with Calcium Alginate Beads

    Directory of Open Access Journals (Sweden)

    Ruth Alfaro-Cuevas-Villanueva

    2014-01-01

    Full Text Available The sorption of cadmium (Cd and lead (Pb by calcium alginate beads (CAB from aqueous solutions in batch systems was investigated. The kinetic and thermodynamic parameters, as well as the sorption capacities of CAB in each system at different temperatures, were evaluated. The rate of sorption for both metals was rapid in the first 10 minutes and reached a maximum in 50 minutes. Sorption kinetic data were fitted to Lagergren, pseudo-second-order and Elovich models and it was found that the second-order kinetic model describes these data for the two metals; comparing kinetic parameters for Cd and Pb sorption a higher kinetic rate (K2 for Pb was observed, indicating that the interaction between lead cations and alginate beads was faster than for cadmium. Similarly, isotherm data were fitted to different models reported in literature and it was found that the Langmuir-Freundlich (L-F and Dubinin-Radushkevich (D-R models describe the isotherms in all cases. CAB sorption capacity for cadmium was 27.4 mg/g and 150.4 mg/g for lead, at 25°C. Sorption capacities of Cd and Pb increase as temperature rises. According to the thermodynamic parameters, the cadmium and lead adsorption process was spontaneous and endothermic. It was also found that pH has an important effect on the adsorption of these metals by CAB, as more were removed at pH values between 6 and 7.

  7. Calculation of the neutron parameters of fast thermal reactor

    International Nuclear Information System (INIS)

    Kukuleanu, V.; Mocioiu, D.; Drutse, E.; Konstantinesku, E.

    1975-01-01

    The system of neutron calculation for fast reactors is given. This system was used for estimation of physical parameters of fast thermal reactors investigated. The results obtained and different specific problems of the reactors of this type are described. (author)

  8. Sensitivity calculation of the coolant temperature regarding the thermohydraulic parameters

    International Nuclear Information System (INIS)

    Andrade Lima, F.R. de; Silva, F.C. da; Thome Filho, Z.D.; Alvim, A.C.M.; Oliveira Barroso, A.C. de.

    1985-01-01

    It's studied the application of the Generalized Perturbation Theory (GPT) in the sensitivity calculation of thermalhydraulic problems, aiming at verifying the viability of the extension of the method. For this, the axial distribution, transient, of the coolant temperature in a PWR channel are considered. Perturbation expressions are developed using the GPT formalism, and a computer code (Tempera) is written, to calculate the channel temperature distribution and the associated importance function, as well as the effect of the thermalhydraulic parameters variations in the coolant temperature (sensitivity calculation). The results are compared with those from the direct calculation. (E.G.) [pt

  9. RA reactor kinetic parameters - Progress report; Kineticki parametri reaktora RA - Izvestaj o napredovanju -

    Energy Technology Data Exchange (ETDEWEB)

    Petrovic, M; Obradovic, D; Jevtovic, V; Velickovic, Lj [Institute of nuclear sciences Boris Kidric, Vinca, Beograd (Yugoslavia)

    1965-11-15

    The objective of nuclear reactor kinetics study is to analyze the stability of reactor operation in practice. The obtained parameters should define the needed properties of automatic control system relevant for the stability of the designed reactor system. Refining the analytical models is done by using the analysis and interpretation of experimental data. Results of measured the reactor response obtained by using the reactor oscillator ROB-1 are explained by using the space independent model of the zero power reactor, by power reactor model with one feedback circuit, and by a complex model. It was assumed that the perturbations of the system are small and that linearized kinetic equations could be used. Linearized kinetic equation of the reactor system are transformed into the frequency region in order to analyze the measured values directly. The objective of this paper is to measure the RA reactor kinetics parameters, and analyze the stability of reactor operation at power levels high than nominal. Istrazivanja u oblasti kinetike nuklearnih reaktora imaju za cilj da dovedu analizu stabilnosti rada reaktora na nivo 'radne tehnologije'. Dobijeni pararametri treba da specificiraju potrebne karakteristike sistema automatske kontrole za odgovarajucu stabilnost projektovanog reaktorskog sistema. Doterivanjem analitickih modela do takvog nivoa da se zapazeni fenomeni mogu anailitcki predvideti ide preko analize i interpretacije eksperimentalnih podataka. Eksperimentalni rezultati merenja odziva reaktora, izvedeni reaktorskim oscilatorom ROB-1, interpretirani su na osnovu prostorno nezavisnog modela za reaktor nulte snage, modelom reaktora snage sa jednim kolom povratne sprege, kao i kompleksnim modelom. U ovom radu se poslo od toga da su perturbacije parametara sistema male, pa se mogu upotrebiti linearizovane kineticke jednacine. Linearizovane kineticke jednacine reaktorskog sistema transformirane su u frekventno podrucje s ciljem direktne analize mernih rezultata

  10. Determination of appropriate models and parameters for premixing calculations

    Energy Technology Data Exchange (ETDEWEB)

    Park, Ik-Kyu; Kim, Jong-Hwan; Min, Beong-Tae; Hong, Seong-Wan

    2008-03-15

    The purpose of the present work is to use experiments that have been performed at Forschungszentrum Karlsruhe during about the last ten years for determining the most appropriate models and parameters for premixing calculations. The results of a QUEOS experiment are used to fix the parameters concerning heat transfer. The QUEOS experiments are especially suited for this purpose as they have been performed with small hot solid spheres. Therefore the area of heat exchange is known. With the heat transfer parameters fixed in this way, a PREMIX experiment is recalculated. These experiments have been performed with molten alumina (Al{sub 2}O{sub 3}) as a simulant of corium. Its initial temperature is 2600 K. With these experiments the models and parameters for jet and drop break-up are tested.

  11. Determination of appropriate models and parameters for premixing calculations

    International Nuclear Information System (INIS)

    Park, Ik-Kyu; Kim, Jong-Hwan; Min, Beong-Tae; Hong, Seong-Wan

    2008-03-01

    The purpose of the present work is to use experiments that have been performed at Forschungszentrum Karlsruhe during about the last ten years for determining the most appropriate models and parameters for premixing calculations. The results of a QUEOS experiment are used to fix the parameters concerning heat transfer. The QUEOS experiments are especially suited for this purpose as they have been performed with small hot solid spheres. Therefore the area of heat exchange is known. With the heat transfer parameters fixed in this way, a PREMIX experiment is recalculated. These experiments have been performed with molten alumina (Al 2 O 3 ) as a simulant of corium. Its initial temperature is 2600 K. With these experiments the models and parameters for jet and drop break-up are tested

  12. Multi-group diffusion perturbation calculation code. PERKY (2002)

    Energy Technology Data Exchange (ETDEWEB)

    Iijima, Susumu; Okajima, Shigeaki [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment

    2002-12-01

    Perturbation calculation code based on the diffusion theory ''PERKY'' is designed for nuclear characteristic analyses of fast reactor. The code calculates reactivity worth on the multi-group diffusion perturbation theory in two or three dimensional core model and kinetics parameters such as effective delayed neutron fraction, prompt neutron lifetime and absolute reactivity scale factor ({rho}{sub 0} {delta}k/k) for FCA experiments. (author)

  13. Calculation of LWR kinetic parameter βeff. validation on the mistral experiments

    International Nuclear Information System (INIS)

    Santamarina, Alain; Erradi, Lahoussine

    2011-01-01

    This work presents the analysis of the MISTRAL experiments on the determination of the effective delayed neutron fraction β eff for UOX and MOX Light Water Reactor cores using the APOLLO2.8 code and JEFF-3.1.1 nuclear data library. The objective is to check if the new 8 time groups data in JEFF3 library (instead of the classical 6 groups) allows reducing the Calculation - Experiment discrepancy observed when using ENDF/B-VII or the previous JEF-2 library. Our analysis has shown that the C/E bias is reduced from +2.8% to +0.8% ± 1.6% for the UOX cores and from +0.8% to +0.2% ± 1.6% for the MOX cores. (author)

  14. Calculations of kinetic isotope effects in the syn-eliminations of (2-phenylethyl)dimethylamine oxides

    International Nuclear Information System (INIS)

    Shafiei-Kermani, H.R.

    1987-01-01

    Transition state theory (TST) calculations of kinetic isotope effects (KIE) for the syn-elimination of (2-phenylethyl)dimethylamine oxides have been carried out for a series of transition state (TS) models encompassing both E1-like and E1cB-like regions of the E2 mechanistic spectrum. A large number of different reaction coordinates were explored for both unsolvated and for coordination of solvent dimethylsulfoxide in the cyclic transition state models. The models of reaction for both solvated and unsolvated models of proton transfer are presented. A simplified method for easier initial screening of reaction coordinate contributions is developed, discussed, and found to produce accurate approximations to the full model KIE values. Both unsolvated and solvated models show E1-like E2 mechanism and the calculated values from both models are in extremely good agreement with experimentally measured KIE. Both models were used to investigate para-substituted derivatives (Z = CL, OCH 3 ) of the parent compound (Z = H). The transition states are related by a shift in structure parallel to the central E2 diagonal of an O'Ferrall-Jencks-Fry reaction diagram, as predicted by Thornton, indicating that in the absence of other factors, the extent to which negative charge is accumulated at C/sub β/ in the transition state is a function primarily of the leaving group. All of the structural parameters such as bond distances and bond angles were related to independent bond orders. Beta-deuterium isotope effects produced by both solvated and nonsolvated models are temperature dependent

  15. An Evaluation of Kinetic Parameters of Cadmium and Copper Biosorption by Immobilized Cells

    Directory of Open Access Journals (Sweden)

    Nelly Georgieva

    2007-10-01

    Full Text Available Bioremediation is the use of living organisms to reduce or eliminate environmental hazards resulting from the accumulation of toxic chemicals and other hazardous wastes. This technology is based on the utilization of microorganisms to transform organic and inorganic compounds. The filamentous yeast Trichosporon cutaneum strain R57, immobilized and free cells was cultivated as batch culture on a liquid medium in the presence of various concentrations of cadmium and copper ions. The simultaneous uptake and accumulation of Cd2+ and Cu2+ ions by Tr. cutaneum cells depending on the initial concentration of Cd2+ and Cu2+ in the medium were studied. The potential use of the free and immobilized cells of Trichosporon cutaneum to remove cadmium and copper ions, from aqueous solutions was evaluated. Two important physicochemical aspects for the evaluation of the sorption process as a unit operation are the equilibrium of sorption and the kinetics. The Cd2+ and Cu2+ ions biosorption capacities of all tested adsorbent were presented as a function of the initial concentration of metal ions within the aqueous biosorption medium. The individual, as well as bicomponent sorption kinetics of copper and cadmium ions by immobilised cells of Trichosporon cutaneum R57 is presented. A second order kinetic model obtains kinetic parameters for the copper and cadmium ions.

  16. Element-specific and constant parameters used for dose calculations in SR-Site

    International Nuclear Information System (INIS)

    Norden, Sara; Avila, Rodolfo; De la Cruz, Idalmis; Stenberg, Kristofer; Grolander, Sara

    2010-12-01

    The report presents Best Estimate (BE) values and Probability Distribution Functions (PDFs) of Concentration Ratios (CR) for different types of terrestrial and aquatic biota and distribution coefficients (K d ) for organic and inorganic deposits, as well as for suspended matter in freshwater and marine ecosystems. The BE values have been used in deterministic simulations for derivation of Landscape Dose Factors (LDF) applied for dose assessments in SR-Site. The PDFs have been used in probabilistic simulations for uncertainty and sensitivity analysis of the LDFs. The derivation of LDFs for SR-Site is described in /Avila et al. 2010/. The CR and K d values have been derived using both site-specific data measured at Laxemar and Forsmark during the site investigation program and literature data. These two data sources have been combined using Bayesian updating methods, which are described in detail in an Appendix, along with the input data used in the statistical analyses and the results obtained. The report also describes a kinetic-allometric model that was applied for deriving values of CR for terrestrial herbivores in cases when site and literature data for an element were missing. In addition, the report presents values for a number of other parameters used in the SR-Site Radionuclide Model for the biosphere: radionuclide decay-ingrowth data, elemental diffusivities, fractions of element content released during decomposition processes, ingestion of food, water and soil by cattle, elements retention fraction on plant surfaces during irrigation. The report also presents parameter values used in calculation of doses to a reference man: dose coefficients for inhalation, ingestion and external exposure, inhalation rates, ingestion rates of food and water

  17. Element-specific and constant parameters used for dose calculations in SR-Site

    Energy Technology Data Exchange (ETDEWEB)

    Norden, Sara (Svensk Kaernbraenslehantering AB (Sweden)); Avila, Rodolfo; De la Cruz, Idalmis; Stenberg, Kristofer; Grolander, Sara (Facilia AB (Sweden))

    2010-12-15

    The report presents Best Estimate (BE) values and Probability Distribution Functions (PDFs) of Concentration Ratios (CR) for different types of terrestrial and aquatic biota and distribution coefficients (K{sub d}) for organic and inorganic deposits, as well as for suspended matter in freshwater and marine ecosystems. The BE values have been used in deterministic simulations for derivation of Landscape Dose Factors (LDF) applied for dose assessments in SR-Site. The PDFs have been used in probabilistic simulations for uncertainty and sensitivity analysis of the LDFs. The derivation of LDFs for SR-Site is described in /Avila et al. 2010/. The CR and K{sub d} values have been derived using both site-specific data measured at Laxemar and Forsmark during the site investigation program and literature data. These two data sources have been combined using Bayesian updating methods, which are described in detail in an Appendix, along with the input data used in the statistical analyses and the results obtained. The report also describes a kinetic-allometric model that was applied for deriving values of CR for terrestrial herbivores in cases when site and literature data for an element were missing. In addition, the report presents values for a number of other parameters used in the SR-Site Radionuclide Model for the biosphere: radionuclide decay-ingrowth data, elemental diffusivities, fractions of element content released during decomposition processes, ingestion of food, water and soil by cattle, elements retention fraction on plant surfaces during irrigation. The report also presents parameter values used in calculation of doses to a reference man: dose coefficients for inhalation, ingestion and external exposure, inhalation rates, ingestion rates of food and water

  18. Kinetics of enzymatic trans-esterification of glycerides for biodiesel production.

    Science.gov (United States)

    Calabrò, Vincenza; Ricca, Emanuele; De Paola, Maria Gabriela; Curcio, Stefano; Iorio, Gabriele

    2010-08-01

    In this paper, the reaction of enzymatic trans-esterification of glycerides with ethanol in a reaction medium containing hexane at a temperature of 37 degrees C has been studied. The enzyme was Lipase from Mucor miehei, immobilized on ionic exchange resin, aimed at achieving high catalytic specific surface and recovering, regenerating and reusing the biocatalyst. A kinetic analysis has been carried out to identify the reaction path; the rate equation and kinetic parameters have been also calculated. The kinetic model has been validated by comparison between predicted and experimental results. Mass transport resistances estimation was undertaken in order to verify that the kinetics found was intrinsic. Model potentialities in terms of reactors design and optimization are also shown.

  19. Distribution and Parameter's Calculations of Television Cameras Inside a Nuclear Facility

    International Nuclear Information System (INIS)

    El-kafas, A.A.

    2009-01-01

    In this work, a distribution of television cameras and parameter's calculation inside and outside a nuclear facility is presented. Each of exterior and interior camera systems will be described and explained. The work shows the overall closed circuit television system. Fixed and moving cameras with various lens format and different angles of view are used. The calculations of width of images sensitive area and Lens focal length for the cameras will be introduced. The work shows the camera locations and distributions inside and outside the nuclear facility. The technical specifications and parameters for cameras selection are tabulated

  20. Calculation of the collective mass-parameter including RPA corrections

    International Nuclear Information System (INIS)

    Pal, M.K.; Zawischa, D.; Speth, J.

    1975-01-01

    A derivation of the vibrational mass-parameter B is given which makes the consistency with RPA calculations explicit. The expected enhancement by the residual particle-hole and particle-particle interaction is demonstrated by solving the quasiparticle-RPA for deformed nuclei in the rare earth region. (orig.) [de

  1. Influence of simulation assumptions and input parameters on energy balance calculations of residential buildings

    International Nuclear Information System (INIS)

    Dodoo, Ambrose; Tettey, Uniben Yao Ayikoe; Gustavsson, Leif

    2017-01-01

    In this study, we modelled the influence of different simulation assumptions on energy balances of two variants of a residential building, comprising the building in its existing state and with energy-efficient improvements. We explored how selected parameter combinations and variations affect the energy balances of the building configurations. The selected parameters encompass outdoor microclimate, building thermal envelope and household electrical equipment including technical installations. Our modelling takes into account hourly as well as seasonal profiles of different internal heat gains. The results suggest that the impact of parameter interactions on calculated space heating of buildings is somewhat small and relatively more noticeable for an energy-efficient building in contrast to a conventional building. We find that the influence of parameters combinations is more apparent as more individual parameters are varied. The simulations show that a building's calculated space heating demand is significantly influenced by how heat gains from electrical equipment are modelled. For the analyzed building versions, calculated final energy for space heating differs by 9–14 kWh/m"2 depending on the assumed energy efficiency level for electrical equipment. The influence of electrical equipment on calculated final space heating is proportionally more significant for an energy-efficient building compared to a conventional building. This study shows the influence of different simulation assumptions and parameter combinations when varied simultaneously. - Highlights: • Energy balances are modelled for conventional and efficient variants of a building. • Influence of assumptions and parameter combinations and variations are explored. • Parameter interactions influence is apparent as more single parameters are varied. • Calculated space heating demand is notably affected by how heat gains are modelled.

  2. Pyrolysis kinetics and thermodynamic parameters of castor (Ricinus communis) residue using thermogravimetric analysis.

    Science.gov (United States)

    Kaur, Ravneet; Gera, Poonam; Jha, Mithilesh Kumar; Bhaskar, Thallada

    2018-02-01

    Castor plant is a fast-growing, perennial shrub from Euphorbiaceae family. More than 50% of the residue is generated from its stems and leaves. The main aim of this work is to study the pyrolytic characteristics, kinetics and thermodynamic properties of castor residue. The TGA experiments were carried out from room temperature to 900 °C under an inert atmosphere at different heating rates of 5, 10, 15, 20, 30 and 40 °C/min. The kinetic analysis was carried using different models namely Kissinger, Flynn-Wall-Ozawa (FWO) and Kissinger-Akahira-Sunose (KAS). The average E ɑ calculated by FWO and KAS methods were 167.10 and 165.86 kJ/mole respectively. Gibbs free energy varied from 150.62-154.33 to 150.59-154.65 kJ/mol for FWO and KAS respectively. The HHV of castor residue was 14.43 MJ/kg, considered as potential feedstock for bio-energy production. Kinetic and thermodynamic results will be useful input for the design of pyrolytic process using castor residue as feedstock. Copyright © 2017 Elsevier Ltd. All rights reserved.

  3. Does Vibration Warm-up Enhance Kinetic and Temporal Sprint Parameters?

    Science.gov (United States)

    Cochrane, D J; Cronin, M J; Fink, P W

    2015-08-01

    The aim of this study was to investigate the efficacy of vibration warm-up to enhance sprint performance. 12 males involved in representative team sports performed 4 warm-up conditions in a randomised order performed at least 24 h apart; VbX warm-up (VbX-WU); Neural activation warm-up (Neu-WU); Dynamic warm-up (Dyn-WU) and Control (No VbX). Participants completed 5 m sprint at 30 s, 2:30 min and 5 min post warm-up where sprint time, kinetics, and temporal components were recorded. There was no significant (p>0.05) main effect or interaction effect between the split sprint times of 1 m, 2.5 m, and 5 m. There was a condition effect where vertical mean force was significantly higher (p0.05) main and interaction effects in sprint kinetic and temporal parameters existed. Overall, all 4 warm-up conditions produced comparable results for sprint performance, and there was no detrimental effect on short-duration sprint performance using VbX-WU. Therefore, VbX could be useful for adding variety to the training warm-up or be included into the main warm-up routine as a supplementary modality. © Georg Thieme Verlag KG Stuttgart · New York.

  4. Step-wise kinetics of natural physical ageing in arsenic selenide glasses

    International Nuclear Information System (INIS)

    Golovchak, R; Kozdras, A; Balitska, V; Shpotyuk, O

    2012-01-01

    The long-term kinetics of physical ageing at ambient temperature is studied in Se-rich As-Se glasses using the conventional differential scanning calorimetry technique. It is analysed through the changes in the structural relaxation parameters occurring during the glass-to-supercooled liquid transition in the heating mode. Along with the time dependences of the glass transition temperature (T g ) and partial area (A) under the endothermic relaxation peak, the enthalpy losses (ΔH) and calculated fictive temperature (T F ) are analysed as key parameters, characterizing the kinetics of physical ageing. The latter is shown to have step-wise character, revealing some kinds of subsequent plateaus and steep regions. A phenomenological description of physical ageing in the investigated glasses is proposed on the basis of an alignment-shrinkage mechanism and first-order kinetic equations.

  5. An evaluation of calculation parameters in the EGSnrc/BEAMnrc Monte Carlo codes and their effect on surface dose calculation

    International Nuclear Information System (INIS)

    Kim, Jung-Ha; Hill, Robin; Kuncic, Zdenka

    2012-01-01

    The Monte Carlo (MC) method has proven invaluable for radiation transport simulations to accurately determine radiation doses and is widely considered a reliable computational measure that can substitute a physical experiment where direct measurements are not possible or feasible. In the EGSnrc/BEAMnrc MC codes, there are several user-specified parameters and customized transport algorithms, which may affect the calculation results. In order to fully utilize the MC methods available in these codes, it is essential to understand all these options and to use them appropriately. In this study, the effects of the electron transport algorithms in EGSnrc/BEAMnrc, which are often a trade-off between calculation accuracy and efficiency, were investigated in the buildup region of a homogeneous water phantom and also in a heterogeneous phantom using the DOSRZnrc user code. The algorithms and parameters investigated include: boundary crossing algorithm (BCA), skin depth, electron step algorithm (ESA), global electron cutoff energy (ECUT) and electron production cutoff energy (AE). The variations in calculated buildup doses were found to be larger than 10% for different user-specified transport parameters. We found that using BCA = EXACT gave the best results in terms of accuracy and efficiency in calculating buildup doses using DOSRZnrc. In addition, using the ESA = PRESTA-I option was found to be the best way of reducing the total calculation time without losing accuracy in the results at high energies (few keV ∼ MeV). We also found that although choosing a higher ECUT/AE value in the beam modelling can dramatically improve computation efficiency, there is a significant trade-off in surface dose uncertainty. Our study demonstrates that a careful choice of user-specified transport parameters is required when conducting similar MC calculations. (note)

  6. Assessment of input function distortions on kinetic model parameters in simulated dynamic 82Rb PET perfusion studies

    International Nuclear Information System (INIS)

    Meyer, Carsten; Peligrad, Dragos-Nicolae; Weibrecht, Martin

    2007-01-01

    Cardiac 82 rubidium dynamic PET studies allow quantifying absolute myocardial perfusion by using tracer kinetic modeling. Here, the accurate measurement of the input function, i.e. the tracer concentration in blood plasma, is a major challenge. This measurement is deteriorated by inappropriate temporal sampling, spillover, etc. Such effects may influence the measured input peak value and the measured blood pool clearance. The aim of our study is to evaluate the effect of input function distortions on the myocardial perfusion as estimated by the model. To this end, we simulate noise-free myocardium time activity curves (TACs) with a two-compartment kinetic model. The input function to the model is a generic analytical function. Distortions of this function have been introduced by varying its parameters. Using the distorted input function, the compartment model has been fitted to the simulated myocardium TAC. This analysis has been performed for various sets of model parameters covering a physiologically relevant range. The evaluation shows that ±10% error in the input peak value can easily lead to ±10-25% error in the model parameter K 1 , which relates to myocardial perfusion. Variations in the input function tail are generally less relevant. We conclude that an accurate estimation especially of the plasma input peak is crucial for a reliable kinetic analysis and blood flow estimation

  7. Non-isothermal kinetic analysis on the phase transformations of Fe–Co–V alloy

    International Nuclear Information System (INIS)

    Hasani, S.; Shamanian, M.; Shafyei, A.; Behjati, P.; Szpunar, J.A.

    2014-01-01

    Highlights: • We investigated, occurrence of different phase transformations in a FeCo- 7.15%wt V alloy upon heating to 1200 °C. • We investigated, the determination of the activation energy for these phase transformations by using five isoconversional methods. • We investigated, the calculation of the empirical kinetic triplets by using the invariant kinetic parameters method and fitting model. - Abstract: In this study, occurrence of different phase transformations was investigated in a FeCo-7 wt% V alloy upon heating to 1200 °C by the dilatometry method at different heating rates (5, 10, and 15 °C min −1 ). It was found that four phase transformations (including B2-type atomic ordering in α phase, first stage of polymorphic transformation (α → α r + γ), ordering to disordering, and second stage of polymorphic transformation (α r → γ) occur in this alloy up to 1200 °C. Two isoconversional methods, as Starink and Friedman, were used to determine variation of the activation energy with temperature, E(T). Moreover, the empirical kinetic triplets (E, A, and g(α)) were calculated by the invariant kinetic parameters (IKP) method and fitting model

  8. Calculation of the main neutron parameters of the IEA-R1 research reactor

    International Nuclear Information System (INIS)

    Ojima, Mario Katsuhiko

    1977-01-01

    The main neutron parameters of the research reactor IEA-R1 were calculated using computer programs to generate cross sections and criticality calculations. A calculation procedure based on the programs available in the Processing Center Data of IEA was established and centered in the HAMMER and CITATION system. A study was done in order to verify the validity and accuracy of the calculation method comparing the results with experimental data. Some operating parameters of the reactor, namely the distribution of neutron flux, the critical mass, the variation of the reactivity with the burning of fuel, and the dead time of the reactor were determined

  9. Combined Yamamoto approach for simultaneous estimation of adsorption isotherm and kinetic parameters in ion-exchange chromatography.

    Science.gov (United States)

    Rüdt, Matthias; Gillet, Florian; Heege, Stefanie; Hitzler, Julian; Kalbfuss, Bernd; Guélat, Bertrand

    2015-09-25

    Application of model-based design is appealing to support the development of protein chromatography in the biopharmaceutical industry. However, the required efforts for parameter estimation are frequently perceived as time-consuming and expensive. In order to speed-up this work, a new parameter estimation approach for modelling ion-exchange chromatography in linear conditions was developed. It aims at reducing the time and protein demand for the model calibration. The method combines the estimation of kinetic and thermodynamic parameters based on the simultaneous variation of the gradient slope and the residence time in a set of five linear gradient elutions. The parameters are estimated from a Yamamoto plot and a gradient-adjusted Van Deemter plot. The combined approach increases the information extracted per experiment compared to the individual methods. As a proof of concept, the combined approach was successfully applied for a monoclonal antibody on a cation-exchanger and for a Fc-fusion protein on an anion-exchange resin. The individual parameter estimations for the mAb confirmed that the new approach maintained the accuracy of the usual Yamamoto and Van Deemter plots. In the second case, offline size-exclusion chromatography was performed in order to estimate the thermodynamic parameters of an impurity (high molecular weight species) simultaneously with the main product. Finally, the parameters obtained from the combined approach were used in a lumped kinetic model to simulate the chromatography runs. The simulated chromatograms obtained for a wide range of gradient lengths and residence times showed only small deviations compared to the experimental data. Copyright © 2015 Elsevier B.V. All rights reserved.

  10. Calculation of the neutron activation parameters from recently evaluated nuclear data

    International Nuclear Information System (INIS)

    Lopez Aldama, Daniel; Diaz Martinez, Nereida C.

    1999-01-01

    Neutron Activation Analysis (NAA) requires the values for nuclear data such as the 2200 m/s cross section so, the resonance integral I0, the parameter Q0 and the well-known Westcott factors. The availability of recently evaluated nuclear data libraries as the ENDF/B-VI Rev. 5, JEF 2.2, CENDL-2.1 and JENDL-3.2, makes possible to derive the above quantities from the basic nuclear data. It could be very helpful for those NAA parameters, which are unknown or difficult to measure accurately. The procedure to compute the NAA parameters includes the processing of the evaluated nuclear data and the calculation of each parameter directly from its definition. The evaluated nuclear data libraries ENDF/B-VI Rev. 5 and JENDL 3.2 were selected as the main sources of basic nuclear data. The ENDF pre-processing codes were used for processing the source evaluated data and a modified version of the INTER code was applied to calculate the required NAA integrals. The NAA parameters were computed for more than 30 important isotopes. The obtained results were compared with experimental values whenever possible

  11. The determination of kinetic parameters of LiF : Mg,Ti from thermal decaying curves of optical absorption bands

    CERN Document Server

    Yazici, A N

    2003-01-01

    In this paper, the thermal bleaching curves (TBCs) of specific optical absorption bands of LiF : Mg,Ti were measured as a function of temperature. The TBCs obtained were analysed to extract the kinetic parameters (the thermal activation energy (E) and the frequency factor (s)) of some TL glow peaks of LiF : Mg,Ti on the basis of the developed first-order kinetic model over a specified temperature region.

  12. Measures of the zero power nuclear reactor's kinetic parameters with application of noise analysis

    International Nuclear Information System (INIS)

    Martins, F.R.

    1992-01-01

    The purpose of this work was to establish an experimental technique based on noise analysis for measuring the ratio of kinetic parameters β/ Λ and the power of the Zero Power Nuclear Reactor IPEN-MB 01. A through study of the microscopic and macroscopic noise analysis techniques has been carried out. The Langevin technique and the point kinetic model were chosen to describe the stochastic phenomena that occur in the zero power reactor. Measurements have been made using two compensated ionization chambers localized in the water reflector at symmetric positions in order to minimize spatial effects on the neutron flux fluctuation. Power calibrations based on the low frequency plateau of the cross-power spectral density has also been carried out. (author)

  13. Analytical calculation of detailed model parameters of cast resin dry-type transformers

    International Nuclear Information System (INIS)

    Eslamian, M.; Vahidi, B.; Hosseinian, S.H.

    2011-01-01

    Highlights: → In this paper high frequency behavior of cast resin dry-type transformers was simulated. → Parameters of detailed model were calculated using analytical method and compared with FEM results. → A lab transformer was constructed in order to compare theoretical and experimental results. -- Abstract: Non-flammable characteristic of cast resin dry-type transformers make them suitable for different kind of usages. This paper presents an analytical method of how to obtain parameters of detailed model of these transformers. The calculated parameters are compared and verified with the corresponding FEM results and if it was necessary, correction factors are introduced for modification of the analytical solutions. Transient voltages under full and chopped test impulses are calculated using the obtained detailed model. In order to validate the model, a setup was constructed for testing on high-voltage winding of cast resin dry-type transformer. The simulation results were compared with the experimental data measured from FRA and impulse tests.

  14. Kinetic study on bonding reaction of gelatin with CdS nanopaticles by UV-visible spectroscopy.

    Science.gov (United States)

    Tang, Shihua; Wang, Baiyang; Li, Youqun

    2015-04-15

    The chemical kinetics on gelatin-CdS direct conjugates has been systematically investigated as a function of different temperature and reactant concentration (i.e. Cd(2+), S(2-) and gelatin) by UV-visible spectroscopy, for the first time. The nonlinear fitting and the differential method were used to calculate the initial rate based on the absorbance-time data. A double logarithmic linear equation for calculating the rate constant (k) and the reaction order (n) was introduced. The reaction kinetic parameters (n, k, Ea, and Z) and activation thermodynamic parameters (ΔG(≠), ΔH(≠), and ΔS(≠)) were obtained from variable temperature kinetic studies. The overall rate equation allowing evaluation of conditions that provide required reaction rate could be expressed as: r = 1.11 × 10(8) exp(-4971/T)[Cd(2+)][gelatin](0.6)[S(2-)](0.6) (M/S) The calculated values of the reaction rate are well coincide with the experimental results. A suitable kinetic model is also proposed. This work will provide guidance for the rational design of gelatin-directed syntheses of metal sulfide materials, and help to understand the biological effects of nanoparticles at the molecular level. Copyright © 2015 Elsevier B.V. All rights reserved.

  15. Advanced 3-dimensional electron kinetic calculations for the current drive problem in magnetically confined thermonuclear plasmas

    International Nuclear Information System (INIS)

    Peysson, Y.; Decker, J.; Bers, A.; Ram, A.; Harvey, R.

    2004-01-01

    Accurate and fast electron kinetic calculations is a challenging issue for realistic simulations of thermonuclear tokamak plasmas. Relativistic corrections and electron trajectory effects must be fully taken into account for high temperature burning plasmas, while codes should also consistently describe wave-particle resonant interactions in presence of locally large gradients close to internal transport barrier. In that case, neoclassical effects may come into play and self-consistent evaluation of both the radio-frequency and bootstrap currents must be performed. In addition, a complex interplay between momentum and radial electron dynamics may take place, in presence of a possible energy dependent radial transport. Besides the physics needs, there are considerable numerical issues to solve, in order to reduce computer time consumption and memory requirements at an acceptable level, so that kinetic calculations may be valuably incorporated in a chain of codes which determines plasma equilibrium and wave propagation. So far, fully implicit 3-dimensional calculations based on a finite difference scheme and an incomplete L and U matrices factorization have been found to be so most effective method to reach this goal. A review of the present status in this active field of physics is presented, with an emphasis on possible future improvements. (authors)

  16. Pyrolysis kinetics and thermal behavior of waste sawdust biomass using thermogravimetric analysis.

    Science.gov (United States)

    Mishra, Ranjeet Kumar; Mohanty, Kaustubha

    2018-03-01

    The present study reports pyrolysis behavior of three waste biomass using thermogravimetric analysis to determine kinetic parameters at five different heating rates. Physiochemical characterization confirmed that these biomass have the potential for fuel and energy production. Pyrolysis experiments were carried out at five different heating rates (5-25 °C min -1 ). Five model-free methods such as Kissinger-Akahira-Sunose (KAS), Ozawa-Flynn-Wall (OFW), Friedman, Coats-Redfern, and distributed activation energy (DAEM) were used to calculate the kinetic parameters. The activation energy was found to be 171.66 kJ mol -1 , 148.44 kJ mol -1 , and 171.24 kJ mol -1 from KAS model; 179.29 kJ mol -1 , 156.58 kJ mol -1 , and 179.47 kJ mol -1 from OFW model; 168.58 kJ mol -1 , 181.53 kJ mol -1 , and 184.61 kJ mol -1 from Friedman model; and 206.62 kJ mol -1 , 171.63 kJ mol -1 , and 160.45 kJ mol -1 from DAEM model for PW, SW, AN biomass respectively. The calculated kinetic parameters are in good agreement with other reported biomass. Copyright © 2017 Elsevier Ltd. All rights reserved.

  17. Calculations of kinetic isotope effects in the Hofmann eliminations of substituted (2-phenylethyl)trimethylammonium ions

    International Nuclear Information System (INIS)

    Lewis, D.E.; Sims, L.B.; Yamataka, H.; McKenna, J.

    1980-01-01

    Theoretical calculations of kinetic isotope effects (KIE) for the Hofmann elimination of the (2-phenylethyl)trimethylammonium ion (I,Z = H) have been carried out for an extensive series of transition-state models encompassing the Elcb-like region of the E2 mechanistic spectrum. The reaction coordinate employed corresponded to the irreversible fragmentation of the base-H'-C/sub β/-C/sub α/-N system, with proton transfer being the dominant contributor. Structural parameters (bond distances and angles) were related to the independent bond orders n/sub α-N/ and n/sub β-H'/ by empirical and semiempirical relationships. The most probable transition-state structure for the reaction was determined by interpolation of the experimental values for the β-D 2 and 15 N KIE into plots of the trends of the calculated KIE. The nonsolvated models obtained in this manner gave only poor agreement between calculated and experimental secondary deuterium (α-D 2 ) and leaving group deuterium [N(CD 3 )/sub x/(CH 3 )/sub 3-x/, x = 1 to 3) KIE; explicit consideration of differential solvation of the reactant and transition state afforded the most chemically reasonable resolution of these discrepancies. Using solvated models, transition-state structures were also determined for the Hofmann elimination of parasubstituted derivatives of I (Z = OCH 3 , Cl, CF 3 ). These transition states are related by a shift parallel to the central E2 diagogonal of an O'Ferrall-Jencks reaction diagram, as predicted by Thorton, indicating that, in the absence of other factors (differing solvent or base, etc.), the extent to which negative charge is accumulated at Cβ in the transition state is solely a factor of the leaving group. Both independent bond orders (n/sub α-N/ and n/sub β-H'/) exhibit a linear dependence on the sigma value of the substituent, allowing for the first time prediction of transition states

  18. Visual evaluation of kinetic characteristics of PET probe for neuroreceptors using a two-phase graphic plot analysis.

    Science.gov (United States)

    Ito, Hiroshi; Ikoma, Yoko; Seki, Chie; Kimura, Yasuyuki; Kawaguchi, Hiroshi; Takuwa, Hiroyuki; Ichise, Masanori; Suhara, Tetsuya; Kanno, Iwao

    2017-05-01

    Objectives In PET studies for neuroreceptors, tracer kinetics are described by the two-tissue compartment model (2-TCM), and binding parameters, including the total distribution volume (V T ), non-displaceable distribution volume (V ND ), and binding potential (BP ND ), can be determined from model parameters estimated by kinetic analysis. The stability of binding parameter estimates depends on the kinetic characteristics of radioligands. To describe these kinetic characteristics, we previously developed a two-phase graphic plot analysis in which V ND and V T can be estimated from the x-intercept of regression lines for early and delayed phases, respectively. In this study, we applied this graphic plot analysis to visual evaluation of the kinetic characteristics of radioligands for neuroreceptors, and investigated a relationship between the shape of these graphic plots and the stability of binding parameters estimated by the kinetic analysis with 2-TCM in simulated brain tissue time-activity curves (TACs) with various binding parameters. Methods 90-min TACs were generated with the arterial input function and assumed kinetic parameters according to 2-TCM. Graphic plot analysis was applied to these simulated TACs, and the curvature of the plot for each TAC was evaluated visually. TACs with several noise levels were also generated with various kinetic parameters, and the bias and variation of binding parameters estimated by kinetic analysis were calculated in each TAC. These bias and variation were compared with the shape of graphic plots. Results The graphic plots showed larger curvature for TACs with higher specific binding and slower dissociation of specific binding. The quartile deviations of V ND and BP ND determined by kinetic analysis were smaller for radioligands with slow dissociation. Conclusions The larger curvature of graphic plots for radioligands with slow dissociation might indicate a stable determination of V ND and BP ND by kinetic analysis. For

  19. Approximate method of calculation of non-equilibrium flow parameters of chemically reacting nitrogen tetroxide in the variable cross-section channels with energy exchange

    International Nuclear Information System (INIS)

    Bazhin, M.A.; Fedosenko, G.Eh.; Shiryaeva, N.M.; Mal'ko, M.V.

    1986-01-01

    It is shown that adiabatic non-equilibrium chemically reacting gas flow with energy exchange in a variable cross-section channel may be subdivided into five possible types: 1) quasi-equilibrium flow; 2) flow in the linear region of deviation from equilibrium state; 3) quasi-frozen flow; 4) flow in the linear region of deviation from frozen state; 5) non-equilibrium flow. Criteria of quasi-equilibrium and quazi-frozen flows, including factors of external action of chemically reacting gas on flow, allow to obtain simple but sufficiently reliable approximate method of calculation of flow parameters. The considered method for solving the problem of chemically reacting nitrogen tetroxide in the variable cross-section channel with energy exchange can be used for evaluation of chemical reaction kinetics on the flow parameter in the stages of axial-flow and radial-flow turbines and in another practical problems

  20. Application of the exact distribution pjk in the determination of kinetic parameters in a reactor

    International Nuclear Information System (INIS)

    Alcala Ruiz, F.

    1982-01-01

    In this report one distribution of neutron counts obtained by a detector placed in a reactor is studied in order to be used in the determination of reactor kinetic parameters such as β/Λ and reactivities. The parameters accuracy from this new method is compared with the Feynman and Mogilner method, based too in Reactor Neutron Noise Analysis. These three methods have been applied to JEN-2 reactor and the better accuracy and faster collection of experimental data give some interest to the new method which only requires a good footing code. (Author) 68 refs

  1. Kinetics and mechanism of nitrobenzene hydrogenation to phenylhydroxylamine in rhenium thiocomplexes solutions

    International Nuclear Information System (INIS)

    Korenyako, G.I.; Belousov, V.M.

    1985-01-01

    A study was made on kinetics of nitrobenzene hydrogenation to phenylhydroxylamine in dimethylformamide solutions of rhenium thiocomplexes. The mechanism of hydrogenation was suggested. Formation of hydride catalyst complex represents the first stage of the process. Kinetic equation derived on the basis of suggested mechanism corresponds satisfactorily with experimental results. Thermodynamic parameters of separate process stages calculated on the basis of equilibrium constant values testify as well to the benefit of suggested mechanism

  2. Characterisation of sugar cane straw waste as pozzolanic material for construction: Calcining temperature and kinetic parameters

    International Nuclear Information System (INIS)

    Frias, Moises; Villar-Cocina, E.; Valencia-Morales, E.

    2007-01-01

    This paper reports on the influence of calcining temperature (800 and 1000 deg. C) on the pozzolanic activation of sugar cane straw (SCS). The reaction kinetics of SCS ash-lime mixtures were inferred from physicochemical characteristics (X-ray diffraction patterns and thermogravimetry analysis. The fitting of a kinetic-diffusive model to the experimental data (fixed lime versus time) allowed the computing of the kinetic parameters (reaction rate constant) of the pozzolanic reaction. Results obtained confirm that the sugar cane straw ash (SCSA) calcined at 800 and 1000 deg. C have properties indicative of very high pozzolanic activity. No influence of calcining temperature on the pozzolanic activity was observed. Also, no crystalline compounds during the pozzolanic reaction were identified up to 90 days of reaction. Environmental durability and strength of the consequential mortars remain to be assessed

  3. Co-pyrolysis of biomass and plastic wastes: investigation of apparent kinetic parameters and stability of pyrolysis oils

    Science.gov (United States)

    Fekhar, B.; Miskolczi, N.; Bhaskar, T.; Kumar, J.; Dhyani, V.

    2018-05-01

    This work is dedicated to the co-pyrolysis of real waste high density polyethylene (HDPE) and biomass (rice straw) obtained from agriculture. Mixtures of raw materials were pyrolyzed in their 0%/100%, 30%/70%, 50%/50%, 70%/30%, 100%/0% ratios using a thermograph. The atmosphere was nitrogen, and a constant heating rate was used. Based on weight loss and DTG curves, the apparent reaction kinetic parameters (e.g., activation energy) were calculated using first-order kinetic approach and Arrhenius equation. It was found that decomposition of pure plastic has approximately 280 kJ/mol activation energy, while that of was considerably less in case of biomass. Furthermore, HDPE decomposition takes by one stage, while that of biomass was three stages. The larger amount of raw materials (100 g) were also pyrolyzed in the batch rig at 550°C to obtain products for analysis focussing to their long-term application. Pyrolysis oils were investigated by Fourier transformed infrared spectroscopy and standardized methods, such as density, viscosity, boiling range determination. It was concluded, that higher plastic ratio in raw material had the advantageous effect to the pyrolysis oil long-term application. E.g., the concentration of oxygenated compounds, such as aldehydes, ketones, carboxylic acids or even phenol and its derivate could be significantly decreased, which had an advantageous effect to their corrosion property. Lower average molecular weight, viscosity, and density were measured as a function of plastic content.

  4. The strong prognostic value of KELIM, a model-based parameter from CA 125 kinetics in ovarian cancer

    DEFF Research Database (Denmark)

    You, Benoit; Colomban, Olivier; Heywood, Mark

    2013-01-01

    Unexpected results were recently reported about the poor surrogacy of Gynecologic Cancer Intergroup (GCIG) defined CA-125 response in recurrent ovarian cancer (ROC) patients. Mathematical modeling may help describe CA-125 decline dynamically and discriminate prognostic kinetic parameters....

  5. Reaction dynamics of the four-centered elimination CH2OH + --> CHO + +H2: Measurement of kinetic energy release distribution and classical trajectory calculation

    Science.gov (United States)

    Lee, Tae Geol; Park, Seung C.; Kim, Myung Soo

    1996-03-01

    Mass-analyzed ion kinetic energy (MIKE) spectrum of CHO+ generated in the unimolecular dissociation of CH2OH+ was measured. Kinetic energy release distribution (KERD) was evaluated by analyzing the spectrum according to the algorithm developed previously. The average kinetic energy release evaluated from the distribution was extraordinarily large, 1.63 eV, corresponding to 75% of the reverse barrier of the reaction. A global analytical potential energy surface was constructed such that the experimental energetics was represented and that various features in the ab initio potential energy surface were closely reproduced. Classical trajectory calculation was carried out with the global analytical potential energy surface to investigate the causes for the extraordinarily large kinetic energy release. Based on the detailed dynamical calculations, it was found that the strained bending forces at the transition state and strengthening of the CO bond from double to triple bond character were mainly responsible for such a significant kinetic energy release. In addition, the dissociation products H2 and CHO+ ion were found to be rotationally excited in the trajectory calculations. This was attributed to the asymmetry of the transition state and the release of asymmetric bending forces. Also, the bending vibrational modes of CHO+ and the H2 stretching mode, which are coupled with the bending coordinates, were found to be moderately excited.

  6. Simplified methodology for control cell constant calculations of the reactor cores for the space kinetics

    International Nuclear Information System (INIS)

    Santos, Rubens Souza dos; Martinez, Aquilino Senra; Alvim, Antonio Carlos Marques

    2002-01-01

    In this work is presented a methodology which focuses the distribution of neutron absorber rods in nuclear reactor power plants, for utilizing in space kinetic calculations, principally in the cluster ejection transients of control rods. A numerical model for macroscopic constant calculations based on the knowledge of the neutron flux without the control rods is proposed, as alternative to the analytical models, based on the hypothesis of the null current on the cell super boundaries. The proposed model in this work has itself showed adequate to deal with problems with strong space dependence, once that the model showed consistence in the global average built in the analytical model. (author)

  7. Kinetic mixing and the supersymmetric gauge hierarchy

    International Nuclear Information System (INIS)

    Dienes, K.R.; Kolda, C.; March-Russell, J.

    1997-01-01

    The most general Lagrangian for a model with two U(1) gauge symmetries contains a renormalizable operator which mixes their gauge kinetic terms. Such kinetic mixing can be generated at arbitrarily high scales but will not be suppressed by large masses. In models whose supersymmetry (SUSY)-breaking hidden sectors contain U(1) gauge factors, we show that such terms will generically arise and communicate SUSY breaking to the visible sector through mixing with hypercharge. In the context of the usual supergravity- or gauge-mediated communication scenarios with D-terms of order the fundamental scale of SUSY breaking, this effect can destabilize the gauge hierarchy. Even in models for which kinetic mixing is suppressed or the D-terms are arranged to be small, this effect is a potentially large correction to the soft scalar masses and therefore introduces a new measurable low-energy parameter. We calculate the size of kinetic mixing both in field theory and in string theory, and argue that appreciable kinetic mixing is a generic feature of string models. We conclude that the possibility of kinetic mixing effects cannot be ignored in model building and in phenomenological studies of the low-energy SUSY spectra. (orig.)

  8. Microscopic calculation of parameters of the sdg interacting boson model for 104-110Pd isotopes

    International Nuclear Information System (INIS)

    Liu Yong

    1995-01-01

    The parameters of the sdg interacting boson model Hamiltonian are calculated for the 104-110 Pd isotopes. The calculations utilize the microscopic procedure based on the Dyson boson mapping proposed by Yang-Liu-Qi and extended to include the g boson effects. The calculated parameters reproduce those values from the phenomenological fits. The resulting spectra are compared with the experimental spectra

  9. Kinetics of transesterification of methyl acetate and n-octanol catalyzed by cation exchange resins

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Yong; Gao, Li; Li, Xiying; Mao, Liqun [Henan University, Kaifeng (China); Wei, Min [Henan University of Technology, Zhengzhou (China)

    2013-05-15

    The transesterification kinetics of methyl acetate with n-octanol to octyl acetate and methanol were studied using Amberlyst 15 as catalyst in a batch stirred reactor. The influence of the agitation speed, particle size, temperature, catalyst loading, and initial reactants molar ratio was investigated in detail. A pseudo-homogeneous (PH) kinetic model was applied to correlate the experimental data in the temperature range of 313.15 K to 328.15 K. The estimated kinetic parameters made the calculated results in good agreement with the experimental data. A kinetic model describing the transesterification reaction catalyzed by cation exchange resins was developed.

  10. A benchmark test of computer codes for calculating average resonance parameters

    International Nuclear Information System (INIS)

    Ribon, P.; Thompson, A.

    1983-01-01

    A set of resonance parameters has been generated from known, but secret, average values; the parameters have then been adjusted to mimic experimental data by including the effects of Doppler broadening, resolution broadening and statistical fluctuations. Average parameters calculated from the dataset by various computer codes are compared with each other, and also with the true values. The benchmark test is fully described in the report NEANDC160-U (NEA Data Bank Newsletter No. 27 July 1982); the present paper is a summary of this document. (Auth.)

  11. Non-isothermal degradation kinetics of filled with rise husk ash polypropene composites

    Directory of Open Access Journals (Sweden)

    2008-02-01

    Full Text Available The thermal stability and kinetics of non-isothermal degradation of polypropene and polypropene composites filled with 20 mass% vigorously grounded and mixed raw rice husks (RRH, black rice husks ash (BRHA, white rice husks ash (WRHA and Aerosil Degussa (AR were studied. The calculation procedures of Coats – Redfern, Madhysudanan et al., Tang et al., Wanjun et al. and 27 model kinetic equations were used. The kinetics of thermal degradation were found to be best described by kinetic equations of n-th order (Fn mechanism. The kinetic parameters E, A, ΔS≠, ΔH≠and ΔG≠for all the samples studied were calculated. The highest values of n, E and A were obtained for the composites filled with WRHA and AR. A linear dependence between lnA and E was observed, known also as kinetic compensation effect. The results obtained were considered enough to conclude that the cheap RRH and the products of its thermal degradation BRHA and WRHA, after vigorously grounding and mixing, could successfully be used as fillers for polypropene instead of the much more expensive synthetic material Aerosil to prepare various polypropene composites.

  12. Comparison of adsorption equilibrium and kinetic models for a case study of pharmaceutical active ingredient adsorption from fermentation broths: parameter determination, simulation, sensitivity analysis and optimization

    Directory of Open Access Journals (Sweden)

    B. Likozar

    2012-09-01

    Full Text Available Mathematical models for a batch process were developed to predict concentration distributions for an active ingredient (vancomycin adsorption on a representative hydrophobic-molecule adsorbent, using differently diluted crude fermentation broth with cells as the feedstock. The kinetic parameters were estimated using the maximization of the coefficient of determination by a heuristic algorithm. The parameters were estimated for each fermentation broth concentration using four concentration distributions at initial vancomycin concentrations of 4.96, 1.17, 2.78, and 5.54 g l−¹. In sequence, the models and their parameters were validated for fermentation broth concentrations of 0, 20, 50, and 100% (v/v by calculating the coefficient of determination for each concentration distribution at the corresponding initial concentration. The applicability of the validated models for process optimization was investigated by using the models as process simulators to optimize the two process efficiencies.

  13. The spatial kinetic analysis of accelerator-driven subcritical reactor

    International Nuclear Information System (INIS)

    Takahashi, H.; An, Y.; Chen, X.

    1998-02-01

    The operation of the accelerator driven reactor with subcritical condition provides a more flexible choice of the reactor materials and of design parameters. A deep subcriticality is chosen sometime from the analysis of point kinetics. When a large reactor is operated in deep subcritical condition by using a localized spallation source, the power distribution has strong spatial dependence, and point kinetics does not provide proper analysis for reactor safety. In order to analyze the spatial and energy dependent kinetic behavior in the subcritical reactor, the authors developed a computation code which is composed of two parts, the first one is for creating the group cross section and the second part solves the multi-group kinetic diffusion equations. The reactor parameters such as the cross section of fission, scattering, and energy transfer among the several energy groups and regions are calculated by using a code modified from the Monte Carlo codes MCNPA and LAHET instead of the usual analytical method of ANISN, TWOTRAN codes. Thus the complicated geometry of the accelerator driven reactor core can be precisely taken into account. The authors analyzed the subcritical minor actinide transmutor studied by Japan Atomic Energy Research Institute (JAERI) using the code

  14. CASIM calculations and angular dependent parameter β in the Moyer model

    International Nuclear Information System (INIS)

    Yamaguchi, Chiri.

    1988-04-01

    The dose equivalent on the shield surface has been calculated using both the Moyer model and the Monte Carlo code CASIM. Calculations with various values of the angular distribution parameter β in the Moyer model show that β = 7.0 ± 0.5 would meet the CASIM results at most, especially regarding locations at which the values of the maximum dose equivalent occur. (author)

  15. Study of dose calculation and beam parameters optimization with genetic algorithm in IMRT

    International Nuclear Information System (INIS)

    Chen Chaomin; Tang Mutao; Zhou Linghong; Lv Qingwen; Wang Zhuoyu; Chen Guangjie

    2006-01-01

    Objective: To study the construction of dose calculation model and the method of automatic beam parameters selection in IMRT. Methods: The three-dimension convolution dose calculation model of photon was constructed with the methods of Fast Fourier Transform. The objective function based on dose constrain was used to evaluate the fitness of individuals. The beam weights were optimized with genetic algorithm. Results: After 100 iterative analyses, the treatment planning system produced highly conformal and homogeneous dose distributions. Conclusion: the throe-dimension convolution dose calculation model of photon gave more accurate results than the conventional models; genetic algorithm is valid and efficient in IMRT beam parameters optimization. (authors)

  16. Using Cut-off grade isograms to delineate ore body and calculate parameter

    International Nuclear Information System (INIS)

    Yu Yongfeng; Zhu Xiaobing; Deng Yonghui

    2014-01-01

    Taking a uranium mine for an example, using cut-off grade isograms to achieve automatic delineation of ore body and calculation of parameters are explored. With center line of catalog sampling as baseline, the number of sampling and length of sampling constructing rectangular grid and grade as elevation value, isograms of cut-off grade were drawn, thus achieving the delineation of the ore body. Then, the other parameters of the ore body can be calculated. Compared with the traditional hand drawing method, the work efficiency was greatly improved, and the material inquiry was more convenient. (authors)

  17. THREE-PHASE TRANSFORMER PARAMETERS CALCULATION CONSIDERING THE CORE SATURATION FOR THE MATLAB-SIMULINK TRANSFORMER MODEL

    Directory of Open Access Journals (Sweden)

    I. V. Novash

    2015-01-01

    Full Text Available This article describes the parameters calculation for the three-phase two-winding power transformer model taken from the SimPowerSystems library, which is the part of the MatLab- Simulink environment. Presented methodology is based on the power transformer nameplate data usage. Particular attention is paid to the power transformer magnetization curve para- meters  calculation.  The  methodology  of  the  three-phase  two-winding  power  transformer model parameters calculation considering the magnetization curve nonlinearity isn’t presented in Russian-and English-language sources. Power transformers demo models described in the SimPowerSystems user’s guide have already calculated parameters, but without reference to the sources of their determination. A power transformer is a nonlinear element of the power system, that’s why for its performance analysis in different modes of operation is necessary to have the magnetization curve parameters.The process analysis during no-load energizing of the power transformer is of special interest. This regime is accompanied by the inrush current on the supply side of the power transformer, which is several times larger than the transformer rated current. Sharp rising of the magnetizing current is explained by the magnetic core saturation. Therefore, magnetiza- tion characteristic accounting during transformer no-load energizing modeling is a mandatory requirement. Article authors attempt to put all calculating formulas in a more convenient form and validate the power transformer nonlinear magnetization characteristics parameters calcu- lation. Inrush current oscillograms obtained during the simulation experiment confirmed the adequacy of the calculated model parameters.

  18. Effective potential kinetic theory for strongly coupled plasmas

    Science.gov (United States)

    Baalrud, Scott D.; Daligault, Jérôme

    2016-11-01

    The effective potential theory (EPT) is a recently proposed method for extending traditional plasma kinetic and transport theory into the strongly coupled regime. Validation from experiments and molecular dynamics simulations have shown it to be accurate up to the onset of liquid-like correlation parameters (corresponding to Γ ≃ 10-50 for the one-component plasma, depending on the process of interest). Here, this theory is briefly reviewed along with comparisons between the theory and molecular dynamics simulations for self-diffusivity and viscosity of the one-component plasma. A number of new results are also provided, including calculations of friction coefficients, energy exchange rates, stopping power, and mobility. The theory is also cast in the Landau and Fokker-Planck kinetic forms, which may prove useful for enabling efficient kinetic computations.

  19. Effect of resonance decays on extracted kinetic freeze-out parameters in heavy ion collisions at RHIC

    International Nuclear Information System (INIS)

    Molnar, Levente; Barannikova, Olga; Wang, Fuqiang

    2006-01-01

    Statistical model fit to particle ratios in Au+Au collisions at RHIC suggests chemical freeze-out near phase transition boundary. Model interpretations of evolution from chemical to kinetic freeze-out vary. Results of the blast-wave fit to the STAR experimental data, where resonance contributions are not accounted for, suggest significant cooling and expansion between the freezeouts for central Au+Au collisions. Other models including resonances, argue for instant single freezeout with temperature close to the phase transition temperature. By combined thermal and blast-wave model parametrization including resonances, we systematically investigate the effect of resonance decays on the extracted kinetic freeze-out parameters. (authors)

  20. A feasible kinetic model for the hydrogen oxidation on ruthenium electrodes

    International Nuclear Information System (INIS)

    Rau, M.S.; Gennero de Chialvo, M.R.; Chialvo, A.C.

    2010-01-01

    The hydrogen oxidation reaction (hor) was studied on a polycrystalline ruthenium electrode in H 2 SO 4 solution at different rotation rates (ω). The experimental polarization curves recorded on steady state show the existence of a maximum current with a non-linear dependence of the current density on ω 1/2 . On the basis of the Tafel-Heyrovsky-Volmer kinetic mechanism, coupled with a process of inhibition of active sites by the reversible electroadsorption of hydroxyl species, it was possible to appropriately describe the origin of the maximum current. The corresponding set of kinetic parameters was also calculated from the correlation of the experimental results with the proposed kinetic model.

  1. Calculation of stationary plasma parameters in an electromagnetic trap

    International Nuclear Information System (INIS)

    Karpukhin, V.I.; Lavrent'ev, O.A.; Sappa, N.N.

    1978-01-01

    The model of energy and particle balance is considered and the numerical calculations for stationary plasma parameters, supported by the electron injection, are obtained for a hypothetical electromagnetic trap with linear dimensions, magnetic field strength and energy contribution to plasma of the order of these parameters for the modern tokamak-type traps. The process of limitation of an effective injection current and energy contribution to plasma caused by returning of electrons to the injector due to diffusion in the velocity space is simulated. In approximation of a classical diffusion dependences are obtained of the effective energy contribution to plasma and of the parameters ntausub(E) and Tsub(i) (n is a plasma density; tausub(E)- energetic lifetime; Tsub(i) ion temperature) on electron injection current and power and on the confining magnetic field strength. It had been established that at classical character of diffusion in electromagnetic trap with above parameters one could obtain stationary plasma with ntausub(E)=10 12 cm -3 s and Tsub(i)=1keV, maintaining only by electron injection

  2. Ordinary Mathematical Models in Calculating the Aviation GTE Parameters

    Directory of Open Access Journals (Sweden)

    E. A. Khoreva

    2017-01-01

    Full Text Available The paper presents the analytical review results of the ordinary mathematical models of the operating process used to study aviation GTE parameters and characteristics at all stages of its creation and operation. Considers the mathematical models of the zero and the first level, which are mostly used when solving typical problems in calculating parameters and characteristics of engines.Presents a number of practical problems arising in designing aviation GTE for various applications.The application of mathematical models of the zero-level engine can be quite appropriate when the engine is considered as a component in the aircraft system to estimate its calculated individual flight performance or when modeling the flight cycle of the aircrafts of different purpose.The paper demonstrates that introduction of correction functions into the first-level mathematical models in solving typical problems (influence of the Reynolds number, characteristics deterioration of the units during the overhaul period of engine, as well as influence of the flow inhomogeneity at the inlet because of manufacturing tolerance, etc. enables providing a sufficient engineering estimate accuracy to reflect a realistic operating process in the engine and its elements.

  3. Some Investigations on Protease Enzyme Production Kinetics Using Bacillus licheniformis BBRC 100053 and Effects of Inhibitors on Protease Activity

    Directory of Open Access Journals (Sweden)

    Zahra Ghobadi Nejad

    2014-01-01

    Full Text Available Due to great commercial application of protease, it is necessary to study kinetic characterization of this enzyme in order to improve design of enzymatic reactors. In this study, mathematical modeling of protease enzyme production kinetics which is derived from Bacillus licheniformis BBRC 100053 was studied (at 37°C, pH 10 after 73 h in stationary phase, and 150 rpm. The aim of the present paper was to determine the best kinetic model and kinetic parameters for production of protease and calculating Ki (inhibition constant of different inhibitors to find the most effective one. The kinetic parameters Km (Michaelis-Menten constant and Vm (maximum rate were calculated 0.626 mM and 0.0523 mM/min. According to the experimental results, using DFP (diisopropyl fluorophosphate and PMSF (phenylmethanesulfonyl fluoride as inhibitors almost 50% of the enzyme activity could be inhibited when their concentrations were 0.525 and 0.541 mM, respectively. Ki for DFP and PMSF were 0.46 and 0.56 mM, respectively. Kinetic analysis showed that the Lineweaver-Burk model was the best fitting model for protease production kinetics DFP was more effective than PMSF and both of them should be covered in the group of noncompetitive inhibitors.

  4. On the Relationships Between the Fundamental Parameters of Calculation Accelerograms

    Energy Technology Data Exchange (ETDEWEB)

    Savich, A. I., E-mail: office@geodyn.ru; Burdina, N. A., E-mail: nina-burdina@mail.ru [Center of the Office of Geodynamic Observations in the Power Sector, an affiliate of JSC “Institut Gidroproekt,” (Russian Federation)

    2016-05-15

    Analysis of published data on the fundamental parameters of actual accelerograms of strong earthquakes having peak ground acceleration A{sub max}, predominant period T{sub pr}, and duration τ{sub 0.5} at 0.5A{sub max} determined that, for earthquakes of intensity greater than 6.5 – 7.0, the relationship between these quantities is sufficiently well described by the parameters B = ATτ and C = AτT{sup −1.338}, the former of which depends little on earthquake intensity I and is almost completely determined by the earthquake magnitude, while the latter, on the contrary, weakly depends on magnitude and is determined principally by the quantity I. Methods are proposed for using the parameters B and C to improve the reliability of determining parameters of accelerograms used to calculate the seismic resistance of hydraulic engineering facilities.

  5. Compilation of kinetic data for geochemical calculations

    International Nuclear Information System (INIS)

    Arthur, R.C.; Savage, D.; Sasamoto, Hiroshi; Shibata, Masahiro; Yui, Mikazu

    2000-01-01

    Kinetic data, including rate constants, reaction orders and activation energies, are compiled for 34 hydrolysis reactions involving feldspars, sheet silicates, zeolites, oxides, pyroxenes and amphiboles, and for similar reactions involving calcite and pyrite. The data are compatible with a rate law consistent with surface reaction control and transition-state theory, which is incorporated in the geochemical software package EQ3/6 and GWB. Kinetic data for the reactions noted above are strictly compatible with the transition-state rate law only under far-from-equilibrium conditions. It is possible that the data are conceptually consistent with this rate law under both far-from-equilibrium and near-to-equilibrium conditions, but this should be confirmed whenever possible through analysis of original experimental results. Due to limitations in the availability of kinetic data for mine-water reactions, and in order to simplify evaluations of geochemical models of groundwater evolution, it is convenient to assume local-equilibrium in such models whenever possible. To assess whether this assumption is reasonable, a modeling approach accounting for couple fluid flow and water-rock interaction is described that can be use to estimate spatial and temporal scale of local equilibrium. The approach is demonstrated for conditions involving groundwater flow in fractures at JNC's Kamaishi in-situ tests site, and is also used to estimate the travel time necessary for oxidizing surface waters to migrate to the level of a HLW repository in crystalline rock. The question of whether local equilibrium is a reasonable assumption must be addressed using an appropriate modeling approach. To be appropriate for conditions at the Kamaishi site using the modeling approach noted above, the fracture fill must closely approximate a porous mine, groundwater flow must be purely advective and diffusion of solutes across the fracture-host rock boundary must not occur. Moreover, the mineralogical and

  6. Kinetic and thermodynamic modelling of TBP synthesis processes

    International Nuclear Information System (INIS)

    Azzouz, A.; Attou, M.

    1989-02-01

    The present paper deals with kinetic and thermodynamic modellisation of tributylphosphate (TBP) synthesis processes. Its aim consists in a purely comparative study of two different synthesis ways i.e. direct and indirect estirification of butanol. The methodology involves two steps. The first step consists in approximating curves which describe the process evolution and their dependence on the main parameters. The results gave a kinetic model of the process rate yielding in TBP. Further, on the basis of thermodynamic data concerning the various involved compounds a theoretical model was achieved. The calculations were carried out in Basic language and an interpolation mathematical method was applied to approximate the kinetic curves. The thermodynamic calculations were achieved on the basis of GIBBS' free energy using a VAX type computer and a VT240 terminal. The calculations accuracy was reasonable and within the norms. For each process, the confrontation of both models leads to an appreciable accord. In the two processes, the thermodynamic models were similar although the kinetic equations present different reaction orders. Hence the reaction orders were determined by a mathematical method which conists in searching the minimal difference between an empiric relation and a kinetic model with fixed order. This corresponds in fact in testing the model proposed at various reaction order around the suspected value. The main idea which results from such a work is that this kind of processes is well fitting with the model without taking into account the side chain reactions. The process behaviour is like that of a single reaction having a quasi linear dependence of the rate yielding and the reaction time for both processes

  7. Combustion and kinetic parameters estimation of torrefied pine, acacia and Miscanthus giganteus using experimental and modelling techniques.

    Science.gov (United States)

    Wilk, Małgorzata; Magdziarz, Aneta; Gajek, Marcin; Zajemska, Monika; Jayaraman, Kandasamy; Gokalp, Iskender

    2017-11-01

    A novel approach, linking both experiments and modelling, was applied to obtain a better understanding of combustion characteristics of torrefied biomass. Therefore, Pine, Acacia and Miscanthus giganteus have been investigated under 260°C, 1h residence time and argon atmosphere. A higher heating value and carbon content corresponding to a higher fixed carbon, lower volatile matter, moisture content, and ratio O/C were obtained for all torrefied biomass. TGA analysis was used in order to proceed with the kinetics study and Chemkin calculations. The kinetics analysis demonstrated that the torrefaction process led to a decrease in Ea compared to raw biomass. The average Ea of pine using the KAS method changed from 169.42 to 122.88kJ/mol. The changes in gaseous products of combustion were calculated by Chemkin, which corresponded with the TGA results. The general conclusion based on these investigations is that torrefaction improves the physical and chemical properties of biomass. Copyright © 2017 Elsevier Ltd. All rights reserved.

  8. Semi-analytical calculation of fuel parameters for shock ignition fusion

    Directory of Open Access Journals (Sweden)

    S A Ghasemi

    2017-02-01

    Full Text Available In this paper, semi-analytical relations of total energy, fuel gain and hot-spot radius in a non-isobaric model have been derived and compared with Schmitt (2010 numerical calculations for shock ignition scenario. in nuclear fusion. Results indicate that the approximations used by Rosen (1983 and Schmitt (2010 for the calculation of burn up fraction have not enough accuracy compared with numerical simulation. Meanwhile, it is shown that the obtained formulas of non-isobaric model cannot determine the model parameters of total energy, fuel gain and hot-spot radius uniquely. Therefore, employing more appropriate approximations, an improved semianalytical relations for non-isobaric model has been presented, which  are in a better agreement with numerical calculations of shock ignition by Schmitt (2010.

  9. On enzyme kinetic parameters modification of gamma irradiation

    International Nuclear Information System (INIS)

    Ferdes, O.S.; Ferdes, M.; Turcu, G.R.

    1993-01-01

    To elucidate the molecular mechanisms of gamma-ray action on biomolecules there were investigated the modifications in activity and other kinetic parameters for some enzymes irradiated in pure dry state at relative high doses. There were considered bacterial and fungal α-amylases, glucoamylase and Mucor sp. protease irradiated by a 60 Co gamma-ray source in the dose range 1.0-30.0 kGy, at different dose-rates between 0.5-2.0 kGy/h, at room temperature. Considering the enzyme inactivation in this dose range, the dose-effect relationships have an expected form and depend on the irradiation conditions but not significantly on the dose rate. The catalytic properties of enzymes were modified by irradiation. By usual methods it is evidenced a direct correlation between the enzymatic activities, Michaelis-Menten constant, K m , reaction velocities, v, and the irradiation dose. These experimental findings can support a self-consistent theoretical approach on biophysical radiation action on biological active molecules like enzymes. At the same time, some enzyme behaviour to irradiation could be considered like a good biological indicator of radiation response. (Author) 4 Figs., 19 Refs

  10. The merits of cell kinetic parameters for the assessment of intrinsic cellular radiosensitivity to photon and high linear energy transfer neutron irradiation

    International Nuclear Information System (INIS)

    Theron, Therina; Slabbert, Jacobus; Serafin, Antonio; Boehm, Lothar

    1997-01-01

    Purpose: Differences in tumor response and intrinsic cellular radiosensitivity make the selection of patients for specific radiation modalities very difficult. The reasons for these differences are still unclear, but are thought to be due to genomic and cellular characteristics. Because radiosensitivities vary between cell cycle stages and because S phase cells are very radioresistant, cell cycle kinetic parameters could be a candidate for predicting intrinsic radiosensitivity. Methods and Materials: A panel of 15 tumor cell lines was analyzed for S phase content and potential doubling times (T pot ), and the influence of these parameters on the intrinsic radiosensitivity to 60 Coγ- and p(66)/Be neutron irradiation was assessed. Results: S phase content and T pot show a statistically significant correlation with the mean inactivation dose for photons. The correlation between cell kinetic parameters and the mean inactivation dose for neutrons showed the same trend as photon sensitivity but this was not found to be statistically significant. Conclusions: S phase content and T pot were identified as suitable criteria for predicting photon sensitivity. It is suggested that cell kinetic parameters could play a role in identifying neutron sensitive tumors if both tumor and normal cells are analyzed

  11. Calculation and analysis of thermal–hydraulics fluctuations in pressurized water reactors

    International Nuclear Information System (INIS)

    Malmir, Hessam; Vosoughi, Naser

    2015-01-01

    Highlights: • Single-phase thermal–hydraulics noise equations are originally derived in the frequency domain. • The fluctuations of all the coolant parameters are calculated, without any simplifying assumptions. • The radial distribution of the temperature fluctuations in the fuel, gap and cladding are taken into account. • The closed-loop calculations are performed by means of the point kinetics noise theory. • Both the space- and frequency-dependence of the thermal–hydraulics fluctuations are analyzed. - Abstract: Analysis of thermal–hydraulics fluctuations in pressurized water reactors (e.g., local and global temperature or density fluctuations, as well as primary and charging pumps fluctuations) has various applications in calculation or measurement of the core dynamical parameters (temperature or density reactivity coefficients) in addition to thermal–hydraulics surveillance and diagnostics. In this paper, the thermal–hydraulics fluctuations in PWRs are investigated. At first, the single-phase thermal–hydraulics noise equations (in the frequency domain) are originally derived, without any simplifying assumptions. The fluctuations of all the coolant parameters, as well as the radial distribution of the temperature fluctuations in the fuel, gap and cladding are taken into account. Then, the derived governing equations are discretized using the finite volume method (FVM). Based on the discretized equations and the proposed algorithm of solving, a single heated channel noise calculation code (SHC-Noise) is developed, by which the steady-state and fluctuating parameters of PWR fuel assemblies can be calculated. The noise sources include the inlet coolant temperature and velocity fluctuations, in addition to the power density noises. The developed SHC-Noise code is benchmarked in different cases and scenarios. Furthermore, to show the effects of the power feedbacks, the closed-loop calculations are performed by means of the point kinetics noise

  12. Pyrolysis characteristics and kinetic parameters determination of biomass fuel powders by differential thermal gravimetric analysis (TGA/DTG)

    International Nuclear Information System (INIS)

    El-Sayed, Saad A.; Mostafa, M.E.

    2014-01-01

    Highlights: • The sugarcane bagasse powder has better energy value compared to the cotton stalks. • Bagasse moisture is entrained in its cell walls and its evaporation needs more energy. • The cotton stalks is more reactive and readily combustible than the bagasse powders. • A lower E and A 0 has been found for bagasse compared with cotton stalks powders. • Calculated E of bagasse and cotton stalks by direct and integral methods are different. - Abstract: The kinetics of the thermal decomposition of the two biomass materials (sugarcane bagasse and cotton stalks powders) were evaluated using a differential thermo-gravimetric analyzer under a non-isothermal condition. Two distinct reaction zones were observed for the two biomasses. The direct Arrhenius plot method and the integral method were applied for determination of kinetic parameters: activation energy, pre-exponential factor, and order of reaction. The weight loss curve showed that pyrolysis of sugarcane bagasse and cotton stalks took place mainly in the range of 200–500 °C. The activation energy of the sugarcane bagasse powder obtained by the direct Arrhenius plot method ranged between 43 and 53.5 kJ/mol. On the other side, the integral method shows larger values of activation energy (77–87.7 kJ/mol). The activation energy of the cotton stalks powder obtained by the direct Arrhenius plot method was ranged between 98.5 and 100.2 kJ/mol, but the integral method shows larger values of activation energy (72.5–127.8 kJ/mol)

  13. Microscopic calculation of the Majorana parameters of the interacting boson model for the Hg isotopes

    Energy Technology Data Exchange (ETDEWEB)

    Druce, C.H.; Barrett, B.R. (Arizona Univ., Tucson (USA). Dept. of Physics); Pittel, S. (Delaware Univ., Newark (USA). Bartol Research Foundation); Duval, P.D. (BEERS Associates, Reston, VA (USA))

    1985-07-11

    The parameters of the Majorana interaction of the neutron-proton interacting boson model are calculated for the Hg isotopes. The calculations utilize the Otsuka-Arima-Iachello mapping procedure and also lead to predictions for the other boson parameters. The resulting spectra are compared with experimental spectra and those obtained from phenomenological fits.

  14. Microscopic calculation of the Majorana parameters of the interacting boson model for the Hg isotopes

    Science.gov (United States)

    Druce, C. H.; Pittel, S.; Barrett, B. R.; Duval, P. D.

    1985-07-01

    The parameters of the Majorana interaction of the neutron-proton interacting boson model are calculated for the Hg isotopes. The calculations utilize the Otsuka-Arima-Iachello mapping procedure and also lead to predictions for the other boson parameters. The resulting spectra are compared with experimental spectra and those obtained from phenomenological fits.

  15. The combination of kinetic and flow cytometric semen parameters as a tool to predict fertility in cryopreserved bull semen.

    Science.gov (United States)

    Gliozzi, T M; Turri, F; Manes, S; Cassinelli, C; Pizzi, F

    2017-11-01

    Within recent years, there has been growing interest in the prediction of bull fertility through in vitro assessment of semen quality. A model for fertility prediction based on early evaluation of semen quality parameters, to exclude sires with potentially low fertility from breeding programs, would therefore be useful. The aim of the present study was to identify the most suitable parameters that would provide reliable prediction of fertility. Frozen semen from 18 Italian Holstein-Friesian proven bulls was analyzed using computer-assisted semen analysis (CASA) (motility and kinetic parameters) and flow cytometry (FCM) (viability, acrosomal integrity, mitochondrial function, lipid peroxidation, plasma membrane stability and DNA integrity). Bulls were divided into two groups (low and high fertility) based on the estimated relative conception rate (ERCR). Significant differences were found between fertility groups for total motility, active cells, straightness, linearity, viability and percentage of DNA fragmented sperm. Correlations were observed between ERCR and some kinetic parameters, and membrane instability and some DNA integrity indicators. In order to define a model with high relation between semen quality parameters and ERCR, backward stepwise multiple regression analysis was applied. Thus, we obtained a prediction model that explained almost half (R 2=0.47, P<0.05) of the variation in the conception rate and included nine variables: five kinetic parameters measured by CASA (total motility, active cells, beat cross frequency, curvilinear velocity and amplitude of lateral head displacement) and four parameters related to DNA integrity evaluated by FCM (degree of chromatin structure abnormality Alpha-T, extent of chromatin structure abnormality (Alpha-T standard deviation), percentage of DNA fragmented sperm and percentage of sperm with high green fluorescence representative of immature cells). A significant relationship (R 2=0.84, P<0.05) was observed between

  16. RELAP5 kinetics model development for the Advanced Test Reactor

    International Nuclear Information System (INIS)

    Judd, J.L.; Terry, W.K.

    1990-01-01

    A point-kinetics model of the Advanced Test Reactor has been developed for the RELAP5 code. Reactivity feedback parameters were calculated by a three-dimensional analysis with the PDQ neutron diffusion code. Analyses of several hypothetical reactivity insertion events by the new model and two earlier models are discussed. 3 refs., 10 figs., 6 tabs

  17. Qualification of coupled 3D neutron kinetic/thermal hydraulic code systems by the calculation of a VVER-440 benchmark. Re-connection of an isolated loop

    Energy Technology Data Exchange (ETDEWEB)

    Kotsarev, Alexander; Lizorkin, Mikhail [National Research Centre ' Kurchatov Institute' , Moscow (Russian Federation); Bencik, Marek; Hadek, Jan [UJV Rez, a.s., Rez (Czech Republic); Kozmenkov, Yaroslav; Kliem, Soeren [Helmholtz-Zentrum Dresden-Rossendorf (HZDR) e.V., Dresden (Germany)

    2016-09-15

    The 7th AER dynamic benchmark is a continuation of the efforts to validate the codes systematically for the estimation of the transient behavior of VVER type nuclear power plants. The main part of the benchmark is the simulation of the re-connection of an isolated circulation loop with low temperature in a VVER-440 plant. This benchmark was calculated by the National Research Centre ''Kurchatov Institute'' (with the code ATHLET/BIPR-VVER), UJV Rez (with the code RELAP5-3D {sup copyright}) and HZDR (with the code DYN3D/ATHLET). The paper gives an overview of the behavior of the main thermal hydraulic and neutron kinetic parameters in the provided solutions.

  18. Retrievals of chlorine chemistry kinetic parameters from Antarctic ClO microwave radiometer measurements

    Directory of Open Access Journals (Sweden)

    S. Kremser

    2011-06-01

    Full Text Available Key kinetic parameters governing the partitioning of chlorine species in the Antarctic polar stratosphere were retrieved from 28 days of chlorine monoxide (ClO microwave radiometer measurements made during the late winter/early spring of 2005 at Scott Base (77.85° S, 166.75° E. During day-time the loss of the ClO dimer chlorine peroxide (ClOOCl occurs mainly by photolysis. Some time after sunrise, a photochemical equilibrium is established and the ClO/ClOOCl partitioning is determined by the ratio of the photolysis frequency, J, and the dimer formation rate, kf. The values of J and kf from laboratory studies remain uncertain to a considerable extent, and as a complement to these ongoing studies, the goal of this work is to provide a constraint on that uncertainty based on observations of ClO profiles in the Antarctic. First an optimal estimation technique was used to derive J/kf ratios for a range of Keq values. The optimal estimation forward model was a photochemical box model that takes J, kf, and Keq as inputs, together with a priori profiles of activated chlorine (ClOx = ClO+2×ClOOCl, profiles of ozone, temperature, and pressure. JPL06 kinetics are used as a priori in the optimal estimation and for all other chemistry in the forward model. Using the more recent JPL09 kinetics results in insignificant differences in the retrieved value of J/kf. A complementary approach was used to derive the optimal kinetic parameters; the full parameter space of J, kf, Keq and ClOx was sampled to find the minimum in differences between measured and modelled ClO profiles. Furthermore, values of Keq up to 2.0 times larger than recommended by JPL06 were explored to test the sensitivity of the

  19. Influence of delayed neutron parameter calculation accuracy on results of modeled WWER scram experiments

    International Nuclear Information System (INIS)

    Artemov, V.G.; Gusev, V.I.; Zinatullin, R.E.; Karpov, A.S.

    2007-01-01

    Using modeled WWER cram rod drop experiments, performed at the Rostov NPP, as an example, the influence of delayed neutron parameters on the modeling results was investigated. The delayed neutron parameter values were taken from both domestic and foreign nuclear databases. Numerical modeling was carried out on the basis of SAPFIR 9 5andWWERrogram package. Parameters of delayed neutrons were acquired from ENDF/B-VI and BNAB-78 validated data files. It was demonstrated that using delay fraction data from different databases in reactivity meters led to significantly different reactivity results. Based on the results of numerically modeled experiments, delayed neutron parameters providing the best agreement between calculated and measured data were selected and recommended for use in reactor calculations (Authors)

  20. Removal of Congo Red from Aqueous Solution by Anion Exchange Membrane (EBTAC): Adsorption Kinetics and Themodynamics

    Science.gov (United States)

    Khan, Muhammad Imran; Akhtar, Shahbaz; Zafar, Shagufta; Shaheen, Aqeela; Khan, Muhammad Ali; Luque, Rafael; ur Rehman, Aziz

    2015-01-01

    The adsorption behavior of anionic dye congo red (CR) from aqueous solutions using an anion exchange membrane (EBTAC) has been investigated at room temperature. The effect of several factors including contact time, membrane dosage, ionic strength and temperature were studied. Kinetic models, namely pseudo-first-order and pseudo-second-order, liquid film diffusion and Elovich models as well as Bangham and modified freundlich Equations, were employed to evaluate the experimental results. Parameters such as adsorption capacities, rate constant and related correlation coefficients for every model were calculated and discussed. The adsorption of CR on anion exchange membranes followed pseudo-second-order Kinetics. Thermodynamic parameters, namely changes in Gibbs free energy (∆G°), enthalpy (∆H°) and entropy (∆S°) were calculated for the adsorption of congo red, indicating an exothermic process. PMID:28793430

  1. Hyperfine electric parameters calculation in Si samples irradiated with 57Mn

    International Nuclear Information System (INIS)

    Abreu, Y.; Cruz, C. M.; Pinnera, I.; Leyva, A.; Van Espen, P.; Perez, C.

    2011-01-01

    The radiation damage created in silicon crystalline material by 57 Mn→ 57 Fe ion implantation was characterized by Moessbauer spectroscopy showing three main lines, assigned to: substitutional, interstitial and a damage configuration sites of the implanted ions. The hyperfine electric parameters, Quadrupole Splitting and Isomer Shift, were calculated for various implantation environments. In the calculations the full potential linearized-augmented plane-wave plus local orbitals (L/APW+lo) method as embodied in the WIEN2k code was used. Good agreement was found between the experimental and the calculated values for some implantation configurations; suggesting that the implantation environments could be similar to the ones proposed by the authors. (Author)

  2. Sensitivity calculations of integral parameters by a generalyzed perturbation theory

    International Nuclear Information System (INIS)

    Santo, A.C.F. de.

    1981-12-01

    In this work, we first revise some concepts, concerning the neutron transport in nuclear systems. We derive the balance and importance equation. Then we discuss the neutron importance in subcritical, critical and supercritical systems. The adjoint flux is estabilished as the neutron importance for the fission process. The conventional perturbation theory is later presented. We developed a sistematic perturbative formulation in the first order variation in the distribution functions calculate the reactivity due to a system perturbation. We present in detail the flux difference and generalized functions methos. The above formulation is then extended for altered systems. We consider integral parameters of the type ratio of bilinear functionals (for which the reactivity is a particular case). We define sensitivity coeficients, for any integral parameter, corresponding to a especific system alterations. Possible aplication of the method are also discussed. In the last part of this work, we apply the perturbative formulation to the doppler reacitivity sensibility calculation, utilizing the generalized functions method. We describe in detail the compiler program written for this and some other possible aplications. (Author) [pt

  3. Field-theoretic calculation of kinetic helicity flux

    Indian Academy of Sciences (India)

    Given all these practical aspects, kinetic helicity is an important quantity to study in fluid turbulence. Turbulence involves millions of interacting modes. It is very difficult to analyze these modes theoretically as well as numerically. In recent times, a new numeri- cal procedure called 'large eddy simulations' (LES) has become ...

  4. Determination of trapping parameters and the chemical diffusion coefficient from hydrogen permeation experiments

    Czech Academy of Sciences Publication Activity Database

    Svoboda, Jiří; Mori, G.; Prethaler, A.; Fischer, F. D.

    2014-01-01

    Roč. 82, MAY (2014), s. 93-100 ISSN 0010-938X Institutional support: RVO:68081723 Keywords : Steel * Electrochemical calculation * Modeling studies * Hydrogen permeation * Kinetic parameters Subject RIV: BJ - Thermodynamics Impact factor: 4.422, year: 2014

  5. Influential parameters for designing and power consumption calculating of cumin mower

    Energy Technology Data Exchange (ETDEWEB)

    Mahmoodi, E.; Jafari, A. [Tehran Univ., Karaj (Iran, Islamic Republic of). Dept. of Agricultural Machinery Engineering

    2010-07-01

    This paper reported on a study in which the consuming power and design of cumin mowers was calculated. The parameters required for calculating power consumption and designing of cumin mowers were measured along with some engineering properties of cumin stems. These included shearing and bending tests on cumin stem and specifying the coefficient of friction between mower knives and cumin stem. The relationships between static and dynamic friction forces being exerted on mower runners by soil with normal load were determined along with the factor affecting soil moisture. Some of the other parameters that are important for calculating the power consumption and design of an optimized mower include harvest moisture content; maximum and average of cumin stem diameter; maximum bio-yield point of force and maximum ultimate point of force in the cutting; average energy required to cut a stem; maximum elasticity module; maximum bending rupture force; average energy required for bending a stem; friction coefficient between the stem and knife edge; relation between bio-yield force, failure force, elasticity and diameter in the cutting; relation between rupture forces and diameter in the bending; and mower weight.

  6. Direct integral linear least square regression method for kinetic evaluation of hepatobiliary scintigraphy

    International Nuclear Information System (INIS)

    Shuke, Noriyuki

    1991-01-01

    In hepatobiliary scintigraphy, kinetic model analysis, which provides kinetic parameters like hepatic extraction or excretion rate, have been done for quantitative evaluation of liver function. In this analysis, unknown model parameters are usually determined using nonlinear least square regression method (NLS method) where iterative calculation and initial estimate for unknown parameters are required. As a simple alternative to NLS method, direct integral linear least square regression method (DILS method), which can determine model parameters by a simple calculation without initial estimate, is proposed, and tested the applicability to analysis of hepatobiliary scintigraphy. In order to see whether DILS method could determine model parameters as good as NLS method, or to determine appropriate weight for DILS method, simulated theoretical data based on prefixed parameters were fitted to 1 compartment model using both DILS method with various weightings and NLS method. The parameter values obtained were then compared with prefixed values which were used for data generation. The effect of various weights on the error of parameter estimate was examined, and inverse of time was found to be the best weight to make the error minimum. When using this weight, DILS method could give parameter values close to those obtained by NLS method and both parameter values were very close to prefixed values. With appropriate weighting, the DILS method could provide reliable parameter estimate which is relatively insensitive to the data noise. In conclusion, the DILS method could be used as a simple alternative to NLS method, providing reliable parameter estimate. (author)

  7. Comparison of safflower oil extraction kinetics under two characteristic moisture conditions: statistical analysis of non-linear model parameters

    Directory of Open Access Journals (Sweden)

    E. Baümler

    2014-06-01

    Full Text Available In this study the kinetics of oil extraction from partially dehulled safflower seeds under two moisture conditions (7 and 9% dry basis was investigated. The extraction assays were performed using a stirred batch system, thermostated at 50 ºC, using n-hexane as solvent. The data obtained were fitted to a modified diffusion model in order to represent the extraction kinetics. The model took into account a washing and a diffusive step. Fitting parameters were compared statistically for both moisture conditions. The oil yield increased with the extraction time in both cases, although the oil was released at different rates. A comparison of the parameters showed that both the portion extracted in the washing phase and the effective diffusion coefficient were moisture-dependent. The effective diffusivities were 2.81 10-12 and 8.06 10-13 m²s-1 for moisture contents of 7% and 9%, respectively.

  8. A critical look at the kinetic models of thermoluminescence-II. Non-first order kinetics

    International Nuclear Information System (INIS)

    Sunta, C M; Ayta, W E F; Chubaci, J F D; Watanabe, S

    2005-01-01

    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 kinetic order (KO) parameter and the pre-exponential factor which are assumed to be the constant parameters of the GO kinetics expression turn out to be variables when this expression is applied to plausible physical models. Further, in glow peak characterization using the GO expression, the quality of fit is found to deteriorate when the best fitted value of KO parameter is different from 1 and 2. This means that the found value of the basic parameter, namely the activation energy, becomes subject to error. In the MO kinetics model, the value of the KO parameter α would change with dose, and thus in this model also, as in the GO model, no single value of KO can be assigned to a given glow peak. The paper discusses TL of real materials having characteristics typically like those of FO kinetics. Theoretically too, a plausible physical model of TL emission produces glow peaks which have characteristics of FO kinetics under a wide variety of parametric combinations. In the background of the above findings, it is suggested that

  9. Predicting the kinetics of chelating agents in man from animal data

    International Nuclear Information System (INIS)

    Durbin, P.W.; Schmidt, C.T.

    1989-01-01

    Published data were collected on clearance of 82Br, 24Na, inulin, and the ligands CaNa2-EDTA and CaNa3-DTPA from plasma of rats, dogs, and adult men. Data were restructured to a common base and reanalyzed using a two-compartment open-system kinetic model with an outlet from plasma to urinary excretion or from interstitial fluid to deposition in tissues. This was used to obtain transfer rates, distribution volumes, renal clearance, tracer content of interstitial fluid, and cumulative urinary excretion. The validity of the approach was demonstrated by good agreement of the calculated distribution volumes and renal clearances of the selected tracers with published values obtained by other analytical methods. The values of the parameters of the plasma curves and the transfer rates for EDTA and DTPA in the animals were combined with physiological data to evaluate the kinetic parameters of those substances in man. The human kinetic parameters of the ligands predicted from rat or dog data differed, on the average, from the values calculated from human data by +/- 13 and +/- 38%, respectively. The effective concentration of EDTA or DTPA in body fluids from time of injection to complete excretion and the mean concentration for the first 360 min after injection was calculated to be about four times greater in man than in rats and 3.5 times greater than in dogs for equimolar amounts injected. Based on the pharmacokinetics of DTPA, chelation therapy immediately after an actinide accident involving inhalation or extensive skin damage will be more efficient and more effective if a fraction of the standard clinical ZnNa3-DTPA dosage is administered every few hours instead of as a single daily injection

  10. Calculation of the major material parameters of heat carriers for cryogenic heat pipes

    International Nuclear Information System (INIS)

    Molt, W.

    1976-07-01

    In order to make predictions on the efficiency of cryogenic heat pipes, the material parameters of the heat carrier such as surface tension, viscosity, evaporation heat and density of the liquid should be known. The author therefore investigates suitable interpolation methods and equations which enable the calculation of the desired material parameter at a certain temperature from other known quantities or which require that 1 to 3 material parameters at different temperatures are known. The calculations are limited to the temperature between critical temperature and triple point, since this is the only temperature region in which the heat carrier is in its liquid phase. The applicability and exactness of the equations is tested using known experimental data on N 2 , O 2 , CH 4 and partly on CF 4 . (orig./TK) [de

  11. Pre- and post- test calculation for the parameter-SF1 experiment with ATHLET-CD

    Energy Technology Data Exchange (ETDEWEB)

    Erdmann, W.; Trambauer, K.; Stuckert, J. [Gesellschaft fuer Anlagen- und Reaktorsicherheit mbH (GRS), Koln (Germany)

    2006-07-01

    The main objective of the PARAMETER-SF1 experiment in the frame of the ISTC project 3194 is the experimental and analytical investigation of the Russian VVER-1000 fuel rod assemblies behavior under simulated conditions of a severe accident. The special feature is to study the effect of flooding a superheated test bundle from the top (top quenching) which has not yet been investigated at all. - Simulation of the PARAMETER test facility To calculate the special effects of the top quenching, some aspects are important: detailed simulation of the bundle top, top and bottom quench front, heat losses at top/bottom of bundle, electrical heater power. - Main initial and boundary conditions The proposed initial and boundary conditions for the double-blind pre-test calculation were quite different from the actual experimental data during the test e.g.: electric power, mass flow (water, steam, argon), temperature. - Conclusions: first experiment with top flooding proposed initial condition given in the specification could not be performed during the experiment, bundle parameters deviated from anticipated values, thus, the pre-calculations not comparable with the experiment, post-calculations with ATHLET-CD showed good agreement with experiment data, top flooding is well predicted, calculational results sensitive with respect to: boundary conditions, nodalization. (authors)

  12. Analytical model for calculation of the thermo hydraulic parameters in a fuel rod assembly

    Energy Technology Data Exchange (ETDEWEB)

    Cesna, B., E-mail: benas@mail.lei.l [Lithuanian Energy Institute, Laboratory of Nuclear Installation Safety, Breslaujos g. 3, LT-44403 Kaunas (Lithuania)

    2010-11-15

    Research highlights: {yields} Proposed calculation model can be used for rapid calculation of the bundles with rods spaced by wire wrapping or honey type spacer grids. {yields} Model estimate three flow cross mixture mechanisms. {yields} Program DARS is enable to analyses experimental results. - Abstract: The paper presents the procedure of the cellular calculation of thermo hydraulic parameters of a single-phase gas flow in a fuel rod assembly. The procedure is implemented in the DARS program. The program is intended for calculation of the distribution of the gaseous coolant parameters and wall temperatures in case of arbitrary, geometrically specified, arrangement of the rods in fuel assembly and in case of arbitrary, functionally specified in space, heat release in the rods. In mathematical model the flow cross-section of the channel of intricate shape is conventionally divided to elementary cells formed by straight lines, which connect the centers of rods. Within the limits of a single cell the coolant parameters and the temperature of the corresponding part of the rod surface are assumed constant. The entire fuel assembly is viewed as a system of parallel interconnected channels. Program DARS is illustrated by calculation of a temperature mode of 85-rod assembly with spacers of wire wrapping on the rods.

  13. Calculation of parameters of radial-piston reducer based on the use of functional semantic networks

    Directory of Open Access Journals (Sweden)

    Pashkevich V.M.

    2016-12-01

    Full Text Available The questions of сalculation of parameters of radial-piston reducer are considered in this article. It is used the approach which is based technologies of functional semantic networks. It is considered possibility applications of functional se-mantic networks for calculation of parameters of radial-piston reducer. Semantic networks to calculate the mass of the radial piston reducer are given.

  14. Calculation of dosimetry parameters for fast neutron radiotherapy

    Energy Technology Data Exchange (ETDEWEB)

    Wells, A.H.

    1978-05-01

    A computer simulation of the interactions of 50 MeV d/sup +/ on Be and 42 MeV p/sup +/ on Be neutron spectra with ICRU muscle tissue and Shonka A-150 tissue equivalent plastic was performed to allow computation of the charged particle spectra that result. Nuclear data were obtained from the Evaluated Nuclear Data File (ENDF) whenever possible and from the Intranuclear Cascade and Evaporation models otherwise. The dosimetry parameters calculated are: the kerma ratio, K/sub A-150//K/sub tissue/; the energy required to form an ion pair, W; and the stopping power ratio, S/sub g//sup W/.

  15. Calculation of dosimetry parameters for fast neutron radiotherapy

    International Nuclear Information System (INIS)

    Wells, A.H.

    1978-05-01

    A computer simulation of the interactions of 50 MeV d + on Be and 42 MeV p + on Be neutron spectra with ICRU muscle tissue and Shonka A-150 tissue equivalent plastic was performed to allow computation of the charged particle spectra that result. Nuclear data were obtained from the Evaluated Nuclear Data File (ENDF) whenever possible and from the Intranuclear Cascade and Evaporation models otherwise. The dosimetry parameters calculated are: the kerma ratio, K/sub A-150//K/sub tissue/; the energy required to form an ion pair, W; and the stopping power ratio, S/sub g//sup W/

  16. Adaptation of GRS calculation codes for Soviet reactors

    International Nuclear Information System (INIS)

    Langenbuch, S.; Petri, A.; Steinborn, J.; Stenbok, I.A.; Suslow, A.I.

    1994-01-01

    The use of ATHLET for incident calculation of WWER has been tested and verified in numerous calculations. Further adaptation may be needed for the WWER 1000 plants. Coupling ATHLET with the 3D nuclear model BIPR-8 for WWER cores clearly improves studies of the influence of neutron kinetics. In the case of FBMK reactors ATHLET calculations show that typical incidents in the complex RMBK reactors can be calculated even though verification still has to be worked on. Results of the 3D-core model QUABOX/CUBBOX-HYCA show good correlation of calculated and measured values in reactor plants. Calculations carried out to date were used to check essential parameters influencing RBMK core behaviour especially dependence of effective voidre activity on the number of control rods. (orig./HP) [de

  17. A new general method for simultaneous fitting of temperature and concentration dependence of reaction rates yields kinetic and thermodynamic parameters for HIV reverse transcriptase specificity.

    Science.gov (United States)

    Li, An; Ziehr, Jessica L; Johnson, Kenneth A

    2017-04-21

    Recent studies have demonstrated the dominant role of induced fit in enzyme specificity of HIV reverse transcriptase and many other enzymes. However, relevant thermodynamic parameters are lacking, and equilibrium thermodynamic methods are of no avail because the key parameters can only be determined by kinetic measurement. By modifying KinTek Explorer software, we present a new general method for globally fitting data collected over a range of substrate concentrations and temperatures and apply it to HIV reverse transcriptase. Fluorescence stopped-flow methods were used to record the kinetics of enzyme conformational changes that monitor nucleotide binding and incorporation. The nucleotide concentration dependence was measured at temperatures ranging from 5 to 37 °C, and the raw data were fit globally to derive a single set of rate constants at 37 °C and a set of activation enthalpy terms to account for the kinetics at all other temperatures. This comprehensive analysis afforded thermodynamic parameters for nucleotide binding ( K d , Δ G , Δ H , and Δ S at 37 °C) and kinetic parameters for enzyme conformational changes and chemistry (rate constants and activation enthalpy). Comparisons between wild-type enzyme and a mutant resistant to nucleoside analogs used to treat HIV infections reveal that the ground state binding is weaker and the activation enthalpy for the conformational change step is significantly larger for the mutant. Further studies to explore the structural underpinnings of the observed thermodynamics and kinetics of the conformational change step may help to design better analogs to treat HIV infections and other diseases. Our new method is generally applicable to enzyme and chemical kinetics. © 2017 by The American Society for Biochemistry and Molecular Biology, Inc.

  18. Extracting surface diffusion coefficients from batch adsorption measurement data: application of the classic Langmuir kinetics model.

    Science.gov (United States)

    Chu, Khim Hoong

    2017-11-09

    Surface diffusion coefficients may be estimated by fitting solutions of a diffusion model to batch kinetic data. For non-linear systems, a numerical solution of the diffusion model's governing equations is generally required. We report here the application of the classic Langmuir kinetics model to extract surface diffusion coefficients from batch kinetic data. The use of the Langmuir kinetics model in lieu of the conventional surface diffusion model allows derivation of an analytical expression. The parameter estimation procedure requires determining the Langmuir rate coefficient from which the pertinent surface diffusion coefficient is calculated. Surface diffusion coefficients within the 10 -9 to 10 -6  cm 2 /s range obtained by fitting the Langmuir kinetics model to experimental kinetic data taken from the literature are found to be consistent with the corresponding values obtained from the traditional surface diffusion model. The virtue of this simplified parameter estimation method is that it reduces the computational complexity as the analytical expression involves only an algebraic equation in closed form which is easily evaluated by spreadsheet computation.

  19. Description of the CAREM Reactor Neutronic Calculation Codes; Descripcion de la Linea de Calculo Neutronica del CAREM

    Energy Technology Data Exchange (ETDEWEB)

    Villarino, Eduardo; Hergenreder, Daniel [Investigacion Aplicada, INVAP, San Carlos de Bariloche (Argentina)

    2000-07-01

    In this work is described the neutronic calculation line used to design the CAREM reactor.A description of the codes used and the interfaces between the different programs are presented.Both, the normal calculation line and the alternative or verification calculation line are included.The calculation line used to obtain the kinetics parameters (effective delayed-neutron fraction and prompt-neutron lifetime) is also included.

  20. Harmonising Reference Intervals for Three Calculated Parameters used in Clinical Chemistry.

    Science.gov (United States)

    Hughes, David; Koerbin, Gus; Potter, Julia M; Glasgow, Nicholas; West, Nic; Abhayaratna, Walter P; Cavanaugh, Juleen; Armbruster, David; Hickman, Peter E

    2016-08-01

    For more than a decade there has been a global effort to harmonise all phases of the testing process, with particular emphasis on the most frequently utilised measurands. In addition, it is recognised that calculated parameters derived from these measurands should also be a target for harmonisation. Using data from the Aussie Normals study we report reference intervals for three calculated parameters: serum osmolality, serum anion gap and albumin-adjusted serum calcium. The Aussie Normals study was an a priori study that analysed samples from 1856 healthy volunteers. The nine analytes used for the calculations in this study were measured on Abbott Architect analysers. The data demonstrated normal (Gaussian) distributions for the albumin-adjusted serum calcium, the anion gap (using potassium in the calculation) and the calculated serum osmolality (using both the Bhagat et al. and Smithline and Gardner formulae). To assess the suitability of these reference intervals for use as harmonised reference intervals, we reviewed data from the Royal College of Pathologists of Australasia/Australasian Association of Clinical Biochemists (RCPA/AACB) bias survey. We conclude that the reference intervals for the calculated serum osmolality (using the Smithline and Gardner formulae) may be suitable for use as a common reference interval. Although a common reference interval for albumin-adjusted serum calcium may be possible, further investigations (including a greater range of albumin concentrations) are needed. This is due to the bias between the Bromocresol Green (BCG) and Bromocresol Purple (BCP) methods at lower serum albumin concentrations. Problems with the measurement of Total CO 2 in the bias survey meant that we could not use the data for assessing the suitability of a common reference interval for the anion gap. Further study is required.

  1. Study of the dissolution velocity of dispersed solid particles. Development of a calculation method for analyzing the kinetic curves. Extension to the study of composed kinetics

    International Nuclear Information System (INIS)

    Jorda, Michel.

    1976-01-01

    The dissolution of a solid in an aqueous phase is studied, the solid consisting of dispersed particles. A continuous colorimetric analysis method is developed to study the dissolution process and a two-parameter optimization method is established to investigate the kinetic curves obtained. This method is based on the differential equation dx/dt=K(1-x)sup(n). (n being the decrease in the dissolution velocity when the dissolved part increases and K a velocity parameter). The dissolution of SO 4 Cu and MnO 4 K in water and UO 3 in SO 4 H 2 is discussed. It is shown that the dissolution velocity of UO 3 is proportional to the concentration of the H + ions in the solution as far as this one is not higher than 0.25N. The study of the temperature dependence of the UO 3 dissolution reaction shows that a transition phase takes place from 25 to 65 0 C between a phase in which the dissolution is controlled by the diffusion of the H + ions and the chemical reaction at the interface and a phase in which the kinetics is only controlled by the diffusion [fr

  2. Investigation of synthesis, thermal properties and curing kinetics of fluorene diamine-based benzoxazine by using two curing kinetic methods

    International Nuclear Information System (INIS)

    He, Xuan-yu; Wang, Jun; Ramdani, Noureddine; Liu, Wen-bin; Liu, Li-jia; Yang, Lei

    2013-01-01

    Graphical abstract: - Highlights: • A novel diamine-based benzoxazine monomer containing aryl ether and bulky fluorene groups (BEF-p) is synthesized. • Kinetic parameters can be calculated by Starink-LSR method and direct LSR method. • Cure reaction could be successfully described with the autocatalytic model. • The poly(BEF-p) exhibits high T g and superior thermal stability. • Aryl ether linkages had little influence on the thermal stability. - Abstract: A novel diamine-based benzoxazine monomer containing aryl ether and bulky fluorene groups (BEF-p) was prepared from the reaction of 9,9-bis-[4-(p-aminophenoxy)-phenyl]fluorene with paraformaldehyde and phenol. The chemical structure of monomer was confirmed by Fourier-transform infrared (FTIR) and 1 H and 13 C nuclear magnetic resonance spectroscopy ( 1 H and 13 C NMR). The polymerization behavior of monomer was analyzed by differential scanning calorimetry (DSC) and FTIR. The curing kinetics was studied by non-isothermal DSC, and the kinetic parameters were determined. The autocatalytic model based on two kinetic methods (Starink-LSR method and direct LSR method) showed good agreement with experimental results. The thermal and mechanical properties of poly(BEF-p) were evaluated with DSC, dynamic mechanical thermal analysis (DMTA), and thermogravimetric analysis (TGA). The results showed that the cured polymer exhibited higher glass transition temperature (T g ) and better thermal stability compared with diaminodiphenylmethane-based benzoxazine(P-ddm), and was slightly lower than those of fluorene diamine-phenol-based polybenzoxazine (poly(BF-p))

  3. Kinetic and thermodynamic analysis of the polymerization of polyurethanes by a rheological method

    International Nuclear Information System (INIS)

    Lucio, Beatriz; Fuente, José Luis de la

    2016-01-01

    Graphical abstract: - Highlights: • Kinetic and thermodynamic analysis for the formation of a functional polyurethane (PU) has been carried out. • Rheological parameters were used to obtain the profile of the resin's curing degree. • Kamal-Sourour autocatalytic kinetic model describes well this polyaddition reaction. • A deeper understanding of the mechanism of PU systems has been achieved. • This metallo-PU finds its application in the chemistry of advanced energetic materials. - Abstract: As part of an investigation into the mechanism and chemorheology of linear segmented polyurethane (PU) systems, this paper presents the kinetic and thermodynamic characterization of the reaction between an advanced functional metallo-polyol derivative of hydroxyl-terminated polybutadiene (HTPB), (ferrocenylbutyl)dimethylsilane grafted HTPB, and isophorone diisocyanate (IPDI). The evolution of viscoelastic properties, such as the storage modulus (G′), was recorded in bulk under isothermal conditions at four different temperatures between 50 and 80 °C, and a resin curing degree profile was obtained for this elastic modulus. The use of the Kamal-Sourour autocatalytic kinetic model was proposed, describing the overall curing process perfectly. All the kinetic and thermodynamic parameters, including reaction orders, kinetic constants and activation energy, were determined for the polyaddition reaction under study. A relevant autocatalysis effect, promoted by the urethane group, has been found. The isoconversion method was also used to analyze the variation of the global activation energy with conversion. The global activation energy increases slightly as the curing reaction proceeds with a maximum value reached at approximately 30% conversion. In addition, the Eyring parameters were calculated from the obtained kinetic data.

  4. Kinetic and thermodynamic analysis of the polymerization of polyurethanes by a rheological method

    Energy Technology Data Exchange (ETDEWEB)

    Lucio, Beatriz; Fuente, José Luis de la, E-mail: fuentegj@inta.es

    2016-02-10

    Graphical abstract: - Highlights: • Kinetic and thermodynamic analysis for the formation of a functional polyurethane (PU) has been carried out. • Rheological parameters were used to obtain the profile of the resin's curing degree. • Kamal-Sourour autocatalytic kinetic model describes well this polyaddition reaction. • A deeper understanding of the mechanism of PU systems has been achieved. • This metallo-PU finds its application in the chemistry of advanced energetic materials. - Abstract: As part of an investigation into the mechanism and chemorheology of linear segmented polyurethane (PU) systems, this paper presents the kinetic and thermodynamic characterization of the reaction between an advanced functional metallo-polyol derivative of hydroxyl-terminated polybutadiene (HTPB), (ferrocenylbutyl)dimethylsilane grafted HTPB, and isophorone diisocyanate (IPDI). The evolution of viscoelastic properties, such as the storage modulus (G′), was recorded in bulk under isothermal conditions at four different temperatures between 50 and 80 °C, and a resin curing degree profile was obtained for this elastic modulus. The use of the Kamal-Sourour autocatalytic kinetic model was proposed, describing the overall curing process perfectly. All the kinetic and thermodynamic parameters, including reaction orders, kinetic constants and activation energy, were determined for the polyaddition reaction under study. A relevant autocatalysis effect, promoted by the urethane group, has been found. The isoconversion method was also used to analyze the variation of the global activation energy with conversion. The global activation energy increases slightly as the curing reaction proceeds with a maximum value reached at approximately 30% conversion. In addition, the Eyring parameters were calculated from the obtained kinetic data.

  5. Predicting heavy metals' adsorption edges and adsorption isotherms on MnO2 with the parameters determined from Langmuir kinetics.

    Science.gov (United States)

    Hu, Qinghai; Xiao, Zhongjin; Xiong, Xinmei; Zhou, Gongming; Guan, Xiaohong

    2015-01-01

    Although surface complexation models have been widely used to describe the adsorption of heavy metals, few studies have verified the feasibility of modeling the adsorption kinetics, edge, and isotherm data with one pH-independent parameter. A close inspection of the derivation process of Langmuir isotherm revealed that the equilibrium constant derived from the Langmuir kinetic model, KS-kinetic, is theoretically equivalent to the adsorption constant in Langmuir isotherm, KS-Langmuir. The modified Langmuir kinetic model (MLK model) and modified Langmuir isotherm model (MLI model) incorporating pH factor were developed. The MLK model was employed to simulate the adsorption kinetics of Cu(II), Co(II), Cd(II), Zn(II) and Ni(II) on MnO2 at pH3.2 or 3.3 to get the values of KS-kinetic. The adsorption edges of heavy metals could be modeled with the modified metal partitioning model (MMP model), and the values of KS-Langmuir were obtained. The values of KS-kinetic and KS-Langmuir are very close to each other, validating that the constants obtained by these two methods are basically the same. The MMP model with KS-kinetic constants could predict the adsorption edges of heavy metals on MnO2 very well at different adsorbent/adsorbate concentrations. Moreover, the adsorption isotherms of heavy metals on MnO2 at various pH levels could be predicted reasonably well by the MLI model with the KS-kinetic constants. Copyright © 2014. Published by Elsevier B.V.

  6. Measurement of specific parameters for dose calculation after inhalation of aerols containing transuranium elements

    International Nuclear Information System (INIS)

    Ramounet-le Gall, B.; Fritsch, P.; Abram, M.C.; Rateau, G.; Grillon, G.; Guillet, K.; Baude, S.; Berard, P.; Ansoborlo, E.; Delforge, J.

    2002-01-01

    A review on specific parameter measurements to calculate doses per unit of incorporation according to recommendations of the International Commission of Radiological Protection has been performed for inhaled actinide oxides. Alpha activity distribution of the particles can be obtained by autoradiography analysis using aerosol sampling filters at the work places. This allows us to characterize granulometric parameters of 'pure' actinide oxides, but complementary analysis by scanning electron microscopy is needed for complex aerosols. Dissolution parameters with their standard deviation are obtained after rat inhalation exposure, taking into account both mechanical lung clearance and actinide transfer to the blood estimated from bone retention. In vitro experiments suggest that the slow dissolution rate might decrease as a function of time following exposure. Dose calculation software packages have been developed to take into account granulometry and dissolution parameters as well as specific physiological parameters of exposed individuals. In the case of poorly soluble actinide oxides, granulometry and physiology appear as the main parameters controlling dose value, whereas dissolution only alters dose distribution. Validation of these software packages are in progress. (author)

  7. Simulating kinetic parameters in transporter mediated permeability across Caco-2 cells. A case study on estrange-3-sulphate

    DEFF Research Database (Denmark)

    Rolsted, Kamilla; Rapin, Nicolas; Steffansen, Bente

    2011-01-01

    Substances that compete for the same saturable intestinal transporters may when dosed together lead to altered permeability and hence influence bioavailability. The aim was to simulate kinetic parameters, i.e. K(m) and J(max), for transporter mediated E(1)S permeability across Caco-2 cells...

  8. Pile noise experiment in MINERVE reactor to estimate kinetic parameters using various data processing methods

    Energy Technology Data Exchange (ETDEWEB)

    Geslot, Benoit; Gruel, Adrien; Pepino, Alexandra; Di Salvo, Jacques; Izarra, Gregoire de; Jammes, Christian; Destouches, Christophe; Blaise, Patrick [CEA, DEN, DER/SPEx, Cadarache, F-13108 St Paul Lez Durance (France)

    2015-07-01

    MINERVE is a two-zone pool type zero power reactor operated by CEA (Cadarache, France). Kinetic parameters of the core (prompt neutron decay constant, delayed neutron fraction, generation time) have been recently measured using various pile noise experimental techniques, namely Feynman-α, Rossi-α and Cohn-α. Results are discussed and compared to each other's. The measurement campaign has been conducted in the framework of a tri-partite collaboration between CEA, SCK.CEN and PSI. Results presented in this paper were obtained thanks to a time-stamping acquisition system developed by CEA. PSI performed simultaneous measurements which are presented in a companion paper. Signals come from two high efficiency fission chambers located in the graphite reflector next to the core driver zone. Experiments were conducted at critical state with a reactor power of 0.2 W. The core integral fission rate is obtained from a calibrated miniature fission chamber located at the center of the core. Other results obtained in two sub-critical configurations will be presented elsewhere. Best estimate delayed neutron fraction comes from the Cohn-α method: 747 ± 15 pcm (1σ). In this case, the prompt decay constant is 79 ± 0.5 s{sup -1} and the generation time is 94.5 ± 0.7 μs. Other methods give consistent results within the confidence intervals. Experimental results are compared to calculated values obtained from a full 3D core modeling with the CEA-developed Monte Carlo code TRIPOLI4.9 associated with its continuous energy JEFF3.1.1-based library. A very good agreement is observed for the calculated delayed neutron fraction (748.7 ± 0.4 pcm at 1σ), that is a difference of -0.3% with the experiment. On the contrary, a 10% discrepancy is observed for the calculated generation time (104.4 ± 0.1 μs at 1σ). (authors)

  9. Kinetics and Mechanism of Oxidation of Benzyl Alcohol by Benzimidazolium Fluorochromate

    Directory of Open Access Journals (Sweden)

    J. Dharmaraja

    2008-01-01

    Full Text Available The kinetics of oxidation of benzyl alcohol (BzOH by benzimidazolium fluorochromate (BIFC has been studied in 50% aqueous acetic acid medium at 308 K. The reaction is first order with respect to [oxidant] and [benzyl alcohol]. The reaction is catalysed by hydrogen ions. The decrease in dielectric constant of the medium increases the rate of the reaction. Addition of sodium perchlorate increases the rate of the reaction appreciably. No polymerization with acrylonitrile. The reaction has been conducted at four different temperature and the activation parameters were calculated. From the observed kinetic results a suitable mechanism was proposed.

  10. Analysis of the kinetics of methanol oxidation in a porous Pt-Ru anode

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Yan-Ping; Xing, Lei [Chemical Engineering Department, Taiyuan University of Technology, Shanxi 030024 (China); Scott, Keith [School of Chemical Engineering and Advanced Materials, Merz Court, University of Newcastle, Newcastle upon Tyne NE1 7RU (United Kingdom)

    2010-01-01

    A kinetic model of a porous Pt-Ru anode for methanol oxidation is presented. It was based on the dual-site mechanism for methanol oxidation and used to predict anode performance and the influence of species adsorption on the overall oxidation (macro-) kinetics. The performance of the porous Pt-Ru anode depended on the parameters of the intrinsic chemical kinetics of methanol oxidation and physical parameters such as electrode thickness, surface area, effective diffusion and charge transfer coefficients and concentration of methanol and temperature. The model was solved by using the finite difference method with a subroutine for solving a set of nonlinear algebraic equations in each step. Surface coverage ratio distributions of adsorbed species, effectiveness of the porous electrode and macro-polarisation curves were obtained. The simulated polarisation curves were compared to experimental polarisation data for methanol oxidation on Pt-Ru porous anodes at different temperatures and methanol concentrations. The intrinsic kinetic parameters were regressed from the corresponding experimental data. The predicted polarisation curves calculated by the model, were consistent with experimental polarisation data at lower current densities. The departure of experimental data from the predicted polarisation curves at high concentration and high apparent current densities was believed to be due to two-phase flow in the electrode. (author)

  11. Kinetic coefficients for quark-antiquark plasma

    International Nuclear Information System (INIS)

    Czyz, W.; Florkowski, W.

    1986-03-01

    The quark-antiquark plasma near equilibrium is studied. The results are based on the Heinz kinetic equations with the Boltzmann collision operator approximated by a relaxation term with the relaxation time, τ, treated as a small parameter. Linear in τ solutions of these equations are used to calculate the transport coefficients: the non-abelian version of Ohm's law, and the shear and volume viscosities. We introduce new chemical potentials which determine the color density matrix of quarks (antiquarks). Gradients of these potentials generate color currents. 12 refs. (author)

  12. Simultaneous determination of thermodynamic and kinetic parameters of aminopolycarbonate complexes of cobalt(II) and nickel(II) based on isothermal titration calorimetry data.

    Science.gov (United States)

    Tesmar, Aleksandra; Wyrzykowski, Dariusz; Muñoz, Eva; Pilarski, Bogusław; Pranczk, Joanna; Jacewicz, Dagmara; Chmurzyński, Lech

    2017-04-01

    The influence of the different side chain residues on the thermodynamic and kinetic parameters for complexation reactions of the Co 2 + and Ni 2 + ions has been investigated by using the isothermal titration calorimetry (ITC) technique supported by potentiometric titration data. The study was concerned with the 2 common tripodal aminocarboxylate ligands, namely, nitrilotriacetic acid and N-(2-hydroxyethyl) iminodiacetic acid. Calorimetric measurements (ITC) were run in the 2-(N-morpholino)ethanesulfonic acid hydrate (2-(N-morpholino) ethanesulfonic acid), piperazine-N,N'-bis(2-ethanesulfonic acid), and dimethylarsenic acid buffers (0.1 mol L -1 , pH 6) at 298.15 K. The quantification of the metal-buffer interactions and their incorporation into the ITC data analysis enabled to obtain the pH-independent and buffer-independent thermodynamic parameters (K, ΔG, ΔH, and ΔS) for the reactions under study. Furthermore, the kinITC method was applied to obtain kinetic information on complexation reactions from the ITC data. Correlations, based on kinetic and thermodynamic data, between the kinetics of formation of Co 2 + and Ni 2 + complexes and their thermodynamic stabilities are discussed. Copyright © 2016 John Wiley & Sons, Ltd.

  13. Dynamic Model of Basic Oxygen Steelmaking Process Based on Multi-zone Reaction Kinetics: Model Derivation and Validation

    Science.gov (United States)

    Rout, Bapin Kumar; Brooks, Geoff; Rhamdhani, M. Akbar; Li, Zushu; Schrama, Frank N. H.; Sun, Jianjun

    2018-04-01

    A multi-zone kinetic model coupled with a dynamic slag generation model was developed for the simulation of hot metal and slag composition during the basic oxygen furnace (BOF) operation. The three reaction zones (i) jet impact zone, (ii) slag-bulk metal zone, (iii) slag-metal-gas emulsion zone were considered for the calculation of overall refining kinetics. In the rate equations, the transient rate parameters were mathematically described as a function of process variables. A micro and macroscopic rate calculation methodology (micro-kinetics and macro-kinetics) were developed to estimate the total refining contributed by the recirculating metal droplets through the slag-metal emulsion zone. The micro-kinetics involves developing the rate equation for individual droplets in the emulsion. The mathematical models for the size distribution of initial droplets, kinetics of simultaneous refining of elements, the residence time in the emulsion, and dynamic interfacial area change were established in the micro-kinetic model. In the macro-kinetics calculation, a droplet generation model was employed and the total amount of refining by emulsion was calculated by summing the refining from the entire population of returning droplets. A dynamic FetO generation model based on oxygen mass balance was developed and coupled with the multi-zone kinetic model. The effect of post-combustion on the evolution of slag and metal composition was investigated. The model was applied to a 200-ton top blowing converter and the simulated value of metal and slag was found to be in good agreement with the measured data. The post-combustion ratio was found to be an important factor in controlling FetO content in the slag and the kinetics of Mn and P in a BOF process.

  14. Kinetic studies of the retention of radioactive gases by activated carbon adsorbers

    International Nuclear Information System (INIS)

    Friedrich, V.

    1989-01-01

    A bimolecular reaction model containing the physico-chemical parameters of the adsorption process has been developed to describe the kinetics of a continuously operating adsorption column. An analytical solution of the model was found for low inlet gas concentrations and a cascade-type numerical method was used for calculations at higher inlet concentrations. When calculating accumulation and break-through curves using the cascade method the results show a strong concentration dependence at higher inlet concentrations but with decreasing concentration the curves asymptotically tend to the curve calculated by the analytical solution which is not concentration-dependent. Adsorption and desorption rate constants (K F and K B ) and active site concentration (A o ) were determined by fitting theoretical curves on experimentally measured break-through curves. The values of K F , K B , and A o were 3x10 3 cm 3 mol -1 s -1 , 2.5x10 -4 s -1 and 2.3x10 -3 mol cm -3 , respectively, for the system composed of methyl-iodine vapor as adsorbate and granuled activated carbon as adsorbent. Adsorption isotherms measured under dynamic conditions and at various temperatures were of Langmuir-type. From the temperature-dependence of the kinetic parameters the activation energy was calculated by the help of the Arrhenius-equation and the process was found exotherm with an activation energy of 67 KJ mol -1 (16 kcal mol -1 )

  15. RIA system programming by means of kinetic parameters

    Energy Technology Data Exchange (ETDEWEB)

    Silberring, J; Golda, W [Akademia Medyczna, Krakow (Poland). Dept. of Endocrinology and Metabolism

    1979-12-01

    Insulin-/sup 125/I antibody reaction was optimized by physical-chemical parameters. After the activation energies Esub(a) and Esub(d)-for association and association, respectively were calculated from the experimental data, the theoretical values of the reaction rate constants ksub(a) and ksub(d) were determined as well as equilibrium constants K. By means of the empirical formulae, the approximate incubation time for the RIA kit and maximal percent of insulin-/sup 125/I binding to antibody (%B) in relation to temperature were computed. The proposed method may be applied to the new antigen-binder systems preparation (new antibodies, shortening of the incubation time, temperature changes, influence of different ions and kind of buffer). (orig.) 891 MG/orig. 892 MBE.

  16. Identification of the most sensitive parameters in the activated sludge model implemented in BioWin software.

    Science.gov (United States)

    Liwarska-Bizukojc, Ewa; Biernacki, Rafal

    2010-10-01

    In order to simulate biological wastewater treatment processes, data concerning wastewater and sludge composition, process kinetics and stoichiometry are required. Selection of the most sensitive parameters is an important step of model calibration. The aim of this work is to verify the predictability of the activated sludge model, which is implemented in BioWin software, and select its most influential kinetic and stoichiometric parameters with the help of sensitivity analysis approach. Two different measures of sensitivity are applied: the normalised sensitivity coefficient (S(i,j)) and the mean square sensitivity measure (delta(j)(msqr)). It occurs that 17 kinetic and stoichiometric parameters of the BioWin activated sludge (AS) model can be regarded as influential on the basis of S(i,j) calculations. Half of the influential parameters are associated with growth and decay of phosphorus accumulating organisms (PAOs). The identification of the set of the most sensitive parameters should support the users of this model and initiate the elaboration of determination procedures for the parameters, for which it has not been done yet. Copyright 2010 Elsevier Ltd. All rights reserved.

  17. Analysis of JSI TRIGA MARK II reactor physical parameters calculated with TRIPOLI and MCNP.

    Science.gov (United States)

    Henry, R; Tiselj, I; Snoj, L

    2015-03-01

    New computational model of the JSI TRIGA Mark II research reactor was built for TRIPOLI computer code and compared with existing MCNP code model. The same modelling assumptions were used in order to check the differences of the mathematical models of both Monte Carlo codes. Differences between the TRIPOLI and MCNP predictions of keff were up to 100pcm. Further validation was performed with analyses of the normalized reaction rates and computations of kinetic parameters for various core configurations. Copyright © 2014 Elsevier Ltd. All rights reserved.

  18. Sensitivity analysis in oxidation ditch modelling: the effect of variations in stoichiometric, kinetic and operating parameters on the performance indices

    NARCIS (Netherlands)

    Abusam, A.A.A.; Keesman, K.J.; Straten, van G.; Spanjers, H.; Meinema, K.

    2001-01-01

    This paper demonstrates the application of the factorial sensitivity analysis methodology in studying the influence of variations in stoichiometric, kinetic and operating parameters on the performance indices of an oxidation ditch simulation model (benchmark). Factorial sensitivity analysis

  19. Computer controlled automated assay for comprehensive studies of enzyme kinetic parameters.

    Directory of Open Access Journals (Sweden)

    Felix Bonowski

    Full Text Available Stability and biological activity of proteins is highly dependent on their physicochemical environment. The development of realistic models of biological systems necessitates quantitative information on the response to changes of external conditions like pH, salinity and concentrations of substrates and allosteric modulators. Changes in just a few variable parameters rapidly lead to large numbers of experimental conditions, which go beyond the experimental capacity of most research groups. We implemented a computer-aided experimenting framework ("robot lab assistant" that allows us to parameterize abstract, human-readable descriptions of micro-plate based experiments with variable parameters and execute them on a conventional 8 channel liquid handling robot fitted with a sensitive plate reader. A set of newly developed R-packages translates the instructions into machine commands, executes them, collects the data and processes it without user-interaction. By combining script-driven experimental planning, execution and data-analysis, our system can react to experimental outcomes autonomously, allowing outcome-based iterative experimental strategies. The framework was applied in a response-surface model based iterative optimization of buffer conditions and investigation of substrate, allosteric effector, pH and salt dependent activity profiles of pyruvate kinase (PYK. A diprotic model of enzyme kinetics was used to model the combined effects of changing pH and substrate concentrations. The 8 parameters of the model could be estimated from a single two-hour experiment using nonlinear least-squares regression. The model with the estimated parameters successfully predicted pH and PEP dependence of initial reaction rates, while the PEP concentration dependent shift of optimal pH could only be reproduced with a set of manually tweaked parameters. Differences between model-predictions and experimental observations at low pH suggest additional protonation

  20. An improved hybrid of particle swarm optimization and the gravitational search algorithm to produce a kinetic parameter estimation of aspartate biochemical pathways.

    Science.gov (United States)

    Ismail, Ahmad Muhaimin; Mohamad, Mohd Saberi; Abdul Majid, Hairudin; Abas, Khairul Hamimah; Deris, Safaai; Zaki, Nazar; Mohd Hashim, Siti Zaiton; Ibrahim, Zuwairie; Remli, Muhammad Akmal

    2017-12-01

    Mathematical modelling is fundamental to understand the dynamic behavior and regulation of the biochemical metabolisms and pathways that are found in biological systems. Pathways are used to describe complex processes that involve many parameters. It is important to have an accurate and complete set of parameters that describe the characteristics of a given model. However, measuring these parameters is typically difficult and even impossible in some cases. Furthermore, the experimental data are often incomplete and also suffer from experimental noise. These shortcomings make it challenging to identify the best-fit parameters that can represent the actual biological processes involved in biological systems. Computational approaches are required to estimate these parameters. The estimation is converted into multimodal optimization problems that require a global optimization algorithm that can avoid local solutions. These local solutions can lead to a bad fit when calibrating with a model. Although the model itself can potentially match a set of experimental data, a high-performance estimation algorithm is required to improve the quality of the solutions. This paper describes an improved hybrid of particle swarm optimization and the gravitational search algorithm (IPSOGSA) to improve the efficiency of a global optimum (the best set of kinetic parameter values) search. The findings suggest that the proposed algorithm is capable of narrowing down the search space by exploiting the feasible solution areas. Hence, the proposed algorithm is able to achieve a near-optimal set of parameters at a fast convergence speed. The proposed algorithm was tested and evaluated based on two aspartate pathways that were obtained from the BioModels Database. The results show that the proposed algorithm outperformed other standard optimization algorithms in terms of accuracy and near-optimal kinetic parameter estimation. Nevertheless, the proposed algorithm is only expected to work well in

  1. Kinetic parameters of the GUINEVERE reference configuration in VENUS-F reactor obtained from a pile noise experiment using Rossi and Feynman methods

    Energy Technology Data Exchange (ETDEWEB)

    Geslot, Benoit; Pepino, Alexandra; Blaise, Patrick; Mellier, Frederic [CEA, DEN, DER/SPEx, Cadarache, F-13108 St Paul Lez Durance (France); Lecouey, Jean-Luc [LPC Caen, ENSICAEN, Universite de Caen, CNRS/IN2P3, 6 Bd. Marechal Juin 14050 Caen cedex (France); Carta, Mario [ENEA, UTFISST-REANUC, C.R. Casaccia, S.P.040 via Anguillarese 301, 00123 S. Maria Di Galeria, Roma (Italy); Kochetkov, Anatoly; Vittiglio, Guido [SCK.CEN, Belgian Nuclear Research Centre, Boeretang 200, BE-2400, Mol (Belgium); Billebaud, Annick [LPSC, CNRS, IN2P3/UJF/INPG, 53 Avenue des Martyrs, 38026 Grenoble cedex (France)

    2015-07-01

    A pile noise measurement campaign has been conducted by the CEA in the VENUS-F reactor (SCK-CEN, Mol Belgium) in April 2011 in the reference critical configuration of the GUINEVERE experimental program. The experimental setup made it possible to estimate the core kinetic parameters: the prompt neutron decay constant, the delayed neutron fraction and the generation time. A precise assessment of these constants is of prime importance. In particular, the effective delayed neutron fraction is used to normalize and compare calculated reactivities of different subcritical configurations, obtained by modifying either the core layout or the control rods position, with experimental ones deduced from the analysis of measurements. This paper presents results obtained with a CEA-developed time stamping acquisition system. Data were analyzed using Rossi-α and Feynman-α methods. Results were normalized to reactor power using a calibrated fission chamber with a deposit of Np-237. Calculated factors were necessary to the analysis: the Diven factor was computed by the ENEA (Italy) and the power calibration factor by the CNRS/IN2P3/LPC Caen. Results deduced with both methods are consistent with respect to calculated quantities. Recommended values are given by the Rossi-α estimator, that was found to be the most robust. The neutron generation time was found equal to 0.438 ± 0.009 μs and the effective delayed neutron fraction is 765 ± 8 pcm. Discrepancies with the calculated value (722 pcm, calculation from ENEA) are satisfactory: -5.6% for the Rossi-α estimate and -2.7% for the Feynman-α estimate. (authors)

  2. Photoluminescence and thermoluminescence of K2 Mg(SO4 )2 :Eu and evaluation of its kinetic parameters.

    Science.gov (United States)

    Deshpande, Archana; Dhoble, N S; Gedam, S C; Dhoble, S J

    2017-08-01

    The K 2 Mg(SO 4 ) 2 :Eu phosphor, synthesized by a solid-state diffusion method, was studied for its photoluminescence (PL) and thermoluminescence (TL) characteristics. The X-ray diffraction (XRD) pattern of the material was matched with the standard JCPDF No. 36-1499. For PL characteristics, K 2 Mg(SO 4 ) 2 :Eu 2 + showed an emission peak at 474 nm when excited at 340 nm, while it showed Eu 3 + emission at 580 nm, and 594 nm splitting at 613 nm and 618 nm for an excitation of 396 nm wavelength due to radiative transitions from 5 D 0 to 7 F j (j = 0, 1, 2, 3). The Commission International de I' Eclairage (CIE) chromaticity coordinates were also calculated for the K 2 Mg(SO 4 ) 2 :Eu phosphor, and were close to the NTSC standard values. For the TL study, the prepared sample was irradiated using a 60 Co source of γ-irradiation at the dose rate of 0.322 kGy/h for 2 min. The formation of traps in K 2 Mg (SO 4 ) 2 :Eu and the effects of γ-radiation dose on the glow curve are discussed. Well defined broad glow peaks were obtained at 186°C. With increasing γ-ray dose, the sample showed linearity in intensity. The presence of a single glow peak indicated that there was only one set of traps being activated within the particular temperature range. The presented phosphors were also studied for their fading, reusability and trapping parameters. There was just 2% fading during a period of 30 days, indicating no serious fading problem. Kinetic parameters were calculated using the initial rise method and Chen's half-width method. Activation energy and frequency factor were found to be 0.77 eV and 1.41 × 10 6  sec -1 . Copyright © 2016 John Wiley & Sons, Ltd.

  3. Calculation of parameter failure probability of thermodynamic system by response surface and importance sampling method

    International Nuclear Information System (INIS)

    Shang Yanlong; Cai Qi; Chen Lisheng; Zhang Yangwei

    2012-01-01

    In this paper, the combined method of response surface and importance sampling was applied for calculation of parameter failure probability of the thermodynamic system. The mathematics model was present for the parameter failure of physics process in the thermodynamic system, by which the combination arithmetic model of response surface and importance sampling was established, then the performance degradation model of the components and the simulation process of parameter failure in the physics process of thermodynamic system were also present. The parameter failure probability of the purification water system in nuclear reactor was obtained by the combination method. The results show that the combination method is an effective method for the calculation of the parameter failure probability of the thermodynamic system with high dimensionality and non-linear characteristics, because of the satisfactory precision with less computing time than the direct sampling method and the drawbacks of response surface method. (authors)

  4. Study of the methodology for sensitivity calculations of fast reactors integral parameters

    International Nuclear Information System (INIS)

    Renke, C.A.C.

    1981-06-01

    A study of the methodology for sensitivity calculations of integral parameters of fast reactors for the adjustment of multigroup cross sections is presented. A description of several existent methods and theories is given, with special emphasis being regarded to variational perturbation theory, integrant of the sensitivity code VARI-1D used in this work. Two calculational systems are defined and a set of procedures and criteria is structured gathering the necessary conditions for the determination of the sensitivity coefficients. These coefficients are then computed by both the direct method and the variational perturbation theory. A reasonable number of sensitivity coefficients are computed and analyzed for three fast critical assemblies, covering a range of special interest of the spectrum. These coefficients are determined for severa integral parameters, for the capture and fission cross sections of the U-238 and Pu-239, covering all the energy up to 14.5 MeV. The nuclear data used were obtained the CARNAVAL II calculational system of the Instituto de Engenharia Nuclear. An optimization for sensitivity computations in a chainned sequence of procedures is made, yielding the sensitivities in the energy macrogroups as the final stage. (Author) [pt

  5. Parameters for HL-LHC aperture calculations and comparison with aperture measurements

    CERN Document Server

    Bruce, R; Fartoukh, S; Giovannozzi, M; Redaelli, S; Tomas, R; Wenninger, J

    2014-01-01

    When β∗ is squeezed to smaller values in the LHC, the beam size in the inner triplet increases so that the aperture risks to be exposed to unwanted beam losses. A 2D calculation model was used during the design stage to study the aperture margins, both there and at other potential bottlenecks. Based on assumptions on orbit and optics errors, as well as mechanical tolerances, it gives the available aperture in units of the RMS beam size, which can be compared with what can be protected by the collimation system. During the LHC Run I in 2010-2013, several of the error tolerances have been found smaller than the design assumptions. Furthermore, the aperture has been measured with beam several times and the results are compatible with a very well aligned machine, with results close to the design values. In this report, we therefore review the assumptions in the model and propose an updated set of input parameters to be used for aperture calculations at top energy in HL-LHC. The new parameter set is based on th...

  6. New method for calculations of nanostructure kinetic stability at high temperature

    Science.gov (United States)

    Fedorov, A. S.; Kuzubov, A. A.; Visotin, M. A.; Tomilin, F. N.

    2017-10-01

    A new universal method is developed for determination of nanostructure kinetic stability (KS) at high temperatures, when nanostructures can be destroyed by chemical bonds breaking due to atom thermal vibrations. The method is based on calculation of probability for any bond in the structure to stretch more than a limit value Lmax, when the bond breaks. Assuming the number of vibrations is very large and all of them are independent, using the central limit theorem, an expression for the probability of a given bond elongation up to Lmax is derived in order to determine the KS. It is shown that this expression leads to the effective Arrhenius formula, but unlike the standard transition state theory it allows one to find the contributions of different vibrations to a chemical bond cleavage. To determine the KS, only calculation of frequencies and eigenvectors of vibrational modes in the groundstate of the nanostructure is needed, while the transition states need not be found. The suggested method was tested on calculating KS of bonds in some alkanes, octene isomers and narrow graphene nanoribbons of different types and widths at the temperature T=1200 K. The probability of breaking of the C-C bond in the center of these hydrocarbons is found to be significantly higher than at the ends of the molecules. It is also shown that the KS of the octene isomers decreases when the double C˭C bond is moved to the end of the molecule, which agrees well with the experimental data. The KS of the narrowest graphene nanoribbons of different types varies by 1-2 orders of magnitude depending on the width and structure, while all of them are by several orders of magnitude less stable at high temperature than the hydrocarbons and benzene.

  7. Adsorption of a cationic dye (Yellow Basic 28 ontothe calcined mussel shells: Kinetics, Isotherm and Thermodynamic Parameters

    Directory of Open Access Journals (Sweden)

    Imane EL Ouahabi

    2015-11-01

    Full Text Available The aim of this study is to valorise the mussel shells and evaluate the adsorption capacity of calcined mussel shells for the cationic dyes.  The adsorbent was characterized by DRX, FTIR, BET and SEM, respectively. The adsorption of Yellow Basic28 on calcined mussel shells was investigated using the parameters such as concentrations (10-50mg/L, pH (3-10, ionic strength (0-2 mol / L and temperature (288 - 318 °C.  The adsorption rate data were analysed according to the first and second-order kinetic models.  The adsorption kinetics was found to be best represented by the pseudo-second-order kinetic model.  The experimental isotherm data were analyzed using Langmuir, Freundlich, Temkin, Elovich and Dubinin–Radushkevich isotherm equations on the dye-adsorbent system. The experimental data yielded excellent fits with Freundlich isotherm equation (R² = 0.966. It was indicative of the heterogeneity of the adsorption sites on the CMS particles.  Various thermodynamic parameters such as enthalpy of adsorption ΔH°, free energy change ΔG°and entropy ΔS° were estimated.  The positive value of ΔH°(30.321 kJ/mol and negative values of ΔG° (from -5.392 to -2.873 kJ/mol show the process is endothermic and spontaneous.  The negative value of entropy ΔS° (-87.172 J/mol K suggest the decreased randomness at the solid-liquid interface during the adsorption of dyes onto calcined mussel shells.

  8. Calculation and Identification of the Aerodynamic Parameters for Small-Scaled Fixed-Wing UAVs

    Directory of Open Access Journals (Sweden)

    Jieliang Shen

    2018-01-01

    Full Text Available The establishment of the Aircraft Dynamic Model (ADM constitutes the prerequisite for the design of the navigation and control system, but the aerodynamic parameters in the model could not be readily obtained especially for small-scaled fixed-wing UAVs. In this paper, the procedure of computing the aerodynamic parameters is developed. All the longitudinal and lateral aerodynamic derivatives are firstly calculated through semi-empirical method based on the aerodynamics, rather than the wind tunnel tests or fluid dynamics software analysis. Secondly, the residuals of each derivative are proposed to be identified or estimated further via Extended Kalman Filter(EKF, with the observations of the attitude and velocity from the airborne integrated navigation system. Meanwhile, the observability of the targeted parameters is analyzed and strengthened through multiple maneuvers. Based on a small-scaled fixed-wing aircraft driven by propeller, the airborne sensors are chosen and the model of the actuators are constructed. Then, real flight tests are implemented to verify the calculation and identification process. Test results tell the rationality of the semi-empirical method and show the improvement of accuracy of ADM after the compensation of the parameters.

  9. Calculation and Identification of the Aerodynamic Parameters for Small-Scaled Fixed-Wing UAVs.

    Science.gov (United States)

    Shen, Jieliang; Su, Yan; Liang, Qing; Zhu, Xinhua

    2018-01-13

    The establishment of the Aircraft Dynamic Model(ADM) constitutes the prerequisite for the design of the navigation and control system, but the aerodynamic parameters in the model could not be readily obtained especially for small-scaled fixed-wing UAVs. In this paper, the procedure of computing the aerodynamic parameters is developed. All the longitudinal and lateral aerodynamic derivatives are firstly calculated through semi-empirical method based on the aerodynamics, rather than the wind tunnel tests or fluid dynamics software analysis. Secondly, the residuals of each derivative are proposed to be identified or estimated further via Extended Kalman Filter(EKF), with the observations of the attitude and velocity from the airborne integrated navigation system. Meanwhile, the observability of the targeted parameters is analyzed and strengthened through multiple maneuvers. Based on a small-scaled fixed-wing aircraft driven by propeller, the airborne sensors are chosen and the model of the actuators are constructed. Then, real flight tests are implemented to verify the calculation and identification process. Test results tell the rationality of the semi-empirical method and show the improvement of accuracy of ADM after the compensation of the parameters.

  10. Memory-efficient calculations of adjoint-weighted tallies by the Monte Carlo Wielandt method

    International Nuclear Information System (INIS)

    Choi, Sung Hoon; Shim, Hyung Jin

    2016-01-01

    Highlights: • The MC Wielandt method is applied to reduce memory for the adjoint estimation. • The adjoint-weighted kinetics parameters are estimated in the MC Wielandt calculations. • The MC S/U analyses are conducted in the MC Wielandt calculations. - Abstract: The current Monte Carlo (MC) adjoint-weighted tally techniques based on the iterated fission probability (IFP) concept require a memory amount which is proportional to the numbers of the adjoint-weighted tallies and histories per cycle to store history-wise tally estimates during the convergence of the adjoint flux. Especially the conventional MC adjoint-weighted perturbation (AWP) calculations for the nuclear data sensitivity and uncertainty (S/U) analysis suffer from the huge memory consumption to realize the IFP concept. In order to reduce the memory requirement drastically, we present a new adjoint estimation method in which the memory usage is irrelevant to the numbers of histories per cycle by applying the IFP concept for the MC Wielandt calculations. The new algorithms for the adjoint-weighted kinetics parameter estimation and the AWP calculations in the MC Wielandt method are implemented in a Seoul National University MC code, McCARD and its validity is demonstrated in critical facility problems. From the comparison of the nuclear data S/U analyses, it is demonstrated that the memory amounts to store the sensitivity estimates in the proposed method become negligibly small.

  11. Theoretical calculations of spin-Hamiltonian parameters for the rhombic-like Mo5+ centers in KTiOPO4 crystal

    International Nuclear Information System (INIS)

    Yang, Mei; Wen-Chen, Zheng; Hong-Gang, Liu

    2013-01-01

    The spin-Hamiltonian parameters (g factors g i and hyperfine structure constants A i , were i=x, y and z) for Mo 5+ ion occupying the Ti(1) site with approximately rhombic symmetry in KTiOPO 4 crystal are calculated from the high-order perturbation formulas based on the two-mechanism model. In the model, not only the contribution due to the conventional crystal-field (CF) mechanism, but also those due to the charge-transfer (CT) mechanism are included. The six calculated spin-Hamiltonian parameters with four adjustable parameters are in reasonable agreement with the experimental values. The calculations show that for more accurate calculations of spin-Hamiltonian parameters of the high valence d n ions (e.g., Mo 5+ considered here) in crystals, the contribution from CT mechanism, which is ignored in the conventional crystal field theory, should be taken into account. The reasonable crystal field energy levels of Mo 5+ in KTiOPO 4 are also predicted from calculations

  12. A comparison of region-based and pixel-based CEUS kinetics parameters in the assessment of arthritis

    Science.gov (United States)

    Grisan, E.; Raffeiner, B.; Coran, A.; Rizzo, G.; Ciprian, L.; Stramare, R.

    2014-03-01

    Inflammatory rheumatic diseases are leading causes of disability and constitute a frequent medical disorder, leading to inability to work, high comorbidity and increased mortality. The gold-standard for diagnosing and differentiating arthritis is based on patient conditions and radiographic findings, as joint erosions or decalcification. However, early signs of arthritis are joint effusion, hypervascularization and synovial hypertrophy. In particular, vascularization has been shown to correlate with arthritis' destructive behavior, more than clinical assessment. Contrast Enhanced Ultrasound (CEUS) examination of the small joints is emerging as a sensitive tool for assessing vascularization and disease activity. The evaluation of perfusion pattern rely on subjective semi-quantitative scales, that are able to capture the macroscopic degree of vascularization, but are unable to detect the subtler differences in kinetics perfusion parameters that might lead to a deeper understanding of disease progression and a better management of patients. Quantitative assessment is mostly performed by means of the Qontrast software package, that requires the user to define a region of interest, whose mean intensity curve is fitted with an exponential function. We show that using a more physiologically motivated perfusion curve, and by estimating the kinetics parameters separately pixel per pixel, the quantitative information gathered is able to differentiate more effectively different perfusion patterns. In particular, we will show that a pixel-based analysis is able to provide significant markers differentiating rheumatoid arthritis from simil-rheumatoid psoriatic arthritis, that have non-significant differences in clinical evaluation (DAS28), serological markers, or region-based parameters.

  13. Stepwise optimization and global chaos of nonlinear parameters in exact calculations of few-particle systems

    International Nuclear Information System (INIS)

    Frolov, A.M.

    1986-01-01

    The problem of exact variational calculations of few-particle systems in the exponential basis of the relative coordinates using nonlinear parameters is studied. The techniques of stepwise optimization and global chaos of nonlinear parameters are used to calculate the S and P states of homonuclear muonic molecules with an error of no more than +0.001 eV. The global-chaos technique also has proved to be successful in the case of the nuclear systems 3 H and 3 He

  14. First-principles calculations of Moessbauer hyperfine parameters for solids and large molecules

    International Nuclear Information System (INIS)

    Guenzburger, Diana; Ellis, D.E.; Zeng, Z.

    1997-10-01

    Electronic structure calculations based on Density Functional theory were performed for solids and large molecules. The solids were represented by clusters of 60-100 atoms embedded in the potential of the external crystal. Magnetic moments and Moessbauer hyperfine parameters were derived. (author)

  15. Kinetics of in situ combustion. SUPRI TR 91

    Energy Technology Data Exchange (ETDEWEB)

    Mamora, D.D.; Ramey, H.J. Jr.; Brigham, W.E.; Castanier, L.M.

    1993-07-01

    Oxidation kinetic experiments with various crude oil types show two reaction peaks at about 250{degree}C (482{degree}F) and 400{degree}C (725{degree}F). These experiments lead to the conclusion that the fuel during high temperature oxidation is an oxygenated hydrocarbon. A new oxidation reaction model has been developed which includes two partially-overlapping reactions: namely, low-temperature oxidation followed by high-temperature oxidation. For the fuel oxidation reaction, the new model includes the effects of sand grain size and the atomic hydrogen-carbon (H/C) and oxygen-carbon (O/C) ratios of the fuel. Results based on the new model are in good agreement with the experimental data. Methods have been developed to calculate the atomic H/C and O/C ratios. These methods consider the oxygen in the oxygenated fuel, and enable a direct comparison of the atomic H/C ratios obtained from kinetic and combustion tube experiments. The finding that the fuel in kinetic tube experiments is an oxygenated hydrocarbon indicates that oxidation reactions are different in kinetic and combustion tube experiments. A new experimental technique or method of analysis will be required to obtain kinetic parameters for oxidation reactions encountered in combustion tube experiments and field operations.

  16. Engineering method of calculation and choice of main parameters of the linear induction accelerator inductors

    Directory of Open Access Journals (Sweden)

    В.Т. Чемерис

    2006-04-01

    Full Text Available  There is a method of simplified calculation and design parameters choice elaborated in this article with corresponding basing for the induction system of electron-beam sterilizer on the base of linear induction accelerator taking into account the parameters of magnetic material for production of cores and parameters of pulsed voltage.

  17. Determination of kinetic parameters during the thermal decomposition of epoxy/carbon fiber composite material

    International Nuclear Information System (INIS)

    Lee, Jae Hun; Kim, Kwang Seok; Kim, Hyo

    2013-01-01

    An in-depth study to determine the thermal decomposition kinetics parameters such as the activation energy E_a, the reaction order n, and the pre-exponential factor A of epoxy/carbon fiber composite material has been conducted. We employ not only the modified peak property method that is proposed here, but also the conventional method in analyzing the experimental data, and compare the results to show the performance of the proposed model. The pyrolysis tests for the epoxy/carbon fiber composite materials are conducted by using thermogravimetric analyser at various heating rates. As a result, the best prediction to the experimental data can be obtained by the modified peak property method. Besides, among the methods applied here, the modified peak property method provides most convenient way to recover the parameters: it does not require a curve fitting of the data nor a long iterative computation

  18. Tracer kinetic modelling of receptor data with mathematical metabolite correction

    International Nuclear Information System (INIS)

    Burger, C.; Buck, A.

    1996-01-01

    Quantitation of metabolic processes with dynamic positron emission tomography (PET) and tracer kinetic modelling relies on the time course of authentic ligand in plasma, i.e. the input curve. The determination of the latter often requires the measurement of labelled metabilites, a laborious procedure. In this study we examined the possibility of mathematical metabolite correction, which might obviate the need for actual metabolite measurements. Mathematical metabilite correction was implemented by estimating the input curve together with kinetic tissue parameters. The general feasibility of the approach was evaluated in a Monte Carlo simulation using a two tissue compartment model. The method was then applied to a series of five human carbon-11 iomazenil PET studies. The measured cerebral tissue time-activity curves were fitted with a single tissue compartment model. For mathematical metabolite correction the input curve following the peak was approximated by a sum of three decaying exponentials, the amplitudes and characteristic half-times of which were then estimated by the fitting routine. In the simulation study the parameters used to generate synthetic tissue time-activity curves (K 1 -k 4 ) were refitted with reasonable identifiability when using mathematical metabolite correciton. Absolute quantitation of distribution volumes was found to be possible provided that the metabolite and the kinetic models are adequate. If the kinetic model is oversimplified, the linearity of the correlation between true and estimated distribution volumes is still maintained, although the linear regression becomes dependent on the input curve. These simulation results were confirmed when applying mathematical metabolite correction to the 11 C iomazenil study. Estimates of the distribution volume calculated with a measured input curve were linearly related to the estimates calculated using mathematical metabolite correction with correlation coefficients >0.990. (orig./MG)

  19. Thermal Dehydration Kinetics of Gypsum and Borogypsum under Non-isothermal Conditions

    Institute of Scientific and Technical Information of China (English)

    I.Y.Elbeyli; S.Piskin

    2004-01-01

    Thermal dehydration of gypsum and borogypsum was investigated under nonisothermal conditions in air by using simultaneous thermogravimetric-differential thermal analyzer. Nonisothermal experiments were carried out at various linear heating rates. Kinetics of dehydration in the temperature range of 373-503 K were evaluated from the DTA (differential thermal analysis)-TGA (thermogravimetric analysis) data by means of Coats-Redfern,Kissinger and Doyle Equations. Values of the activation energy and the pre-exponential factor of the dehydration were calculated. The results of thermal experiments and kinetic parameters indicated that borogypsum is similar to gypsum from dehydration mechanism point of view although it consists of boron and small amount of alkali metal oxides.

  20. Measurement of kinetic parameters in the fast subcritical core MASURCA

    International Nuclear Information System (INIS)

    Baeten, Peter; Abderrahim, Hamid Aiet

    2004-01-01

    In the MUSE shared cost action of the European Fifth Framework Program measurements have been performed to investigate the neutronic behavior of the fast subcritical core MASURCA coupled with the GENEPI accelerator. The aim is to examine the applicability of different measurement techniques for the determination of the main kinetic parameters. The measurement of Rossi-alpha distributions, recorded with the accelerator turned off, showed that the analysis of the obtained distributions is feasible for deep subcritical levels, but with strongly deteriorated statistics. From Rossi-alpha distributions, recorded with the pulsed neutron source in operation, the alpha decay constant was easily derived due to good statistics on the correlated signal resulting from the strong intensity of the neutron pulse. When applying the pulsed neutron source analysis, the reactivity (in dollars) together with the ratio of the mean neutron lifetime l and the effective delayed neutron fraction β eff is immediately derived. Although these first results are very promising, further measurements are needed to qualify the method at larger subcritical levels which are representative for future ADS

  1. PULSTRI-1 computer program for mixed core pulse calculation

    International Nuclear Information System (INIS)

    Ravnik, M.; Mele, I.; Dimic, V.

    1990-01-01

    PUISTRI-1 is a computer code designed for calculations of the pulse parameters of TRIGA Mark II reactor with mixed core. The code is provided with data for four types of fuel elements: standard 8.5 and 12 w/o, LEU and FLIP. The pulse parameters, such as maximum power, prompt pulse energy and average fuel temperatures are calculated in adiabatic point kinetics, approximation, modified by taking into account temperature dependence of fuel temperature reactivity coefficient and thermal capacity factor averaged over all elements in the core. Maximal fuel temperature at power peaking location is calculated from total released energy using total power peaking factor and heat capacity of the element at the location of the power peaking. Results of the code were compared to data found in references (mainly General Atomics safety analysis reports) showing good agreement for all main pulse parameters. The most important parameters, average and maximal fuel temperature, are found to be systematically slightly overpredicted (20 C and 50 C, respectively). Other parameters (energy, peak power, width) agree within ± 10 % to the reference values. The code is written in FORTRAN for IBM PC computer. The input is user friendly. running time of IBM PC AT is a few seconds. It is designed for practical applications in pulse experiments as an analytical tool for predicting pulse parameters. (orig.)

  2. Kinetics of enzymatic synthesis of liquid wax ester from oleic acid and oleyl alcohol.

    Science.gov (United States)

    Radzi, Salina Mat; Mohamad, Rosfarizan; Basri, Mahiran; Salleh, Abu Bakar; Ariff, Arbakariya; Rahman, Mohammad Basyaruddin Abdul; Rahman, Raja Noor Zaliha Raja Abdul

    2010-01-01

    The kinetics of wax ester synthesis from oleic acid and oleyl alcohol using immobilized lipase from Candida antartica as catalyst was studied with different types of impeller (Rushton turbine and AL-hydrofoil) to create different mixing conditions in 2l stirred tank reactor. The effects of catalyst concentration, reaction temperature, and impeller tip speed on the synthesis were also evaluated. Rushton turbine impeller exhibited highest conversion rate at lower impeller tip speed as compared to AL-hydrofoil impeller. A second-order reversible kinetic model from single progress curve for the prediction of fractional conversion at given reaction time was proposed and the corresponding kinetic parameter values were calculated by non-linear regression method. The results from the simulation using the proposed model showed satisfactory agreement with the experimental data. Activation energy shows a value of 21.77 Kcal/mol. The thermodynamic parameters of the process, enthalpy and entropy, were 21.15 Kcal/mol and 52.07 cal/mol.K, respectively.

  3. On kinetics and mechanism of' furfural oxidation by ions of heterovalent metals

    International Nuclear Information System (INIS)

    Krupenskij, V.I.

    1983-01-01

    Real constants of rate of furfural oxidation by Cu 2+ , Fe 3+ , Ce 4+ , Ag + , Hg 2+ 2 ions are determined, other kinetic and activation parameters of reactions are calculated, constants of stability and other thermodynamic characteristics of furfural complex with cations-oxidizers are found. Schemes of furfural transformations at one- and two-electron oxidation by ions of variable-valency metals are suggested

  4. Variability and reproducibility of rubidium-82 kinetic parameters in the myocardium of the anesthetized canine

    International Nuclear Information System (INIS)

    Coxson, P.G.; Brennan, K.M.; Huesman, R.H.

    1995-01-01

    Kinetic analysis of 82 Rb (I) dynamic PET data produces quantitative measures which could be used to evaluate ischemic heart disease. These measures have the potential to generate objective comparisons of different patients or the same patient at different times. To achieve this potential, it is essential to determine the variability and reproducibility of the kinetic parameters. A total of 48 I dynamic PET datasets were acquired from two pure bred beagles. Each animal underwent eight I PET studies with essentially the same protocol for three successive weeks. Data were acquired with the Donner 600-Crystal Positron Tomograph (PET600). In each week, single-slice dynamic I PET datasets were collected with the animal at rest at three different gantry positions separated by 5 mm. Additional dataset were collected after dipyridamole infusion and after administration of aminophylline to induce a return to rest. A two-compartment kinetic model with correction for myocardial vasculature and spillover from the left ventricular blood pool was used to analyze the dynamic datasets. Model parameters for uptake (k 1 ), washout (k 2 ) and vascular fraction (f v ) were estimated in 11-14 myocardial regions of interest (ROIs) using a weighted least-squares criterion. Statistical fluctuation due to the PET acquisition process was minimized by using a relatively high I dose (about 30 mCi) to take advantage of the high count rate capacity of the PET600. The variation in mean k 1 , where the mean is taken over the myocardial ROIs was 10%-20% (Dog 1) and 15%-50% (Dog 2) among the rest studies conducted on the same data. Similar variation was evident in comparing studies in the same animal for different weeks. Spatial and temporal variation in estimates of the uptake rate (k 1 ) of I in the resting myocardium of the anesthetized canine are small in relation to the functional increase in k 1 , following dipyridamole stress. 17 refs., 14 figs

  5. Synthesis and thermal decomposition kinetics of Th(IV) complex with unsymmetrical Schiff base ligand

    International Nuclear Information System (INIS)

    Fan Yuhua; Bi Caifeng; Liu Siquan; Yang Lirong; Liu Feng; Ai Xiaokang

    2006-01-01

    A new unsymmetrical Schiff base ligand (H 2 LLi) was synthesized using L-lysine, o-vanillin and salicylaladyde. Thorium(IV) complex of this ligand [Th(H 2 L)(NO 3 )](NO 3 ) 2 x 3H 2 O have been prepared and characterized by elemental analyses, IR, UV and molar conductance. The thermal decomposition kinetics of the complex for the second stage was studied under non-isothermal condition by TG and DTG methods. The kinetic equation may be expressed as: dα/dt = A x e -E/RT x 1/2 (1-α) x [-ln(1-α)] -1 . The kinetic parameters (E, A), activation entropy ΔS ≠ and activation free-energy ΔG ≠ were also calculated. (author)

  6. Time of erythema onset after application of methyl nicotinate ointments as response parameter: influence of penetration kinetics and enhancing agents.

    Science.gov (United States)

    Remane, Y; Leopold, C S

    2006-01-01

    The time of erythema onset may be used as a response parameter for quantification of the cutaneous erythema response induced by methyl nicotinate. The vehicles light mineral oil (LMO; test) and medium chain triglycerides (MCT; standard) were compared with regard to the pharmacodynamic response. Moreover, the influence of penetration enhancers on the time of erythema onset was investigated under zero order penetration kinetics. The enhancers dimethyl sulfoxide, diethylene glycol monoethyl ether and three different glycerides in different concentrations were added to MCT as a standard vehicle. All preparations were applied to the forearms of volunteers under infinite dose conditions at different thermodynamic drug activity levels (0.2-3.2% of the saturation level) and different drug concentrations (0.051-0.816%), respectively. Different penetration kinetics do not influence data of erythema onset, as these data are comparable to those obtained under finite dose conditions (first order penetration kinetics). With regard to the penetration enhancers, a significantly enhanced penetration of methyl nicotinate could be observed only for diethylene glycol monoethyl ether and dimethyl sulfoxide. However, no significant difference between light mineral oil and MCT could be found with regard to penetration enhancement. The time of erythema onset is an easy and efficient parameter for quantification of the pharmacodynamic response caused by nicotinates.

  7. Kinetic equation solution by inverse kinetic method

    International Nuclear Information System (INIS)

    Salas, G.

    1983-01-01

    We propose a computer program (CAMU) which permits to solve the inverse kinetic equation. The CAMU code is written in HPL language for a HP 982 A microcomputer with a peripheral interface HP 9876 A ''thermal graphic printer''. The CAMU code solves the inverse kinetic equation by taking as data entry the output of the ionization chambers and integrating the equation with the help of the Simpson method. With this program we calculate the evolution of the reactivity in time for a given disturbance

  8. Kinetic and allometric models for dosimetry using radiopharmaceuticals labeled with lanthanides

    International Nuclear Information System (INIS)

    Lima, Marina Ferreira

    2012-01-01

    This work proposes two models based in compartmental analyses: Animal model and Human model, using images from gamma camera measurements to determinate the kinetic constants of the 177 Lu-DOTATATE to three animal species (rat Wistar, Armenian hamster and Syrian hamster) and to the human in biodistribution studies split in two phases: Phase 1 governed by uptake from the blood and Phase 2 governed by the real excretion. The kinetic constants obtained from the animals' data ere used to build allometric scaling to predict radiopharmaceutical biodistribution in the human employing relations by mass, metabolism, by life span and by physiological parameters. These extrapolation results were compared with the PRRT (Peptide receptor radiotherapy) patients kinetic data calculated using the Human model. The kinetic constants obtained from humans were used in dose assessment to PRRT patients considering MIRD 26 organs and tissues. Dosimetry results were in agreement with available results from literature. For the Phase 1 allometric scaling from kinetic data from the blood to the organs straight responsible for the 177 Lu-DOTATATE metabolism and excretion - liver, kidneys and urinary bladder -show good correlation in the scaling by mass, metabolism and physiological and parameters. For the Phase 2, only the kinetic data from blood to the liver and to the kidneys show good correlation. Based in the anaesthetics inhibitory action over the renal excretion, there is not empirical basis to allow measurement times over 40 minutes in in vivo studies with small animals. Consequently, the Phase 1 results seem enough to make allometric scaling to assessment dose in PRRT. (author)

  9. Neutron quality parameters versus energy below 4 MeV from microdosimetric calculations

    International Nuclear Information System (INIS)

    Stinchcomb, T.G.; Borak, T.B.

    1983-01-01

    Charged-particle production by neutrons and the resulting energy-deposition spectra in micron-sized spheres of tissue of varying diameters were calculated from thermal energies to 4 MeV. These data were used to obtain dose-average values of several quality-indicating parameters as functions of neutron energy and of tissue sphere diameter. The contrast among the parameters is shown and discussed. Applications are made to two neutron spectra, one a fission spectrum in air and the other a moderated spectrum at the center of an irradiated cube of water

  10. Intrinsic kinetic parameters of substrate utilization by immobilized anaerobic sludge.

    Science.gov (United States)

    Zaiat, M; Vieira, L G; Foresti, E

    1997-01-20

    This article presents a method for evaluating the intrinsic kinetic parameters of the specific substrate utilization rate (r) equation and discusses the results obtained for anaerobic sludge-bed samples taken from a horizontal-flow anaerobic immobilized sludge (HAIS) reactor. This method utilizes a differential reactor filled with polyurethane foam matrices containing immobilized anaerobic sludge which is subjected to a range of feeding substrate flow rates. The range of liquid superficial velocities thus obtained are used for generating data of observed specific substrate utilization rates (r(obs)) under a diversity of external mass transfer resistance conditions. The r(obs) curves are then adjusted to permit their extrapolation for the condition of no external mass transfer resistance, and the values determined are used as a test for the condition of absence of limitation of internal mass transfer. The intrinsic parameters r(max), the maximum specific substrate utilization rate, and K(s), the half-velocity coefficient, are evaluated from the r values under no external mass transfer resistance and no internal mass transfer limitation. The application of such a method for anaerobic sludge immobilized in polyurethane foam particles treating a glucose substrate at 30 degrees C resulted in intrinsic r(max) and K(s), respectively, of 0.330 mg chemical oxygen demand (COD) . mg(-1) volatile suspended solids (VSS) . h(-1) and 72 mg COD . L(-1). In comparison with the values found in the literature, intrinsic r(max) is significantly high and intrinsic K(s) is relatively low. (c) 1997 John Wiley & Sons, Inc.

  11. Semi-analytic calculations for the impact parameter dependence of electromagnetic multi-lepton pair production

    International Nuclear Information System (INIS)

    Gueclue, M.C.

    2000-01-01

    We provide a new general semi-analytic derivation of the impact parameter dependence of lowest order electromagnetic lepton-pair production in relativistic heavy-ion collisions. By using this result we have also calculated the related analytic multiple-pair production in the two-photon external-field model. We have compared our results with the equivalent-photon approximation and other calculations

  12. Calculation of the separate parameters of a countercurrent centrifuge with an axially varying internal flow

    International Nuclear Information System (INIS)

    Migliavacca, S.C.P.

    1991-01-01

    A review of the isotope separation theory for the countercurrent gas centrifuge is presented. The diffusion-convection equation is solved according to the ONSAGER-COHEN solution for the constant internal flow and adapted to an axially varying countercurrent flow. Based on that theory, a numerical program is developed for the calculation of the isotopic compositions and the separative parameters of the centrifuge. The influence of the feed flow and the internal parameters. Like cut and countercurrent flow, on the separative parameters is then analysed for a model-centrifuge, which afterwards is optimized with respect to its separative power. Finally, a comparison between the present calculation procedure and some published results, provided by different theories, shows deviations lower then 20%. (author)

  13. Calculation of electron-beam induced displacement in thin films by using parameter-reduced formulas

    Energy Technology Data Exchange (ETDEWEB)

    Yan, Qiang [College of Nuclear Science and Technology, Harbin Engineering University, Harbin 150001 (China); Chen, Di [Department of Nuclear Engineering, Texas A& M University, College Station, TX 77843 (United States); Wang, Qingyu; Li, Zhongyu [College of Nuclear Science and Technology, Harbin Engineering University, Harbin 150001 (China); Shao, Lin, E-mail: lshao@tamu.edu [Department of Nuclear Engineering, Texas A& M University, College Station, TX 77843 (United States)

    2017-03-01

    Based on the Mott cross sections of relativistic electron collisions with atoms, we calculate displacement creation by electron beams of arbitrary energies (up to 100 MeV) in thin films of arbitrary atomic numbers (up to Z = 90). In a comparison with Mont Carlo full damage cascade simulations, we find that total number of displacements in a film can be accurately estimated as the product of average displacements created per collision and average collision numbers in the film. To calculate average displacements per electron-atom collision, energy transfer from Mott cross section is combined with NRT model. To calculate collision numbers, mean deflection angles and multi-scattering theory are combined to extract collision number dependence on film thickness. For each key parameter, parameter-reduced formulas are obtained from data fitting. The fitting formulas provide a quick and accurate method to estimate radiation damage caused by electron beams.

  14. Kinetic study of enzymatic hydrolysis of potato starch

    Directory of Open Access Journals (Sweden)

    Óscar Fernando Castellanos Domínguez

    2004-01-01

    Full Text Available This article describes the kinetic study of potato starch enzymatic hydrolysis using soluble enzymes (Novo Nordisk. Different assays divided into four groups were used: reaction time (with which it was possible to reduce the 48-72 hour duration reported in the literature to 16 hours with comparable productivity levels; selecting the set of enzymes to be used (different types were evaluated - BAN and Termamyl as alfa-amylases during dextrinisation stage, and AMG, Promozyme and Fungamyl for sacarification reaction- identifying those presenting the best performance during hydrolysis.Reaction conditions were optimised for the process's two stages (destrinisation and sacarification. Enzyme dose, calcium cofactor concentration, pH, temperature and agitation speed were studied for the first stage. Enzyme ratio, pH and agitation speed were studied for sacarification; the latter parameter reported values having no antecedents in the literature (60 rpm and 30 rpm for first and second reactions, respectively. Michaelis Menten kinetics were calculated once conditions had been optimised, varying substrate from 10-50% P/V, obtaining km and Vmax kinetic parameters for each reaction. A kinetic model was found according to local working conditions which was able to explain potato starch conversion to glucose syrup, achieving 96 dextrose equivalents by the end of the reaction, being well within the maximum range reported in the literature (94-98.Laboratory equipment was constructed prior to carrying out assays which was able to reproduce and improve the conditions reported in the literature, making it a useful, reliable tool for use in assays returning good results.

  15. Calculations of the electronic levels, spin-Hamiltonian parameters and vibrational spectra for the CrCl{sub 3} layered crystals

    Energy Technology Data Exchange (ETDEWEB)

    Avram, C.N. [Faculty of Physics, West University of Timisoara, Bd. V. Parvan No. 4, 300223 Timisoara (Romania); Gruia, A.S., E-mail: adigruia@yahoo.com [Faculty of Physics, West University of Timisoara, Bd. V. Parvan No. 4, 300223 Timisoara (Romania); Brik, M.G. [College of Sciences, Chongqing University of Posts and Telecommunications, Chongqing 400065 (China); Institute of Physics, University of Tartu, Ravila 14C, Tartu 50411 (Estonia); Institute of Physics, Jan Dlugosz University, Armii Krajowej 13/15, PL-42200 Czestochowa (Poland); Institute of Physics, Polish Academy of Sciences, Al. Lotników 32/46, 02-668 Warsaw (Poland); Barb, A.M. [Faculty of Physics, West University of Timisoara, Bd. V. Parvan No. 4, 300223 Timisoara (Romania)

    2015-12-01

    Calculations of the Cr{sup 3+} energy levels, spin-Hamiltonian parameters and vibrational spectra for the layered CrCl{sub 3} crystals are reported for the first time. The crystal field parameters and the energy level scheme were calculated in the framework of the Exchange Charge Model of crystal field. The spin-Hamiltonian parameters (zero-field splitting parameter D and g-factors) for Cr{sup 3+} ion in CrCl{sub 3} crystals were obtained using two independent techniques: i) semi-empirical crystal field theory and ii) density functional theory (DFT)-based model. In the first approach, the spin-Hamiltonian parameters were calculated from the perturbation theory method and the complete diagonalization (of energy matrix) method. The infrared (IR) and Raman frequencies were calculated for both experimental and fully optimized geometry of the crystal structure, using CRYSTAL09 software. The obtained results are discussed and compared with the experimental available data.

  16. First-principles calculations of Moessbauer hyperfine parameters for solids and large molecules

    Energy Technology Data Exchange (ETDEWEB)

    Guenzburger, Diana [Centro Brasileiro de Pesquisas Fisicas (CBPF), Rio de Janeiro, RJ (Brazil); Ellis, D.E. [Northwestern Univ., Evanston, IL (United States). Dept. of Physics; Zeng, Z. [Academia Sinica, Hefei, AH (China). Inst. of Solid-State Physics

    1997-10-01

    Electronic structure calculations based on Density Functional theory were performed for solids and large molecules. The solids were represented by clusters of 60-100 atoms embedded in the potential of the external crystal. Magnetic moments and Moessbauer hyperfine parameters were derived. (author) 22 refs., 8 figs., 1 tab.

  17. Monte Carlo sampling on technical parameters in criticality and burn-up-calculations

    International Nuclear Information System (INIS)

    Kirsch, M.; Hannstein, V.; Kilger, R.

    2011-01-01

    The increase in computing power over the recent years allows for the introduction of Monte Carlo sampling techniques for sensitivity and uncertainty analyses in criticality safety and burn-up calculations. With these techniques it is possible to assess the influence of a variation of the input parameters within their measured or estimated uncertainties on the final value of a calculation. The probabilistic result of a statistical analysis can thus complement the traditional method of figuring out both the nominal (best estimate) and the bounding case of the neutron multiplication factor (k eff ) in criticality safety analyses, e.g. by calculating the uncertainty of k eff or tolerance limits. Furthermore, the sampling method provides a possibility to derive sensitivity information, i.e. it allows figuring out which of the uncertain input parameters contribute the most to the uncertainty of the system. The application of Monte Carlo sampling methods has become a common practice in both industry and research institutes. Within this approach, two main paths are currently under investigation: the variation of nuclear data used in a calculation and the variation of technical parameters such as manufacturing tolerances. This contribution concentrates on the latter case. The newly developed SUnCISTT (Sensitivities and Uncertainties in Criticality Inventory and Source Term Tool) is introduced. It defines an interface to the well established GRS tool for sensitivity and uncertainty analyses SUSA, that provides the necessary statistical methods for sampling based analyses. The interfaced codes are programs that are used to simulate aspects of the nuclear fuel cycle, such as the criticality safety analysis sequence CSAS5 of the SCALE code system, developed by Oak Ridge National Laboratories, or the GRS burn-up system OREST. In the following, first the implementation of the SUnCISTT will be presented, then, results of its application in an exemplary evaluation of the neutron

  18. Calculation of nuclear reaction parameters with the generator co-ordinate method and their interpretation

    International Nuclear Information System (INIS)

    Beck, R.; Mihailovic, M.V.; Poljsak, M.

    1980-05-01

    Collisions between complex nuclei are described variationally in terms of the GCM with the aim to provide an evidence that it is a manageable calculational procedure. The variational principle of Kohn and Kato is used to derive the expression for the K matrix. The space of scattering states is spanned entirely by antisymmetrized products of shell model wave functions describing separate clusters; the generator coordinate is the separation between the two shell model potentials. Scattering boundary conditions are enforced by solving an integral equation for the channel GC amplitude in each open channel separately. The main part of evaluation of collision parameters is performed by calculating double integrals of a form factor between channel GC amplitudes. A theorem about a property of the form factors is proved which allows reduction of the amount of work needed to calculate double integrals. The application of the method to the elastic 3 H to 4 He scattering has shown the feasibility of the calculation. It is shown how an analysis of calculated scattering parameters and corresponding scattering states in terms of quasibound states enables one to make a consistent comparison with experiment and to extract some knowledge of the reaction mechanism. Finally a comparative list of the calculational procedures of the GCM and RGM for reactions is made. (author)

  19. The effects of some parameters on the calculated 1H NMR relaxation times of cell water

    International Nuclear Information System (INIS)

    Koivula, A.; Suominen, K.; Kiviniitty, K.

    1976-01-01

    The effect of some parameters on the longitudinal and transverse relaxation times is calculated and a comparison between the calculated relaxation times with the results of different measurements is made. (M.S.)

  20. Shock parameter calculations at weak interplanetary shock waves

    Directory of Open Access Journals (Sweden)

    J. M. Gloag

    2005-02-01

    Full Text Available A large set of interplanetary shock waves observed using the Ulysses spacecraft is analysed in order to determine their local parameters. For the first time a detailed analysis is extended to the thermodynamic properties of a large number of events. The intention is to relate the shock parameters to the requirements set by MHD shock theory. A uniform approach is adopted in the selection of up and downstream regions for this analysis and applied to all the shock waves. Initially, the general case of a 3 component adiabatic plasma is considered. However, the calculation of magnetosonic and Alfvénic Mach numbers and the ratio of downstream to upstream entropy produce some unexpected results. In some cases there is no clear increase in entropy across the shock and also the magnetosonic Mach number can be less than 1. It is found that a more discerning use of data along with an empirical value for the polytropic index can raise the distribution of downstream to upstream entropy ratios to a more acceptable level. However, it is also realised that many of these shocks are at the very weakest end of the spectrum and associated phenomena may also contribute to the explanation of these results.

  1. Calculation of shielding parameters

    International Nuclear Information System (INIS)

    Montoya Z, J.

    1994-01-01

    With the propose of reduce the hazard to radiation, exist three basic factors: a) time, the time to exposition to working person inside to area, from exist determined speed the doses, is proportional of the time permanence; b) distance, the reduce to doses is inverse square of the distance to exposition point; c) building, consist to interpose between source and exposition point to material. The main aspect development to the analysis of parameters distance and building. The analysis consist to development of the mathematical implicit, in the model of source radioactive, beginning with the geometry to source, distance to exposition source, and configuration building. In the final part was realize one comparative studied to calculus of parameters to blinding, employs two codes CPBGAM and MICROSHIELD, the first made as part to work thesis. The point source its a good approximation to any one real source, but in the majority of the time to propose analysis the spatial distribution of the source must realized in explicit way. The buildings calculus in volumetry's source can be approximate begin's of plan as source adaptations. It's important to have present that not only the building exist the exposition to the radiation, and the parameters time and distance plays an important paper too. (Author)

  2. Calculations on displacement damage and its related parameters for heavy ion bombardment in reactor materials

    International Nuclear Information System (INIS)

    Sone, Kazuho; Shiraishi, Kensuke

    1975-04-01

    The depth distribution of displacement damage expressed in displacements per atom (DPA) in reactor materials such as Mo, Nb, V, Fe and Ni bombarded by energetic nitrogen, argon and self ions with incident energy below 2 MeV was calculated following the theory developed by Lindhard and co-workers for the partition of energy as an energetic ion slowing down. In this calculation, energy loss due to electron excitation was taken into account for the atomic collision cascade after the primary knock-on process. Some parameters indispensable for the calculation such as energy loss rate, damage efficiency, projected range and its straggling were tabulated as a function of incident ion energy of 20 keV to 2 MeV. The damage and parameters were also calculated for 2 MeV nickel ions bombarding Fe targets. In this case, the DPA value is of 40--75% overestimated in a calculation disregarding electronic energy loss for primary knock-on atoms. The formula proposed in this report is significant for calculations on displacement damage produced by heavy ion bombardment as a simulation of high fluence fast neutron damage. (auth.)

  3. Calculations on displacement damage and its related parameters for heavy ion bombardment in reactor materials

    Energy Technology Data Exchange (ETDEWEB)

    Sone, K; Shiraishi, K

    1975-04-01

    The depth distribution of displacement damage expressed in displacements per atom (DPA) in reactor materials such as Mo, Nb, V, Fe and Ni bombarded by energetic nitrogen, argon and self ions with incident energy below 2 MeV was calculated following the theory developed by Lindhard and co-workers for the partition of energy as an energetic ion slowing down. In this calculation, energy loss due to electron excitation was taken into account for the atomic collision cascade after the primary knock-on process. Some parameters indispensable for the calculation such as energy loss rate, damage efficiency, projected range and its straggling were tabulated as a function of incident ion energy of 20 keV to 2 MeV. The damage and parameters were also calculated for 2 MeV nickel ions bombarding Fe targets. In this case, the DPA value is of 40--75% overestimated in a calculation disregarding electronic energy loss for primary knock-on atoms. The formula proposed in this report is significant for calculations on displacement damage produced by heavy ion bombardment as a simulation of high fluence fast neutron damage.

  4. Influence of Different Hip Joint Centre Locations on Hip and Knee Joint Kinetics and Kinematics During the Squat

    Directory of Open Access Journals (Sweden)

    Sinclair Jonathan

    2014-12-01

    Full Text Available Identification of the hip joint centre (HJC is important in the biomechanical examination of human movement. However, there is yet to be any published information regarding the influence of different HJC locations on hip and knee joint kinetics during functional tasks. This study aimed to examine the influence of four different HJC techniques on 3- D hip and knee joint kinetics/kinematics during the squat. Hip and knee joint kinetics/kinematics of the squat were obtained from fifteen male participants using an eight camera motion capture system. The 3-D kinetics/kinematics of the squat were quantified using four hip joint centre estimation techniques. Repeated measures ANOVAs were used to compare the discrete parameters as a function of each HJC location. The results show that significant differences in joint angles and moment parameters were evident at both the hip and knee joint in the coronal and transverse planes. These observations indicate that when calculating non-sagittal joint kinetics/kinematics during the squat, researchers should carefully consider their HJC method as it may significantly affect the interpretation of their data.

  5. Pyrite oxidation in the presence of hematite and alumina: I. Batch leaching experiments and kinetic modeling calculations.

    Science.gov (United States)

    Tabelin, Carlito Baltazar; Veerawattananun, Suchol; Ito, Mayumi; Hiroyoshi, Naoki; Igarashi, Toshifumi

    2017-02-15

    Pyrite is one of the most common and geochemically important sulfide minerals in nature because of its role in the redox recycling of iron (Fe). It is also the primary cause of acid mine drainage (AMD) that is considered as a serious and widespread problem facing the mining and mineral processing industries. In the environment, pyrite oxidation occurs in the presence of ubiquitous metal oxides, but the roles that they play in this process remain largely unknown. This study evaluates the effects of hematite (α-Fe 2 O 3 ) and alumina (α-Al 2 O 3 ) on pyrite oxidation by batch-reactor type experiments, surface-sensitive characterization of the oxidation layer and thermodynamic/kinetic modeling calculations. In the presence of hematite, dissolved sulfur (S) concentration dramatically decreased independent of the pH, and the formation of intermediate sulfoxy anionic species on the surface of pyrite was retarded. These results indicate that hematite minimized the overall extent of pyrite oxidation, but the kinetic model could not explain how this suppression occurred. In contrast, pyrite oxidation was enhanced in the alumina suspension as suggested by the higher dissolved S concentration and stronger infrared (IR) absorption bands of surface-bound oxidation products. Based on the kinetic model, alumina enhanced the oxidative dissolution of pyrite because of its strong acid buffering capacity, which increased the suspension pH. The higher pH values increased the oxidation of Fe 2+ to Fe 3+ by dissolved O 2 (DO) that enhanced the overall oxidative dissolution kinetics of pyrite. Copyright © 2016 Elsevier B.V. All rights reserved.

  6. Beta to alpha transformation kinetics and microstructure of Ti-6Al-4V alloy during continuous cooling

    Energy Technology Data Exchange (ETDEWEB)

    Kherrouba, Nabil [LGSDS – ENP, Avenue Hassan Badi, 16200, El Harrach (Algeria); Research Center in Industrial Technologies CRTI, P.O. Box 64, Cheraga, 16014 (Algeria); Univ. Bretagne Sud, FRE CNRS 3744, IRDL, Rue de Saint-Maudé, F-56100, Lorient (France); Bouabdallah, Mabrouk [LGSDS – ENP, Avenue Hassan Badi, 16200, El Harrach (Algeria); Badji, Riad, E-mail: riadbadji@gmail.com [Research Center in Industrial Technologies CRTI, P.O. Box 64, Cheraga, 16014 (Algeria); Carron, Denis [Univ. Bretagne Sud, FRE CNRS 3744, IRDL, Rue de Saint-Maudé, F-56100, Lorient (France); Amir, Mounir [Research Center in Industrial Technologies CRTI, P.O. Box 64, Cheraga, 16014 (Algeria)

    2016-09-15

    In the present paper, an approach based on the Kolmogorov-Johnson-Mehl-Avrami (KJMA) model has been developed and applied to study the transformation kinetics of the β phase in Ti-6Al-4V titanium alloy during cooling. To this purpose, Differential Scanning Calorimetry (DSC) tests have been conducted using a set of cooling rates ranging from 10 to 50 °C/min. This approach allows the kinetics parameters, particularly the activation energy, to be calculated from a single DSC test using a simple linear regression. The microstructural analysis indicates that the microstructure is dominated by the α Widmanstätten morphology (α{sub W}). Microstructural observations along with the calculated values of the Avrami index and of the activation energy suggest that the growth of the α{sub W} platelets obeys a mixed mode combining the vanadium diffusion and a displacive mechanism. - Highlights: • The kinetics of the β → α phase transformation is investigated. • An approach is proposed to adapt the KJMA model for continuous cooling. • The model permits the determination of the kinetics parameters for each cooling rate. • The growth of α{sub W} plates may obey a combined displacive-diffusional growth mode. • The growth involves shear mechanism and partitioning of vanadium between α{sub W} plates.

  7. A New Theory for Calculation of Some Biochemical Parameters Concentration in Human Serum

    International Nuclear Information System (INIS)

    Moustafa, K.A.; Amien, A.I.

    2009-01-01

    The serum volumes of the blood samples are varied from one patient to another according to the packed cell volume (PCV %), so if the patient sample has low PCV %, it will have high serum volume and vice versa. To calculate a certain clinical parameter such as glucose in the serum of patients using the conventional calculation, it will give the concentration in units per deci liter serum, while by calculating the concentration according to the ratio of serum volume to the total volume of the blood, it will give different results. Thus, the present study aimed to find a new theory used for calculation of some biochemical parameters concentration taking into consideration the ratio of plasma volume to the total blood volume. The present study was conducted on 122 subjects. These subjects were categorized into 4 groups. Group 1 (G1) comprised 40 healthy subjects as control group, group 2 (G2) comprised 30 low PCV % patients, group 3 (G3) comprised 30 subjects with relatively high PCV % and group 4 comprised 22 diabetic patients. Each group of the previous groups was further subdivided into group a (G a ) and group b (G b ). In the later group, the results were multiplied by the correction factor (V p /V b ), which is the ratio of plasma volume (V p ) to the blood volume (V b ) TSH hormone, glucose, cholesterol, triglycerides, urea, creatinine, uric acid, alanine aminotransferase (ALT), aspartate transaminase (AST) and alkaline phosphatase (ALP) were estimated and the results were multiplied by the correction factor (V p /V b ) to get the results after correction. Compared the results before and after correction, there was a very highly significant (ρ p /V b ), thus we recommended that biochemical parameters results must be calculated as indicated in the present study to obtain actual results which might be useful in the correct diagnosis, monitoring and follow up of the different diseases

  8. Kinetics and mechanism of furfural oxidation by ions of heterovalent metals

    Energy Technology Data Exchange (ETDEWEB)

    Krupenskij, V.I. (Ukhtinskij Industrial' nyj Inst. (USSR))

    1983-01-01

    Real constants of rate of furfural oxidation by Cu/sup 2 +/, Fe/sup 3 +/, Ce/sup 4 +/, Ag/sup +/, Hg/sup 2 +//sub 2/ ions are determined, other kinetic and activation parameters of reactions are calculated, constants of stability and other thermodynamic characteristics of furfural complex with cations-oxidizers are found. Schemes of furfural transformations at one- and two-electron oxidation by ions of variable-valency metals are suggested.

  9. Effect of physical, chemical and electro-kinetic properties of pumice samples on radiation shielding properties of pumice material

    International Nuclear Information System (INIS)

    Tapan, Mücip; Yalçın, Zeynel; İçelli, Orhan; Kara, Hüsnü; Orak, Salim; Özvan, Ali; Depci, Tolga

    2014-01-01

    Highlights: • Radiation shielding properties of pumice materials are studied. • The relationship between physical, chemical and electro-kinetic properties pumice samples is identified. • The photon atomic parameters are important for the absorber peculiarity of the pumices. - Abstract: Pumice has been used in cement, concrete, brick, and ceramic industries as an additive and aggregate material. In this study, some gamma-ray photon absorption parameters such as the total mass attenuation coefficients, effective atomic number and electronic density have been investigated for six different pumice samples. Numerous values of energy related parameters from low energy (1 keV) to high energy (100 MeV) were calculated using WinXCom programme. The relationship between radiation shielding properties of the pumice samples and their physical, chemical and electro-kinetic properties was evaluated using simple regression analysis. Simple regression analysis indicated a strong correlation between photon energy absorption parameters and density and SiO 2 , Fe 2 O 3 , CaO, MgO, TiO 2 content of pumice samples in this study. It is found that photon energy absorption parameters are not related to electro-kinetic properties of pumice samples

  10. Kinetic parameters of a material test research reactor fueled with various low enriched uranium dispersion fuels

    International Nuclear Information System (INIS)

    Muhammad, Farhan; Majid, Asad

    2009-01-01

    The effects of using different low enriched uranium fuels, having same uranium density, on the kinetic parameters of a material test research reactor were studied. For this purpose, the original aluminide fuel (UAl x -Al) containing 4.40 gU/cm 3 of an MTR was replaced with silicide (U 3 Si-Al and U 3 Si 2 -Al) and oxide (U 3 O 8 -Al) dispersion fuels having the same uranium density as of the original fuel. Simulations were carried out to calculate prompt neutron generation time, effective delayed-neutron fraction, core excess reactivity and neutron flux spectrum. Nuclear reactor analysis codes including WIMS-D4 and CITATION were used to carry out these calculations. It was observed that both the silicide fuels had the same prompt neutron generation time 0.02% more than that of the original aluminide fuel, while the oxide fuel had a prompt neutron generation time 0.05% less than that of the original aluminide fuel. The effective delayed-neutron fraction decreased for all the fuels; the decrease was maximum at 0.06% for U 3 Si 2 -Al followed by 0.03% for U 3 Si-Al, and 0.01% for U 3 O 8 -Al fuel. The U 3 O 8 -Al fueled reactor gave the maximum ρ excess at BOL which was 21.67% more than the original fuel followed by U 3 Si-Al which was 2.55% more, while that of U 3 Si 2 -Al was 2.50% more than the original UAl x -Al fuel. The neutron flux of all the fuels was more thermalized, than in the original fuel, in the active fuel region of the core. The thermalization was maximum for U 3 O 8 -Al followed by U 3 Si-Al and then U 3 Si 2 -Al fuel.

  11. Parameter-free effective field theory calculation for the solar proton-fusion and hep processes

    International Nuclear Information System (INIS)

    T.S. Park; L.E. Marcucci; R. Schiavilla; M. Viviani; A. Kievsky; S. Rosati; K. Kubodera; D.P. Min; M. Rho

    2002-01-01

    Spurred by the recent complete determination of the weak currents in two-nucleon systems up to Ο(Q 3 ) in heavy-baryon chiral perturbation theory, we carry out a parameter-free calculation of the threshold S-factors for the solar pp (proton-fusion) and hep processes in an effective field theory that combines the merits of the standard nuclear physics method and systematic chiral expansion. The power of the EFT adopted here is that one can correlate in a unified formalism the weak-current matrix elements of two-, three- and four-nucleon systems. Using the tritium β-decay rate as an input to fix the only unknown parameter in the theory, we can evaluate the threshold S factors with drastically improved precision; the results are S pp (0) = 3.94 x (1 ± 0.004) x 10 -25 MeV-b and S hep (0) = (8.6 ± 1.3) x 10 -20 keV-b. The dependence of the calculated S-factors on the momentum cutoff parameter Λ has been examined for a physically reasonable range of Λ. This dependence is found to be extremely small for the pp process, and to be within acceptable levels for the hep process, substantiating the consistency of our calculational scheme

  12. The calculation of some gamma shielding parameters for semiconductor CsPbBr3

    Science.gov (United States)

    Oto, Berna; Gulebaglan, Sinem Erden; Kanberoglu, Gulsah Saydan

    2017-02-01

    Recently, researchers produced perovskites structures used in optoelectronic devices as substrates, sensors. CsPbBr3 crystal is found in the cubic perovskite structure and its space group is Pm-3m. CsPbBr3 is a developing material for detection of X- and γ-ray radiations and the knowledge of the attenuation parameters of CsPbBr3 crystal is important. In this study, some photon shielding parameters such as mass attenuation coefficient (μρ), effective atomic number (Zeff) and electron density (Nel) have been investigated for CsPbBr3 compound. The theoretical values of μρ have been calculated in the energy range from 1 keV to 100 GeV using WinXCom computer code and these values have been used in order to calculate the values of Zeff and Nel in the same energy range.

  13. Numerical Calculation of Transport Based on the Drift Kinetic Equation for plasmas in General Toroidal Magnetic Geometry

    International Nuclear Information System (INIS)

    Reynolds, J. M.; Lopez-Bruna, D.

    2009-01-01

    This report is the first of a series dedicated to the numerical calculation of the evolution of fusion plasmas in general toroidal geometry, including TJ-II plasmas. A kinetic treatment has been chosen: the evolution equation of the distribution function of one or several plasma species is solved in guiding center coordinates. The distribution function is written as a Maxwellian one modulated by polynomial series in the kinetic coordinates with no other approximations than those of the guiding center itself and the computation capabilities. The code allows also for the inclusion of the three-dimensional electrostatic potential in a self-consistent manner, but the initial objective has been set to solving only the neoclassical transport. A high order conservative method (Spectral Difference Method) has been chosen in order to discretized the equation for its numerical solution. In this first report, in addition to justifying the work, the evolution equation and its approximations are described, as well as the baseline of the numerical procedures. (Author) 28 refs

  14. Parameters calculation of shielding experiment

    International Nuclear Information System (INIS)

    Gavazza, S.

    1986-02-01

    The radiation transport methodology comparing the calculated reactions and dose rates for neutrons and gama-rays, with experimental measurements obtained on iron shield, irradiated in the YAYOI reactor is evaluated. The ENDF/B-IV and VITAMIN-C libraries and the AMPX-II modular system, for cross sections generation collapsed by the ANISN code were used. The transport calculations were made using the DOT 3.5 code, adjusting the boundary iron shield source spectrum to the reactions and dose rates, measured at the beginning of shield. The neutron and gamma ray distributions calculated on the iron shield presented reasonable agreement with experimental measurements. An experimental arrangement using the IEA-R1 reactor to determine a shielding benchmark is proposed. (Author) [pt

  15. Test calculations of physical parameters of the TRX,BETTIS and MIT critical assemblies according to the TRIFON program

    International Nuclear Information System (INIS)

    Kochurov, B.P.

    1980-01-01

    Results of calculations of physical parameters characterizing the TRX, MIT and BETTIS critical assemblies obtained according to the program TRIFON are presented. The program TRIFON permits to calculate the space-energy neutron distribution in the multigroup approximation in a multizone cylindrical cell. Results of comparison of the TRX, BETTIS and MIT crytical assembly parameters with experimental data and calculational results according to the Monte Carlo method are presented as well. Deviations of the parameters are in the range of 1.5-2 of experimental errors. Data on the interference of uranium 238 levels in the resonant neutron absorption in the cell are given [ru

  16. The Numerical Calculation and Experimental Measurement of the Inductance Parameters for Permanent Magnet Synchronous Motor in Electric Vehicle

    Science.gov (United States)

    Jiang, Chao; Qiao, Mingzhong; Zhu, Peng

    2017-12-01

    A permanent magnet synchronous motor with radial magnetic circuit and built-in permanent magnet is designed for the electric vehicle. Finite element numerical calculation and experimental measurement are adopted to obtain the direct axis and quadrature axis inductance parameters of the motor which are vital important for the motor control. The calculation method is simple, the measuring principle is clear, the results of numerical calculation and experimental measurement are mutual confirmation. A quick and effective method is provided to obtain the direct axis and quadrature axis inductance parameters of the motor, and then improve the design of motor or adjust the control parameters of the motor controller.

  17. Numerical Calculation of Transport Based on the Drift-Kinetic Equation for Plasmas in General Toroidal Magnetic Geometry: Convergence and Testing

    International Nuclear Information System (INIS)

    Reynolds, J. M.; Lopez-Bruna, D.

    2009-01-01

    This report is the third of a series [Informes Tecnicos Ciemat 1165 y 1172] devoted to the development of a new numerical code to solve the guiding center equation for electrons and ions in toroidal plasmas. Two calculation meshes corresponding to axisymmetric tokamaks are now prepared and the kinetic equation is expanded so the standard terms of neoclassical theory --fi rst order terms in the Larmor radius expansion-- can be identified, restricting the calculations correspondingly. Using model density and temperature profiles for the plasma, several convergence test are performed depending on the calculation meshes and the expansions of the distribution function; then the results are compared with the theory [Hinton and Hazeltine, Rev. Mod. Phys. (1976)]. (Author) 18 refs

  18. Thermodynamically consistent model calibration in chemical kinetics

    Directory of Open Access Journals (Sweden)

    Goutsias John

    2011-05-01

    Full Text Available Abstract Background The dynamics of biochemical reaction systems are constrained by the fundamental laws of thermodynamics, which impose well-defined relationships among the reaction rate constants characterizing these systems. Constructing biochemical reaction systems from experimental observations often leads to parameter values that do not satisfy the necessary thermodynamic constraints. This can result in models that are not physically realizable and may lead to inaccurate, or even erroneous, descriptions of cellular function. Results We introduce a thermodynamically consistent model calibration (TCMC method that can be effectively used to provide thermodynamically feasible values for the parameters of an open biochemical reaction system. The proposed method formulates the model calibration problem as a constrained optimization problem that takes thermodynamic constraints (and, if desired, additional non-thermodynamic constraints into account. By calculating thermodynamically feasible values for the kinetic parameters of a well-known model of the EGF/ERK signaling cascade, we demonstrate the qualitative and quantitative significance of imposing thermodynamic constraints on these parameters and the effectiveness of our method for accomplishing this important task. MATLAB software, using the Systems Biology Toolbox 2.1, can be accessed from http://www.cis.jhu.edu/~goutsias/CSS lab/software.html. An SBML file containing the thermodynamically feasible EGF/ERK signaling cascade model can be found in the BioModels database. Conclusions TCMC is a simple and flexible method for obtaining physically plausible values for the kinetic parameters of open biochemical reaction systems. It can be effectively used to recalculate a thermodynamically consistent set of parameter values for existing thermodynamically infeasible biochemical reaction models of cellular function as well as to estimate thermodynamically feasible values for the parameters of new

  19. Comparative evaluation of thermal oxidative decomposition for oil-plant residues via thermogravimetric analysis: Thermal conversion characteristics, kinetics, and thermodynamics.

    Science.gov (United States)

    Chen, Jianbiao; Wang, Yanhong; Lang, Xuemei; Ren, Xiu'e; Fan, Shuanshi

    2017-11-01

    Thermal oxidative decomposition characteristics, kinetics, and thermodynamics of rape straw (RS), rapeseed meal (RM), camellia seed shell (CS), and camellia seed meal (CM) were evaluated via thermogravimetric analysis (TGA). TG-DTG-DSC curves demonstrated that the combustion of oil-plant residues proceeded in three stages, including dehydration, release and combustion of organic volatiles, and chars oxidation. As revealed by combustion characteristic parameters, the ignition, burnout, and comprehensive combustion performance of residues were quite distinct from each other, and were improved by increasing heating rate. The kinetic parameters were determined by Coats-Redfern approach. The results showed that the most possible combustion mechanisms were order reaction models. The existence of kinetic compensation effect was clearly observed. The thermodynamic parameters (ΔH, ΔG, ΔS) at peak temperatures were calculated through the activated complex theory. With the combustion proceeding, the variation trends of ΔH, ΔG, and ΔS for RS (RM) similar to those for CS (CM). Copyright © 2017 Elsevier Ltd. All rights reserved.

  20. Determination of kinetic parameters in Tl dosemeters of LiF: Mg, Cu, P + PTFE developed in the ININ

    International Nuclear Information System (INIS)

    Basurto G, B.S.

    2002-01-01

    The objective of this work, is the one of determining the kinetic parameters of the dosemeter of LiF: Mg, Cu, P + Ptfe; starting from the curves Tl obtained at being irradiated with alpha radiation (α), beta (β) and gamma (γ). As like to compare its sensitivity with each radiation type, considering the sensitivity of the TLD-100 as the unit. In the Chapter 1, the fundamental structure of the matter is described, making emphasis in the different radiation types, and their interaction with this. In the Chapter 2, the units are described but used in the dosimetry of the radiation. In the Chapter 3, the basic concepts of the phenomenon of Tl are described and those are explained characteristic of the deconvolution method to determine the kinetics of the one phenomenon. In the Chapter 4, the methodology is detailed that was used in the elaboration of this thesis work, describing the material Tl that were considered like reference, as well as the sources of ionizing radiation, with those that the dosemeters were irradiated and the equipment in the one that the curves Tl was obtained. Reference is made to the software used to carry out the deconvolution of the curves Tl that were obtained in the one experimental development. In the Chapter 5, the obtained results of this study are presented, showing the tables of homogenization of dosemeters and the reading of the same one; they are observed the curves Tl obtained to different radiation doses (alpha, beta and gamma), the intensity Tl in function of the dose. Also they are tabulated, the obtained results in the kinetic parameters of the three different study materials (TLD-100H, USA; TLD-100, USA and LiF: Mg, Cu, P + Ptfe developed in the l.N.l.N). They are analyzed shortly for each material Tl their sensitivity to the ionizing radiation as well as their kinetic parameters. The obtained results showed that the Tl dosemeters of LiF: Mg,Cu,P + Ptfe, they presented a bigger sensitivity that the TLD-100 when being

  1. Conformational kinetics of aliphatic tails

    Science.gov (United States)

    Ferrarini, Alberta; Moro, Giorgio; Nordio, Pier Luigi

    The master equation describing the random walk between sites identified with the stable conformers of a chain molecule, represents the extension to the time domain of the Rotational Isomeric State model. The asymptotic analysis of the multidimensional diffusion equation in the continuous torsional variables subjected to the configurational potential, provides a rigorous justification for the discrete models, and it supplies, without resorting to phenomenological parameters, molecular definitions of the kinetic rates for the conformational transitions occurring at each segment of the chain. The coupling between the torsional variables is fully taken into account, giving rise to cooperative effects. A complete calculation of the specific correlation functions which describe the time evolution of the angular functions probed by N.M.R. and dielectric relaxation measurements, has been performed for alkyl chains attached to a massive core. The resulting behaviour has been compared with the decay of trans and gauche populations of specific bonds, expressed in terms of suitable correlation functions whose time integrals lead quite naturally to the definition of effective kinetic constants for the conformational transitions.

  2. Fission fragment mass and total kinetic energy distributions of spontaneously fissioning plutonium isotopes

    Science.gov (United States)

    Pomorski, K.; Nerlo-Pomorska, B.; Bartel, J.; Schmitt, C.

    2018-03-01

    The fission-fragment mass and total kinetic energy (TKE) distributions are evaluated in a quantum mechanical framework using elongation, mass asymmetry, neck degree of freedom as the relevant collective parameters in the Fourier shape parametrization recently developed by us. The potential energy surfaces (PES) are calculated within the macroscopic-microscopic model based on the Lublin-Strasbourg Drop (LSD), the Yukawa-folded (YF) single-particle potential and a monopole pairing force. The PES are presented and analysed in detail for even-even Plutonium isotopes with A = 236-246. They reveal deep asymmetric valleys. The fission-fragment mass and TKE distributions are obtained from the ground state of a collective Hamiltonian computed within the Born-Oppenheimer approximation, in the WKB approach by introducing a neck-dependent fission probability. The calculated mass and total kinetic energy distributions are found in good agreement with the data.

  3. Kinetic studies of elementary chemical reactions

    Energy Technology Data Exchange (ETDEWEB)

    Durant, J.L. Jr. [Sandia National Laboratories, Livermore, CA (United States)

    1993-12-01

    This program concerning kinetic studies of elementary chemical reactions is presently focussed on understanding reactions of NH{sub x} species. To reach this goal, the author is pursuing experimental studies of reaction rate coefficients and product branching fractions as well as using electronic structure calculations to calculate transition state properties and reaction rate calculations to relate these properties to predicted kinetic behavior. The synergy existing between the experimental and theoretical studies allow one to gain a deeper insight into more complex elementary reactions.

  4. Kinetic study by FTIR and DSC on the cationic curing of a DGEBA/{gamma}-valerolactone mixture with ytterbium triflate as an initiator

    Energy Technology Data Exchange (ETDEWEB)

    Arasa, M. [Departament de Quimica Analitica i Quimica Organica, Universitat Rovira i Virgili. C/Marcel.li Domingo s/n, 43007 Tarragona (Spain); Ramis, X. [Laboratori de Termodinamica, ETSEIB. Universitat Politecnica de Catalunya, Av. Diagonal 647, 08028 Barcelona (Spain)], E-mail: ramis@mmt.upc.edu; Salla, J.M. [Laboratori de Termodinamica, ETSEIB. Universitat Politecnica de Catalunya, Av. Diagonal 647, 08028 Barcelona (Spain); Mantecon, A.; Serra, A. [Departament de Quimica Analitica i Quimica Organica, Universitat Rovira i Virgili. C/Marcel.li Domingo s/n, 43007 Tarragona (Spain)

    2008-12-05

    A mixture of diglycidylether of bisphenol A (DGEBA) and {gamma}-valerolactone ({gamma}-VL) was cured in the presence of ytterbium triflate as an initiator to obtain poly(esther-ether) thermosets. The kinetics of the various elemental reactions, which take place during the curing process, was studied by means of isothermal curing in the FTIR spectrometer. The kinetic parameters were calculated by means of the isoconversional procedure and the best-fit kinetic model was determined with the so-called compensation effect (isokinetic relationship). The isothermal kinetic analysis was compared with that obtained by dynamic curing in DSC.

  5. Kinetic study by FTIR and DSC on the cationic curing of a DGEBA/γ-valerolactone mixture with ytterbium triflate as an initiator

    International Nuclear Information System (INIS)

    Arasa, M.; Ramis, X.; Salla, J.M.; Mantecon, A.; Serra, A.

    2008-01-01

    A mixture of diglycidylether of bisphenol A (DGEBA) and γ-valerolactone (γ-VL) was cured in the presence of ytterbium triflate as an initiator to obtain poly(esther-ether) thermosets. The kinetics of the various elemental reactions, which take place during the curing process, was studied by means of isothermal curing in the FTIR spectrometer. The kinetic parameters were calculated by means of the isoconversional procedure and the best-fit kinetic model was determined with the so-called compensation effect (isokinetic relationship). The isothermal kinetic analysis was compared with that obtained by dynamic curing in DSC

  6. Gaussian optics calculations of the parameters of a magnetic sector energy analyzer

    International Nuclear Information System (INIS)

    Zaluzec, N.J.

    1978-01-01

    The design of a magnetic deflection system for use as an electron energy loss spectrometer can be a complex process if one takes the most general approach. However, for application to materials research the design process can be reduced to three basic steps. First, the qualitative features of the overall system are defined--i.e., incident electron energy, required resolution, type of magnet, the desired focal properties, etc. Secondly, the design parameters necessary to meet these requirements are calculated using the appropriate equations. Finally, once the magnetic field has been specified, ray-tracing techniques can be employed to verify the system response to the conditions defined in the first two steps. The calculation of the parameters of a uniform field magnetic sector analyzer capable of energy resolutions of 20 ppM or better are considered. Higher resolution is attainable; however, for most materials work, more important considerations are the attainment of double focusing to improve S/N, the minimization of aberrations and the achievement of a flat image plane to facilitate parallel data recording

  7. Kinetics of adsorption of dyes from aqueous solution using activated carbon prepared from waste apricot

    International Nuclear Information System (INIS)

    Onal, Yunus

    2006-01-01

    Adsorbent (WA11Zn5) has been prepared from waste apricot by chemical activation with ZnCl 2 . Pore properties of the activated carbon such as BET surface area, pore volume, pore size distribution, and pore diameter were characterized by N 2 adsorption and DFT plus software. Adsorption of three dyes, namely, Methylene Blue (MB), Malachite Green (MG), Crystal Violet (CV), onto activated carbon in aqueous solution was studied in a batch system with respect to contact time, temperature. The kinetics of adsorption of MB, MG and CV have been discussed using six kinetic models, i.e., the pseudo-first-order model, the pseudo-second-order model, the Elovich equation, the intraparticle diffusion model, the Bangham equation, the modified Freundlich equation. Kinetic parameters and correlation coefficients were determined. It was shown that the second-order kinetic equation could describe the adsorption kinetics for three dyes. The dyes uptake process was found to be controlled by external mass transfer at earlier stages (before 5 min) and by intraparticle diffusion at later stages (after 5 min). Thermodynamic parameters, such as ΔG, ΔH and ΔS, have been calculated by using the thermodynamic equilibrium coefficient obtained at different temperatures and concentrations. The thermodynamics of dyes-WA11Zn5 system indicates endothermic process

  8. Displacement cascades and defect annealing in tungsten, Part III: The sensitivity of cascade annealing in tungsten to the values of kinetic parameters

    Energy Technology Data Exchange (ETDEWEB)

    Nandipati, Giridhar, E-mail: giridhar.nandipati@pnnl.gov [Pacific Northwest National Laboratory, Richland, WA (United States); Setyawan, Wahyu; Heinisch, Howard L. [Pacific Northwest National Laboratory, Richland, WA (United States); Roche, Kenneth J. [Pacific Northwest National Laboratory, Richland, WA (United States); Department of Physics, University of Washington, Seattle, WA 98195 (United States); Kurtz, Richard J. [Pacific Northwest National Laboratory, Richland, WA (United States); Wirth, Brian D. [University of Tennessee, Knoxville, TN (United States)

    2015-07-15

    A study has been performed using object kinetic Monte Carlo (OKMC) simulations to investigate various aspects of cascade aging in bulk tungsten (W) and to determine its sensitivity to the kinetic parameters. The primary focus is on how the kinetic parameters affect the intracascade recombination of defects. Results indicate that, due to the disparate mobilities of SIA and vacancy clusters, annealing is dominated by SIA migration even at 2050 K. It was found that for 100 keV cascades initiated at 300 K, recombination is dominated by the annihilation of large defect clusters, while for all the other primary knock-on atom (PKA) energies and temperatures, recombination is primarily due to the migration and rotation of small SIA clusters, while the large SIA clusters escape the simulation cell. The annealing efficiency exhibits an inverse U-shaped curve behavior with increasing temperature, especially at large PKA energies, caused by the asymmetry in SIA and vacancy clustering assisted by the large differences in their mobilities. This behavior is unaffected by the dimensionality of SIA migration, and it persists over a broad range of relative mobilities of SIAs and vacancies.

  9. Repulsive energy and the Grueneisen parameter of alkali halides calculated on the basis of a quantum-statistical ab initio theory

    International Nuclear Information System (INIS)

    Kucharczyk, M.; Olszewski, S.

    1982-01-01

    The Grueneisen parameter of alkali halides is calculated by an ab initio quantum-statistical method and then compared with the experimental data. The crystal model applied assumes the crystal ions to be compressible but impenetrable spheres. The ions are described with the aid of a modified Thomas-Fermi theory with exchange. At the next step it is possible to calculate the energy needed to transform the system of the non-interacting ions into the ionic system represented by the crystal lattice. This calculation allows for an ab initio estimate of the parameters entering the Born, or the Born-Mayer, repulsive part of the crystal energy. The parameters are then used in the calculation of the Grueneisen parameter and its dependence on the crystal compression. (author)

  10. Amyloid protein unfolding and insertion kinetics on neuronal membrane mimics

    Science.gov (United States)

    Qiu, Liming; Buie, Creighton; Vaughn, Mark; Cheng, Kwan

    2010-03-01

    Atomistic details of beta-amyloid (Aβ ) protein unfolding and lipid interaction kinetics mediated by the neuronal membrane surface are important for developing new therapeutic strategies to prevent and cure Alzheimer's disease. Using all-atom MD simulations, we explored the early unfolding and insertion kinetics of 40 and 42 residue long Aβ in binary lipid mixtures with and without cholesterol that mimic the cholesterol-depleted and cholesterol-enriched lipid nanodomains of neurons. The protein conformational transition kinetics was evaluated from the secondary structure profile versus simulation time plot. The extent of membrane disruption was examined by the calculated order parameters of lipid acyl chains and cholesterol fused rings as well as the density profiles of water and lipid headgroups at defined regions across the lipid bilayer from our simulations. Our results revealed that both the cholesterol content and the length of the protein affect the protein-insertion and membrane stability in our model lipid bilayer systems.

  11. Quantum Monte Carlo calculation of the Fermi-liquid parameters in the two-dimensional electron gas

    International Nuclear Information System (INIS)

    Kwon, Y.; Ceperley, D.M.; Martin, R.M.

    1994-01-01

    Excitations of the two-dimensional electron gas, including many-body effects, are calculated with a variational Monte Carlo method. Correlated sampling is introduced to calculate small energy differences between different excitations. The usual pair-product (Slater-Jastrow) trial wave function is found to lack certain correlations entirely so that backflow correlation is crucial. From the excitation energies calculated here, we determine Fermi-liquid parameters and related physical quantities such as the effective mass and the Lande g factor of the system. Our results for the effective mass are compared with previous analytic calculations

  12. Survey of shielding calculation parameters in radiotherapy rooms used in the country and its impact in the existing calculation methodologies

    International Nuclear Information System (INIS)

    Japiassu, Fernando Parois

    2013-01-01

    When designing radiotherapy treatment rooms, the dimensions of barriers are established on the basis of American calculation methodologies specifically; NCRP Report N° 49, NCRP Report N° 51, and more recently, NCRP Report N° 151. Such barrier calculations are based on parameters reflecting predictions of treatments to be performed within the room; which, in tum, reftect a specific reality found in a country. There exists, however, a variety of modern radiotherapy techniques, such as Intensity Modulated Radiation Therapy (IMRT); Total Body Irradiation (TBl) and radiosurgery (SRS); where patierits are treated in a much different way than during more conventional treatrnents, which are not taken into account the traditional shielding calculation methodology. This may lead to a faulty design of treattnent rooms. In order to establish a comparison between the methodology used to calculate shielding design and the reality of treatments performed in Brazil, two radiotherapy facilitie were selected, both of them offering traditional and modern treatment techniqued as described above. Data in relation with reatments perfotmed over a period of six (6)months of operations in both institutions were collected. Based on tlis informaton, a new set of realistic parameters required for shielding design was estãblished, whicb in turn allowed for a nwe caculation of barrier thickness for both facilities. The barrier thickness resultaing from this calculation was then compared with the barrier thickness propose as part of the original shielding design, approved by the regulatory authority. First, concerning the public facility, the thickness of all primary barriers proposed in the shielding design was actually larger than the thickness resulting from calculations based on realistic parameters. Second, concerning the private facility, the new data show that the thickness of three out of the four primary barriers described in the project is larger than the thickness oresulting from

  13. Calculation of kinetic parameters of amino-formaldehyde polymers formation in the presence of calcium ions

    Directory of Open Access Journals (Sweden)

    V.V. Arhipova

    2016-05-01

    Full Text Available Calcium carbonate is on of widely used fillers of composite materials. The area of its application depend on disperse structure, particle shape and other. The modification of calcium carbonate by high-molecular polymers allows changing its characteristics and surface properties in a wide range. The modification of calcium carbonate often carried out with use of amino-formaldehyde polymers (AFP. Aim: The aim of this work is to determine the kinetic characteristics of amino-formaldehyde polymers polycondensation process in the presence of calcium ions. Materials and Methods: The mechanism of AFP polycondensation is complex and depends on various factors. Polycondensation of AFP took place under following conditions: the temperature is 20, 30, 60°C; the molar ratio of carbamide to formaldehyde is 1:1.25; the polycondensation duration is 2 hours; the mass ratio of CaCO3:AFP = 1:1. The polycondensation process was carried out in calcium chloride solution with рН=2…5.5. The concentration of formaldehyde and metilol groups determined during the experiment using chemical titrimetric method. Results: It is shown that polycondensation process of AFP in the presence of Сa2+ ions at their concentration from 0 to 2,25 mol/l (0…90 g/l leads to acceleration of process more than by 1.8 times at temperature of 20°C. Further increase of Сa2+ concentration leads to reduction of process speed. At temperature of 30°C the speed of process almost does not change in the range of Сa2+ concentration from 0 to 2,25 mol/l and further decreases slightly. For all range of Сa2+ concentration at temperature of 60°C the reduction of process speed is observed. Influence of Сa2+ on process of polycondensation confirms assumption made earlier of formation of weak bonds between AFP and calcium ions which at low temperatures interfere with hydrolysis of methyleneurea and collapse at increasing of process temperature.

  14. NERON-Computing system for PHWR reactor cells and heterogeneous parameter calculations

    International Nuclear Information System (INIS)

    Cristian, I.; Cirstoiu, B.; Slavnicu, S.D.

    1976-04-01

    A system of codes for PHWR type reactors is presented. The system includes the cell code NERO and a code PARETE for monopolar and dipolar heterogeneous calculations. A general theory of dipolar flux is necessary for a more accurate evaluation of void coefficient and diffusion moderator coefficient is given. The determination of monopolar and dipolar heterogeneous parameters is very useful for heterogeneous methods developped especially for HWR reactors during the last years. (author)

  15. Crystallization Kinetics within a Generic Modeling Framework

    DEFF Research Database (Denmark)

    Meisler, Kresten Troelstrup; von Solms, Nicolas; Gernaey, Krist V.

    2014-01-01

    of employing a well-structured model library for storage, use/reuse, and analysis of the kinetic models are highlighted. Examples illustrating the application of the modeling framework for kinetic model discrimination related to simulation of specific crystallization scenarios and for kinetic model parameter......A new and extended version of a generic modeling framework for analysis and design of crystallization operations is presented. The new features of this framework are described, with focus on development, implementation, identification, and analysis of crystallization kinetic models. Issues related...... to the modeling of various kinetic phenomena like nucleation, growth, agglomeration, and breakage are discussed in terms of model forms, model parameters, their availability and/or estimation, and their selection and application for specific crystallization operational scenarios under study. The advantages...

  16. A way for evaluating parameters of electron transport in non-polar molecular liquids derived from analysis of the trapped electron recombination kinetics

    International Nuclear Information System (INIS)

    Lukin, L.V.

    2012-01-01

    The geminate recombination kinetics of electron-ion pairs produced by high energy radiation in liquid hydrocarbons is considered in the two state model of electron transport. The purpose of the study is to relate the trapped electron transient optical absorption, observed in the pulse radiolysis experiments, to fundamental parameters of electron transport in liquid. It is shown that measurements of the half-life time and amplitude of the trapped electron decay curve allow one to find the electron life time in a localized state. - Highlights: ► A two state electron model is applied to geminate charge recombination. ► Time dependence of trapped electrons is computed for liquid isooctane and squalane. ► Electron decay kinetics depends on electron life time in a localized state. ► Key parameters of electron transport are found from the pulse radiolysis studies.

  17. Respiratory tract dose calculation considering physiological parameters from samples of Brazilian population

    International Nuclear Information System (INIS)

    Reis, A.; Lopes, R.; Lourenco, M.; Cardoso, J.

    2006-01-01

    The Human Respiratory Tract Model proposed by the ICRP Publication 66 accounts for the morphology and physiology of the respiratory tract. The ICRP 66 presents deposition fraction in the respiratory tract regions considering reference values from Caucasian man. However, in order to obtain a more accurate assessment of intake and dose the ICRP recommends the use of specific information when they are available. The application of parameters from Brazilian population in the deposition and in the clearance model shows significant variations in the deposition fractions and in the fraction of inhaled activity transferred to blood. The main objective of this study is to evaluate the influence in dose calculation to each region of the respiratory tract when physiological parameters from Brazilian population are applied in the model. The purpose of the dosimetric model is to evaluate dose to each tissues of respiratory tract that are potentially risk from inhaled radioactive materials. The committed equivalent dose, H.T., is calculated by the product of the total number of transformations of the radionuclide in tissue source S over a period of fifty years after incorporation and of the energy absorbed per unit mass in the target tissue T, for each radiation emitted per transformation in tissue source S. The dosimetric model of Human Respirator y Tract was implemented in the software Excel for Windows (version 2000) and H.T. was determined in two stages. First it was calculated the number of total transformations, US, considering the fractional deposition of activity in each source tissue and then it was calculated the total energy absorbed per unit mass S.E.E., in the target tissue. It was assumed that the radionuclide emits an alpha particle with average energy of 5.15 MeV. The variation in the fractional deposition in the compartments of the respiratory tract in changing the physiological parameters from Caucasian to Brazilian adult man causes variation in the number of

  18. DSC and curing kinetics study of epoxy grouting diluted with furfural -acetone slurry

    Science.gov (United States)

    Yin, H.; Sun, D. W.; Li, B.; Liu, Y. T.; Ran, Q. P.; Liu, J. P.

    2016-07-01

    The use of furfural-acetone slurry as active diluents of Bisphenol-A epoxy resin (DGEBA) groutings has been studied by dynamic and non-isothermal DSC for the first time. Curing kinetics study was investigated by non-isothermal differential scanning calorimetries at different heating rates. Activation enery (Ea) was calculated based on Kissinger and Ozawa Methods, and the results showed that Ea increased from 58.87 to 71.13KJ/mol after the diluents were added. The furfural-acetone epoxy matrix could cure completely at the theoretical curing temperature of 365.8K and the curing time of 139mins, which were determined by the kinetic model parameters.

  19. Kinetic modelling of hydrocracking catalytic reactions by the single events theory; Modelisation cinetique des reactions catalytiques d`hydrocraquage par la theorie des evenements constitutifs

    Energy Technology Data Exchange (ETDEWEB)

    Schweitzer, J.M.

    1998-11-23

    Kinetic modelling of petroleum hydrocracking is particularly difficult given the complexity of the feedstocks. There are two distinct classes of kinetics models: lumped empirical models and detailed molecular models. The productivity of lumped empirical models is generally not very accurate, and the number of kinetic parameters increases rapidly with the number of lumps. A promising new methodology is the use of kinetic modelling based on the single events theory. Due to the molecular approach, a finite and limited number of kinetic parameters can describe the kinetic behaviour of the hydrocracking of heavy feedstock. The parameters are independent of the feedstock. However, the available analytical methods are not able to identify the products on the molecular level. This can be accounted for by means of an posteriori lamping technique, which incorporates the detailed knowledge of the elementary step network. Thus, the lumped kinetic parameters are directly calculated from the fundamental kinetic coefficients and the single event model is reduced to a re-lumped molecular model. Until now, the ability of the method to extrapolate to higher carbon numbers had not been demonstrated. In addition, no study had been published for three phase (gas-liquid-solid) systems and a complex feedstock. The objective of this work is to validate the `single events` method using a paraffinic feedstock. First of all, a series of experiments was conducted on a model compound (hexadecane) in order to estimate the fundamental kinetic parameters for acyclic molecules. To validate the single event approach, these estimated kinetic coefficients were used to simulate hydrocracking of a paraffinic mixture ranging from C11 to C18. The simulation results were then compared to the results obtained from the hydrocracking experiments. The comparison allowed to validate the model for acyclic molecules and to demonstrate that the model is applicable to compounds with higher carbon numbers. (author

  20. The Structure and Molecular Parameters of Camphene Determined by Fourier Transform Microwave Spectroscopy and Quantum Chemical Calculations

    Science.gov (United States)

    Neeman, Elias M.; Dréan, Pascal; Huet, T. R.

    2016-06-01

    The emission of volatile organic compounds, from plants has strong revelance for plant physiology, plant ecology and atmospheric chemistry. Camphene (C10H16) is a bicyclic monoterpene which is emitted in the atmosphere by biogenic sources. The structure of the unique stable conformer was optimized using density functional theory and ab initio calculations. The rotational spectrum of camphene was recorded in a supersonic jet expansion with a Fourier transform microwave spectrometer over the range 2-20 GHz. Signals from the parent species and from the ten 13C isotopomers were observed in natural abundance. The rotational and centrifugal distortion parameters were fitted to a Watson's Hamiltonian in the A-reduction. A magnetic hyperfine structure associated with the pairs of hydrogen nuclei in the methylene groups was observed and modeled.The rotational constants coupled to the equilibrium structure calculations were used to determine the r_0 and the r_m(1) gas-phase geometries of the carbon skeleton. The present work provides the first spectroscopic characterization of camphene in the gas phase and these results are also relevant for ozonolysis kinetics study through Criegee intermediates. R. Baraldi, F. Rapparini, O. Facini, D. Spano and P. Duce, Journal of Mediterranean Ecology, Vol.6, No.1, (2005). A. Bracho-Nunez, N. M. Knothe, S. Welter, M. Staudt, W. R. Costa, M. A. R. Liberato, M. T. F. Piedade, and J. Kesselmeier Biogeosciences, 10, 5855-5873, (2013). Minna Kivimäenpää, Narantsetseg Magsarjav, Rajendra Ghimire, Juha-Matti Markkanen, Juha Heijari, Martti Vuorinen and Jarmo K. Holopainen, Atmospheric Environment, 60, 477-485, (2012). R.C. de M. Oliveira and G. F. Bauerfeldt, J. Phys. Chem. A, 119 2802-2812 (2015)

  1. Kinetic analysis of batch ethanol acetylation in isothermal non-stationary multiphase systems by lyophilized mycelium of Aspergillus oryzae

    Directory of Open Access Journals (Sweden)

    Emilio Palazzi

    2011-03-01

    Full Text Available A relatively complex network of reactions has been investigated, using as a network model the isothermal batch esterification of acetic acid with ethanol in n-heptane catalyzed by lyophilized mycelium of Aspergillus oryzae. The kinetic analysis was firstly carried out on the whole system, without any simplification, by means of the well-known integral method. Owing to the poor results obtained by this way, we developed an alternative approach, combining initial rates and integral analysis and reducing the number of empirical parameters to be determined by the use of equilibrium data. All the values of the parameters calculated according to this "composite" approach to kinetic analysis well correlate with experimental data.

  2. Determination of Kinetic Coefficients in Up-flow Anaerobic Sludge Blanket Using Sugarcane Industrial Wastewater

    Directory of Open Access Journals (Sweden)

    sana mousavian

    2015-05-01

    Full Text Available Extraction of sugar from sugarcane produces a high volume of effluent carrying large amounts of organics and BOD5. Discharging the effluent into rivers and into the environment endangers the aquatic life and increases the risks of environmental pollution. This study was conducted in 2012 to determine the kinetic coefficients of the anaerobic treatment systems (UASB at the wastewater treatment plant of Imam Khomeini Sugarcane Agro-industrial Plant in Shushtar. The parameters of BOD5, COD, and TSS were measured at the inlet and outlet of the WWTP. Subsequently, the operation and design parameters of the system were determined. Using the modified Monod Equations, the kinetic coefficients Ks, Y, Kd, μ max, and K max for employing the UASB process at the WWPT in question were calculated as 506.4mg/l, 0.11 g VSS/g COD, 0.0045 d-1, 0.0069 d-1, and 0.055 d-1, respectively. The kinetic coefficients obtained in this study can be used in the steering and operation as well as fundamental design of similar plants, especially in hot areas.

  3. WIPP shaft seal system parameters recommended to support compliance calculations

    International Nuclear Information System (INIS)

    Hurtado, L.D.; Knowles, M.K.; Kelley, V.A.; Jones, T.L.; Ogintz, J.B.; Pfeifle, T.W.

    1997-12-01

    The US Department of Energy plans to dispose of transuranic waste at the Waste Isolation Pilot Plant (WIPP), which is sited in southeastern New Mexico. The WIPP disposal facility is located approximately 2,150 feet (650 m) below surface in the bedded halite of the Salado Formation. Prior to initiation of disposal activities, the Department of Energy must demonstrate that the WIPP will comply with all regulatory requirements. Applicable regulations require that contaminant releases from the WIPP remain below specified levels for a period of 10,000 years. To demonstrate that the WIPP will comply with these regulations, the Department of Energy has requested that Sandia National Laboratories develop and implement a comprehensive performance assessment of the WIPP repository for the regulatory period. This document presents the conceptual model of the shaft sealing system to be implemented in performance assessment calculations conducted in support of the Compliance Certification Application for the WIPP. The model was developed for use in repository-scale calculations and includes the seal system geometry and materials to be used in grid development as well as all parameters needed to describe the seal materials. These calculations predict the hydrologic behavior of the system. Hence conceptual model development is limited to those processes that could impact the fluid flow through the seal system

  4. WIPP shaft seal system parameters recommended to support compliance calculations

    Energy Technology Data Exchange (ETDEWEB)

    Hurtado, L.D.; Knowles, M.K. [Sandia National Labs., Albuquerque, NM (United States); Kelley, V.A.; Jones, T.L.; Ogintz, J.B. [INTERA Inc., Austin, TX (United States); Pfeifle, T.W. [RE/SPEC, Inc., Rapid City, SD (United States)

    1997-12-01

    The US Department of Energy plans to dispose of transuranic waste at the Waste Isolation Pilot Plant (WIPP), which is sited in southeastern New Mexico. The WIPP disposal facility is located approximately 2,150 feet (650 m) below surface in the bedded halite of the Salado Formation. Prior to initiation of disposal activities, the Department of Energy must demonstrate that the WIPP will comply with all regulatory requirements. Applicable regulations require that contaminant releases from the WIPP remain below specified levels for a period of 10,000 years. To demonstrate that the WIPP will comply with these regulations, the Department of Energy has requested that Sandia National Laboratories develop and implement a comprehensive performance assessment of the WIPP repository for the regulatory period. This document presents the conceptual model of the shaft sealing system to be implemented in performance assessment calculations conducted in support of the Compliance Certification Application for the WIPP. The model was developed for use in repository-scale calculations and includes the seal system geometry and materials to be used in grid development as well as all parameters needed to describe the seal materials. These calculations predict the hydrologic behavior of the system. Hence conceptual model development is limited to those processes that could impact the fluid flow through the seal system.

  5. Kinetic studies on the hafnium nad deuterium

    International Nuclear Information System (INIS)

    Bing Wenzeng; Long Xinggui; Zhu Zuliang

    2009-04-01

    Through the method of reaction rate analysis in a constant volume reactor, the time dependence of the pressure drop of the hafnium deuteride formation are studied over a temperature range 573-873 K on a metal hydride thermodynamic and kinetic parameters measuring apparatus. The rate constants of the hafnium deuteride formation, which are 0.0530 s -1 , 0.0452 s -1 , 0.0319 s -1 , 0.0261 s -1 , are calculated at a serial temperatures of 573 K, 673 K, 773 K, 873 K and the initial pressure of 13 kPa. The activation energy of the reaction is (-10.1±1.5) kJ·mol -1 . Comparing the above results with those of titanium deuteride formation on the same measuring apparatus, the kinetic mechanism of the deuteride formation of hafnium and titanium is considered different. It is concluded that the reaction rate of hafnium absorbing deuterium may be controlled by phase transformation and surface oxidation. (authors)

  6. Probabilistic parameter estimation in a 2-step chemical kinetics model for n-dodecane jet autoignition

    Science.gov (United States)

    Hakim, Layal; Lacaze, Guilhem; Khalil, Mohammad; Sargsyan, Khachik; Najm, Habib; Oefelein, Joseph

    2018-05-01

    This paper demonstrates the development of a simple chemical kinetics model designed for autoignition of n-dodecane in air using Bayesian inference with a model-error representation. The model error, i.e. intrinsic discrepancy from a high-fidelity benchmark model, is represented by allowing additional variability in selected parameters. Subsequently, we quantify predictive uncertainties in the results of autoignition simulations of homogeneous reactors at realistic diesel engine conditions. We demonstrate that these predictive error bars capture model error as well. The uncertainty propagation is performed using non-intrusive spectral projection that can also be used in principle with larger scale computations, such as large eddy simulation. While the present calibration is performed to match a skeletal mechanism, it can be done with equal success using experimental data only (e.g. shock-tube measurements). Since our method captures the error associated with structural model simplifications, we believe that the optimised model could then lead to better qualified predictions of autoignition delay time in high-fidelity large eddy simulations than the existing detailed mechanisms. This methodology provides a way to reduce the cost of reaction kinetics in simulations systematically, while quantifying the accuracy of predictions of important target quantities.

  7. Development of a micro-depletion model to us WIMS properties in history-based local-parameter calculations in RFSP

    International Nuclear Information System (INIS)

    Shen, W.

    2004-01-01

    A micro-depletion model has been developed and implemented in the *SIMULATE module of RFSP to use WIMS-calculated lattice properties in history-based local-parameter calculations. A comparison between the micro-depletion and WIMS results for each type of lattice cross section and for the infinite-lattice multiplication factor was also performed for a fuel similar to that which may be used in the ACR fuel. The comparison shows that the micro-depletion calculation agrees well with the WIMS-IST calculation. The relative differences in k-infinity are within ±0.5 mk and ±0.9 mk for perturbation and depletion calculations, respectively. The micro-depletion model gives the *SIMULATE module of RFSP the capability to use WIMS-calculated lattice properties in history-based local-parameter calculations without resorting to the Simple-Cell-Methodology (SCM) surrogate for CANDU core-tracking simulations. (author)

  8. Calculating background levels for ecological risk parameters in toxic harbor sediment

    Science.gov (United States)

    Leadon, C.J.; McDonnell, T.R.; Lear, J.; Barclift, D.

    2007-01-01

    Establishing background levels for biological parameters is necessary in assessing the ecological risks from harbor sediment contaminated with toxic chemicals. For chemicals in sediment, the term contaminated is defined as having concentrations above background and significant human health or ecological risk levels. For biological parameters, a site could be considered contaminated if levels of the parameter are either more or less than the background level, depending on the specific parameter. Biological parameters can include tissue chemical concentrations in ecological receptors, bioassay responses, bioaccumulation levels, and benthic community metrics. Chemical parameters can include sediment concentrations of a variety of potentially toxic chemicals. Indirectly, contaminated harbor sediment can impact shellfish, fish, birds, and marine mammals, and human populations. This paper summarizes the methods used to define background levels for chemical and biological parameters from a survey of ecological risk investigations of marine harbor sediment at California Navy bases. Background levels for regional biological indices used to quantify ecological risks for benthic communities are also described. Generally, background stations are positioned in relatively clean areas exhibiting the same physical and general chemical characteristics as nearby areas with contaminated harbor sediment. The number of background stations and the number of sample replicates per background station depend on the statistical design of the sediment ecological risk investigation, developed through the data quality objective (DQO) process. Biological data from the background stations can be compared to data from a contaminated site by using minimum or maximum background levels or comparative statistics. In Navy ecological risk assessments (ERA's), calculated background levels and appropriate ecological risk screening criteria are used to identify sampling stations and sites with contaminated

  9. Step-by-step optimization and global chaos of nonlinear parameters in exact calculations of few-particle systems

    International Nuclear Information System (INIS)

    Frolov, A.M.

    1986-01-01

    Exact variational calculations are treated for few-particle systems in the exponential basis of relative coordinates using nonlinear parameters. The methods of step-by-step optimization and global chaos of nonlinear parameters are applied to calculate the S and P states of ppμ, ddμ, ttμ homonuclear mesomolecules within the error ≤±0.001 eV. The global chaos method turned out to be well applicable to nuclear 3 H and 3 He systems

  10. Preclinical dynamic 18F-FDG PET - tumor characterization and radiotherapy response assessment by kinetic compartment analysis

    International Nuclear Information System (INIS)

    Roee, Kathrine; Aleksandersen, Thomas B.; Nilsen, Line B.; Hong Qu; Ree, Anne H.; Malinen, Eirik; Kristian, Alexandr; Seierstad, Therese; Olsen, Dag R.

    2010-01-01

    Background. Non-invasive visualization of tumor biological and molecular processes of importance to diagnosis and treatment response is likely to be critical in individualized cancer therapy. Since conventional static 18 F-FDG PET with calculation of the semi-quantitative parameter standardized uptake value (SUV) may be subject to many sources of variability, we here present an approach of quantifying the 18 F-FDG uptake by analytic two-tissue compartment modeling, extracting kinetic tumor parameters from dynamic 18 F-FDG PET. Further, we evaluate the potential of such parameters in radiotherapy response assessment. Material and methods. Male, athymic mice with prostate carcinoma xenografts were subjected to dynamic PET either untreated (n=8) or 24 h post-irradiation (7.5 Gy single dose, n=8). After 10 h of fasting, intravenous bolus injections of 10-15 MBq 18 F-FDG were administered and a 1 h dynamic PET scan was performed. 4D emission data were reconstructed using OSEM-MAP, before remote post-processing. Individual arterial input functions were extracted from the image series. Subsequently, tumor 18 F-FDG uptake was fitted voxel-by-voxel to a compartment model, producing kinetic parameter maps. Results. The kinetic model separated the 18 F-FDG uptake into free and bound tracer and quantified three parameters; forward tracer diffusion (k1), backward tracer diffusion (k2), and rate of 18 F-FDG phosphorylation, i.e. the glucose metabolism (k3). The fitted kinetic model gave a goodness of fit (r2) to the observed data ranging from 0.91 to 0.99, and produced parametrical images of all tumors included in the study. Untreated tumors showed homogeneous intra-group median values of all three parameters (k1, k2 and k3), whereas the parameters significantly increased in the tumors irradiated 24 h prior to 18 F-FDG PET. Conclusions. This study demonstrates the feasibility of a two-tissue compartment kinetic analysis of dynamic 18 F-FDG PET images. If validated, extracted

  11. Kinetic study of the anaerobic biodegradation of alkyl polyglucosides and the influence of their structural parameters.

    Science.gov (United States)

    Ríos, Francisco; Fernández-Arteaga, Alejandro; Lechuga, Manuela; Jurado, Encarnación; Fernández-Serrano, Mercedes

    2016-05-01

    This paper reports a study of the anaerobic biodegradation of non-ionic surfactants alkyl polyglucosides applying the method by measurement of the biogas production in digested sludge. Three alkyl polyglucosides with different length alkyl chain and degree of polymerization of the glucose units were tested. The influence of their structural parameters was evaluated, and the characteristics parameters of the anaerobic biodegradation were determined. Results show that alkyl polyglucosides, at the standard initial concentration of 100 mgC L(-1), are not completely biodegradable in anaerobic conditions because they inhibit the biogas production. The alkyl polyglucoside having the shortest alkyl chain showed the fastest biodegradability and reached the higher percentage of final mineralization. The anaerobic process was well adjusted to a pseudo first-order equation using the carbon produced as gas during the test; also, kinetics parameters and a global rate constant for all the involved metabolic process were determined. This modeling is helpful to evaluate the biodegradation or the persistence of alkyl polyglucosides under anaerobic conditions in the environment and in the wastewater treatment.

  12. Monin-Obukhov Similarity Functions of the Structure Parameter of Temperature and Turbulent Kinetic Energy Dissipation Rate in the Stable Boundary Layer

    NARCIS (Netherlands)

    Hartogensis, O.K.; Debruin, H.A.R.

    2005-01-01

    The Monin-Obukhov similarity theory (MOST) functions fepsi; and fT, of the dissipation rate of turbulent kinetic energy (TKE), ¿, and the structure parameter of temperature, CT2, were determined for the stable atmospheric surface layer using data gathered in the context of CASES-99. These data cover

  13. Synthesis and kinetics of non-isothermal degradation of acetylene terminated silazane

    Institute of Scientific and Technical Information of China (English)

    Wei Jian Han; Li Ye; Ji Dong Hu; Tong Zhao

    2011-01-01

    Novel acetylene terminated silazane compounds, with three types of substituent, were synthesized by the aminolysis of dichlorosilane with 3-aminophenylacetylene (3-APA). Thermal property of the compounds is studied by thermogravimetry analysis (TGA). It shows that the acetylene terminated silazane has high temperature resistance. The char yield at 1000℃ is 77.6, 81.9 and 68.7 wt% for methyl, vinyl, and phenyl substituted silazane, respectively. The pyrolysis kinetics of the silazane is investigated by non-isothermal thermogravimetric measurement. The pyrolysis undergoes three stages, which is resolved by PEAKFIT. The kinetic parameters are calculated by the Kissinger method. The role of functionalities on the thermal resistance is discussed. The vinyl-silazane exhibits higher thermal stability because of higher cross-linking density.

  14. Evaluation of kinetic parameters of 1, 1'-dibenzoylferrocene in non aqueous methanol solution by cyclic voltammetry (abstract)

    International Nuclear Information System (INIS)

    Parveen, R.; Kirmani, M.Z.; Naqvi, I.I.

    2011-01-01

    The electrochemical Kinetic study of 1, 1/sup '/- Dibenzoylferrocene (DBF) at a platinum working electrode in 0.1 mol dm/sup -3/ NaClO/sub 4/ non aqueous medium has been studied by Cyclic voltammetry. The heterogeneous electron transfer rate constants (ks) and the diffusion coefficients (Do) of DBF were estimated at various temperatures (283 - 323 K) and at different scan rates (0.05 - 0.5 V s/sup -1/). A calibration curve, linear over the range of 1 X 10/sup -3/ - 9 X 10/sup -3/ mol dm/sup -3/ ,was plotted at the scan rate of 0.25 Vs/sup -1/. This plot can be used to analyze an unknown sample of the compound. The kinetic data was also used to evaluate the Activation energy (Ea). The thermodynamic parameters such as enthalpy change of activation (delta H/sup */), Entropy change (delta S/sup */) and Gibbs free energy change (delta GH/sup */) were also investigated during the study. (author)

  15. Stability of generalized Runge-Kutta methods for stiff kinetics coupled differential equations

    International Nuclear Information System (INIS)

    Aboanber, A E

    2006-01-01

    A stability and efficiency improved class of generalized Runge-Kutta methods of order 4 are developed for the numerical solution of stiff system kinetics equations for linear and/or nonlinear coupled differential equations. The determination of the coefficients required by the method is precisely obtained from the so-called equations of condition which in turn are derived by an approach based on Butcher series. Since the equations of condition are fewer in number, free parameters can be chosen for optimizing any desired feature of the process. A further related coefficient set with different values of these parameters and the region of absolute stability of the method have been introduced. In addition, the A(α) stability properties of the method are investigated. Implementing the method in a personal computer estimated the accuracy and speed of calculations and verified the good performances of the proposed new schemes for several sample problems of the stiff system point kinetics equations with reactivity feedback

  16. Calculation of electromagnetic constitutive parameters of insulating magnetic materials with conducting inclusions

    Energy Technology Data Exchange (ETDEWEB)

    Kuster, E.; Moore, R.; Lust, L.; Kemper, P. [Georgia Inst. of Tech., Atlanta, GA (United States)

    1996-12-31

    A Method of Moments (MoM) electromagnetic model of percolating conducting films was applied to calculate the effective parameters of the composite formed by conducting inclusions placed within a dispersive magnetic but nondispersive dielectric matrix. The MoM calculations demonstrate a coupling between the magnetic properties of the matrix and the effective composite permittivity and frequency dispersion of the composite. The coupling of permittivity and permeability is observed near the percolation threshold of the composite and for high conductivity inclusions. The prediction agrees with physical expectations since near percolation the conduction correlation length dominates the effective permittivity of the composite and this correlation length is determined by both the permittivity and permeability of the composite.

  17. EPR parameters of E centers inν-SiO2 from first-principles calculations

    International Nuclear Information System (INIS)

    Giacomazzi, Luigi; Martin-Samos, L.; Boukenter, A.; Ouerdane, Y.; Girard, S.; Richard, N.

    2014-01-01

    A first-principles investigation of E' centers in vitreous silica (ν-SiO 2 ) based on calculations of the electron paramagnetic resonance (EPR) parameters is presented. The EPR parameters are obtained by exploiting the gauge including projector augmented wave method as implemented in the QUANTUM-ESPRESSO package. First, we analyze the EPR parameters of a large number of Si 2 dimers. The g tensor of the Si 2 dimers is shown to possess an average rhombic symmetry and larger g principal values with respect to those observed, e.g., for the E 'γ center in silica. Furthermore, the g principal values clearly show a linear trend with the Si-Si dimer length. Our results suggest that the Si 2 dimers could correspond to an unidentified paramagnetic center, though occasionally the calculated g principal values of the Si 2 dimer might be compatible with those found experimentally for the E' δ center. Next, we generate non dimer configurations by a procedure involving structural relaxations in the subsequent positively charged states. In particular, puckered, un-puckered, doubly puckered, and forward-oriented configurations are generated. The distributions of the calculated EPR parameters of the puckered and un-puckered configurations further support the assignment of the E' γ center to an unpaired spin localized at a threefold coordinated silicon dangling bond. Moreover, by analyzing Fermi contacts and g tensors of the puckered and forward-oriented configurations, we suggest the assignment of the E' α center to the latter type of configurations. This work also suggests that the differences in the EPR parameters of E' α and E' γ centers mainly arise from the strained geometry of the silicon dangling bond. In the forward-oriented configurations, one Si-O bond is about 0.2 Angstroms longer than the remaining two, whereas in the silicon dangling bond of the puckered and un-puckered configurations, all three bonds have a length of ≅1

  18. Void coefficient of reactivity calculation for AP-600 core

    International Nuclear Information System (INIS)

    Suparlina, L.; Budiono, T.A.; Mardha, A.; Tukiran

    1998-01-01

    Void coefficient of reactivity as one of reactor kinetics parameters has been carried out. The calculation was done into two steps which is cell calculation using WIMSD/4 and core calculation using Batan-2DIFF code programs with the condition of beginning of cycle with all fresh fuels elements and all control rods withdrawn. The one dimension transport program in four neutron energy groups is used to calculate the cell generation of various core materials cell has been calculated in 1/4 fuel element with cluster model and square pitch arrange. Moderator density have been reduced until 20% for the void coefficient of reactivity calculation. Macroscopic cross-section as the out put of WIMSD/4 is being used as the input at the diffusion neutron program for core calculation. The void coefficient of reactivity of the AP-600 core can be determined with regular neutron flux and adjoint in four energy groups and X-Y geometry. The results is shown that the K eff calculation value is different 5.2% from the design data

  19. Step-by-step optimization and global chaos of nonlinear parameters in exact calculations of few-particle systems

    Energy Technology Data Exchange (ETDEWEB)

    Frolov, A M

    1986-09-01

    Exact variational calculations are treated for few-particle systems in the exponential basis of relative coordinates using nonlinear parameters. The methods of step-by-step optimization and global chaos of nonlinear parameters are applied to calculate the S and P states of pp..mu.., dd..mu.., tt..mu.. homonuclear mesomolecules within the error less than or equal to+-0.001 eV. The global chaos method turned out to be well applicable to nuclear /sup 3/H and /sup 3/He systems.

  20. Hyperfine electric parameters calculation in Si samples implanted with {sup 57}Mn→{sup 57}Fe

    Energy Technology Data Exchange (ETDEWEB)

    Abreu, Y., E-mail: yabreu@ceaden.edu.cu [Centro de Aplicaciones Tecnológicas y Desarrollo Nuclear (CEADEN), Calle 30 No. 502 e/5ta y 7ma Ave., 11300 Miramar, Playa, La Habana (Cuba); Cruz, C.M.; Piñera, I.; Leyva, A.; Cabal, A.E. [Centro de Aplicaciones Tecnológicas y Desarrollo Nuclear (CEADEN), Calle 30 No. 502 e/5ta y 7ma Ave., 11300 Miramar, Playa, La Habana (Cuba); Van Espen, P. [Departement Chemie, Universiteit Antwerpen, Middelheimcampus, G.V.130, Groenenborgerlaan 171, 2020 Antwerpen (Belgium); Van Remortel, N. [Departement Fysica, Universiteit Antwerpen, Middelheimcampus, G.U.236, Groenenborgerlaan 171, 2020 Antwerpen (Belgium)

    2014-07-15

    Nowadays the electronic structure calculations allow the study of complex systems determining the hyperfine parameters measured at a probe atom, including the presence of crystalline defects. The hyperfine electric parameters have been measured by Mössbauer spectroscopy in silicon materials implanted with {sup 57}Mn→{sup 57}Fe ions, observing four main contributions to the spectra. Nevertheless, some ambiguities still remain in the {sup 57}Fe Mössbauer spectra interpretation in this case, regarding the damage configurations and its evolution with annealing. In the present work several implantation environments are evaluated and the {sup 57}Fe hyperfine parameters are calculated. The observed correlation among the studied local environments and the experimental observations is presented, and a tentative microscopic description of the behavior and thermal evolution of the characteristic defects local environments of the probe atoms concerning the location of vacancies and interstitial Si in the neighborhood of {sup 57}Fe ions in substitutional and interstitial sites is proposed.

  1. Kinetics and Mechanism of Electron Transfer Reaction: Oxidation of Sulfanilic Acid by N-Chloro-p-Toluene Sulfonamide in Acid Perchlorate Medium

    Energy Technology Data Exchange (ETDEWEB)

    Sailani, Riya; Bhasin, Meneka; Khandelwal, C. L.; Sharma, P. D. [Univ. of Rajasthan, Jaipur (India)

    2014-01-15

    The kinetics and mechanism of oxidation of sulfanilic acid by N-chloro-p-toluene sulfonamide (chloramine-T) have been studied in acid medium. The species of chloramine-T were analysed on the basis of experimental observations and predominantly reactive species was taken into account for proposition of most plausible reaction mechanism. The derived rate law (1) conforms to such a mechanism. All kinetic parameters were evaluated. Activation parameters such as energy and entropy of activation were calculated to be (61.67 ± 0.47) kJ mol{sup -1} and (-62.71 ± 2.48) JK{sup -1}mol{sup -1} respectively employing Eyring equation.

  2. Theoretical calculation of zero field splitting parameters of Cr{sup 3+} doped ammonium oxalate monohydrate

    Energy Technology Data Exchange (ETDEWEB)

    Kripal, Ram, E-mail: ram_kripal2001@rediffmail.com; Yadav, Awadhesh Kumar, E-mail: aky.physics@gmail.com

    2015-06-15

    Zero field splitting parameters (ZFSPs) D and E of Cr{sup 3+} ion doped ammonium oxalate monohydrate (AOM) are calculated with formula using the superposition model. The theoretically calculated ZFSPs for Cr{sup 3+} in AOM crystal are compared with the experimental value obtained by electron paramagnetic resonance (EPR). Theoretical ZFSPs are in good agreement with the experimental ones. The energy band positions of optical absorption spectra of Cr{sup 3+} in AOM crystal calculated with CFA package are in good match with the experimental values.

  3. Pyrolysis of Waste Castor Seed Cake: A Thermo-Kinetics Study

    Directory of Open Access Journals (Sweden)

    Abdullahi Muhammad Sokoto

    2018-03-01

    Full Text Available Biomass pyrolysis is a thermo-chemical conversion process that is of both industrial and ecological importance. The efficient chemical transformation of waste biomass to numerous products via pyrolysis reactions depends on process kinetic rates; hence the need for kinetic models to best design and operate the pyrolysis. Also, for an efficient design of an environmentally sustainable pyrolysis process of a specific lignocellulosic waste, a proper understanding of its thermo-kinetic behavior is imperative. Thus, pyrolysis kinetics of castor seed de-oiled cake (Ricinus communis using thermogravimetric technique was studied. The decomposition of the cake was carried out in a nitrogen atmosphere with a flow rate of 100mL min-1 from ambient temperature to 900 °C. The results of the thermal profile showed moisture removal and devolatilization stages, and maximum decomposition of the cake occurred at a temperature of 200-400 °C. The kinetic parameters such as apparent activation energy, pre-exponential factor, and order of reaction were determined using Friedman (FD, Kissinger-Akahira-Sunose (KAS, and Flynn-Wall-Ozawa (FWO kinetic models. The average apparent activation energy values of 124.61, 126.95 and 129.80 kJmol-1 were calculated from the slopes of the respective models. The apparent activation energy values obtained depends on conversion, which is an evidence of multi-step kinetic process during the pyrolytic decomposition of the cake. The kinetic data would be of immense benefit to model, design and develop a suitable thermo-chemical system for the conversion of waste de-oil cake to energy carrier.

  4. On the calculation of errors and choice of the parameters of radioisotope following level meters

    International Nuclear Information System (INIS)

    Kalinin, O.V.; Matveev, V.S.; Khatskevich, M.V.

    1979-01-01

    A method for calculating errors of radioisotope following level meters is considered with account of nonlinearity of the system control units. The statistical method of analysis of linear control systems and the approximated method of statistical linearization of nonlinear systems are used during calculating error of a following level meter. Calculation of a nonlinear system by the method of statistical linearization comprises approximation of a nonlinear characteristic by linearized dependence on the base of a certain criterion. Dispersion calculations of output coordinate of a measuring converter are given for different cases of the system input signal. Dependences of fluctuation error on system parameters for level meters with proportional and relay control have been plotted on the base of the given methods. It is stated, that fluctuation error in both cases depend on time constant of a counting rate meter. Minimal error of the level meter decreases with the growth of operating counting rate and with the increase of nonsensitivity zone width. It is also noted, that parameters of the following level meter should be chosen according to requirements for measuring error, device reliability and time of reading fixing

  5. Simulation of light generation in cholesteric liquid crystals using kinetic equations: Time-independent solution

    Energy Technology Data Exchange (ETDEWEB)

    Shtykov, N. M., E-mail: nshtykov@mail.ru; Palto, S. P.; Umanskii, B. A. [Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation)

    2013-08-15

    We report on the results of calculating the conditions for light generation in cholesteric liquid crystals doped with fluorescent dyes using kinetic equations. Specific features of spectral properties of the chiral cholesteric medium as a photonic structure and spatially distributed type of the feedback in the active medium are taken into account. The expression is derived for the threshold pump radiation intensity as a function of the dye concentration and sample thickness. The importance of taking into account the distributed loss level in the active medium for calculating the optimal parameters of the medium and for matching the calculated values with the results of experiments is demonstrated.

  6. Oxidation kinetics of hazelnut oil treated with ozone

    Directory of Open Access Journals (Sweden)

    H. Uzun

    2018-01-01

    Full Text Available The present study investigates the oxidation kinetics of hazelnut oil ozonated in different treatment periods (1, 5, 60 and 180 min. The kinetic rate constant (k was taken as the inverse of oxidation onset time (To observing a linear relationship from the plot of lnTo to isothermal temperatures (373, 383, 393, and 403 K carried out at differential scanning calorimetry. Kinetic parameters, activation energy (Ea, activation enthalpy (ΔH‡ and entropy (ΔS‡ were calculated based on the Arrhenius equation and activated complex theory. k values showed an exponential rise with the increase of ozone treatment time. The increase in k correlated well with the increase in the peroxide and free fatty acid values of all samples. Ea and ∆H‡ of the ozone treated oils showed a reducing trend and reflected an increased oxidation sensitivity after ozone treatment. Consistently, an increase in ∆S‡ indicated a faster oxidation reaction with an increase in ozone exposure time. However, no significant difference was observed in k, Ea, ΔH‡, ΔS‡ (p < 0.05 as a function of storage period, after the hazelnut oil was treated with ozone for 1 min.

  7. Oxidation kinetics of hazelnut oil treated with ozone

    International Nuclear Information System (INIS)

    Uzun, H.; Ibanoglu, E.

    2017-01-01

    The present study investigates the oxidation kinetics of hazelnut oil ozonated in different treatment periods (1, 5, 60 and 180 min). The kinetic rate constant (k) was taken as the inverse of oxidation onset time (To) observing a linear relationship from the plot of ln To to isothermal temperatures (373, 383, 393, and 403 K) carried out at differential scanning calorimetry. Kinetic parameters, activation energy (Ea), activation enthalpy (ΔH‡) and entropy (ΔS‡) were calculated based on the Arrhenius equation and activated complex theory. k values showed an exponential rise with the increase of ozone treatment time. The increase in k correlated well with the increase in the peroxide and free fatty acid values of all samples. Ea and ΔH‡ of the ozone treated oils showed a reducing trend and reflected an increased oxidation sensitivity after ozone treatment. Consistently, an increase in ΔS‡ indicated a faster oxidation reaction with an increase in ozone exposure time. However, no significant difference was observed in k, Ea, ΔH‡, ΔS‡ (p < 0.05) as a function of storage period, after the hazelnut oil was treated with ozone for 1 min. [es

  8. Characteristic parameters of drift chambers calculation; Calculo de los parametros caracteristicos de camaras de deriva

    Energy Technology Data Exchange (ETDEWEB)

    Duran, I; Martinez-Laso, L

    1989-07-01

    We present here the methods we used to analyse the characteristic parameters of drift chambers. The algorithms to calculate the electric potential in any point for any drift chamber geometry are presented. We include the description of the programs used to calculate the electric field, the drift paths, the drift velocity and the drift time. The results and the errors are discussed. (Author) 7 refs.

  9. Assessment of assembly homogenized two-steps core dynamic calculations using direct whole core transport solutions

    International Nuclear Information System (INIS)

    Hursin, Mathieu; Downar, Thomas J.; Yoon, Joo Il; Joo, Han Gyu

    2016-01-01

    Highlights: • Reactivity initiated accident analysis with direct whole core transient transport code. • Comparison with usual “two steps” procedure. • Effect of effective delayed neutron fraction definition on energy deposition in the fuel. • Effect of homogenized few-group cross sections generation at the assembly level on energy deposition in the fuel. • Effect of effective fuel temperature definition on energy deposition in the fuel. - Abstract: The impact of the approximations in the “two-steps” procedure used in the current generation of nodal simulators for core transient calculations is assessed by using a higher order solution obtained from a direct, whole core, transient transport calculation. A control rod ejection accident in an idealized minicore is analyzed with PARCS, which uses the two-steps procedure and DeCART which provides the higher order solution. DeCART is used as lattice code to provide the homogenized cross sections and kinetics parameters to PARCS. The approximations made by using (1) the homogenized few-group cross sections and kinetic parameters generated at the assembly level, (2) an effective delayed neutrons fraction, (3) an effective fuel temperature and (4) the few-group formulation are investigated in terms of global and local core power behavior. The results presented in the paper show that the current two-steps procedure produces sufficiently accurate transient results with respect to the direct whole core calculation solution, provided that its parameters are carefully generated using the prescriptions described in the present article.

  10. Lifetime estimation of zirconia ceramics by linear ageing kinetics

    International Nuclear Information System (INIS)

    Zhang, Fei; Inokoshi, Masanao; Vanmeensel, Kim; Van Meerbeek, Bart; Naert, Ignace; Vleugels, Jef

    2015-01-01

    Up to now, the ageing kinetics of zirconia ceramics were mainly derived from the sigmoidal evolution of the surface phase transformation as a function of time, as quantified by means of X-ray diffraction (XRD). However, the transformation propagation into the material should be better to monitor the ageing kinetics. In this work, μ-Raman spectroscopy was used to quantitatively measure the transformation profiles in depth as a function of ageing time at 160 °C, 140 °C, 134 °C and 110 °C. A linear relationship between the transformed depth and the ageing time was observed for all investigated yttria stabilized tetragonal zirconia polycrystals (3Y-TZP). Furthermore, the μ-Raman investigation of residual stresses in the subsurface of aged 3Y-TZPs showed that the highest tensile stress was located just ahead of the transformation front, indicating the key responsibility of stress accumulation for transformation front propagating into the material. Moreover, the linear kinetics of the transformation propagation were more accurate to calculate the apparent activation energy of the ageing process and allowed a more straightforward estimation of the lifetime of 3Y-TZP at body temperature, as compared to the conventional ageing kinetic parameters obtained from the surface transformation analysis by XRD

  11. Generalized slow roll for noncanonical kinetic terms

    International Nuclear Information System (INIS)

    Hu, Wayne

    2011-01-01

    We show that the generalized slow roll approach for calculating the power spectrum where the inflationary slow roll parameters are neither small nor slowly varying can be readily extended to models with noncanonical kinetic terms in the inflaton action. For example, rapid sound speed variations can arise in Dirac-Born-Infeld models with features in the warp factor leading to features in the power spectrum. Nonetheless there remains a single source function for deviations that is simply related to the power spectrum. Empirical constraints on this source function can be readily interpreted in the context of features in the inflaton potential or sound speed.

  12. Debye–Einstein approximation approach to calculate the lattice specific heat and related parameters for a Si nanowire

    Directory of Open Access Journals (Sweden)

    A. KH. Alassafee

    2017-11-01

    Full Text Available The modified Debye–Einstein approximation model is used to calculate nanoscale size-dependent values of Gruneisen parameters and lattice specific heat capacity for Si nanowires. All parameters forming the model, including Debye temperatures, bulk moduli, the lattice thermal expansion and the lattice volume, are calculated according to their nanoscale size dependence. Values for lattice volume Gruneisen parameters increase with the decrease of the nanowires’ diameter, while all other parameters decrease. The nanosize dependence of lattice thermal parameters agree with other reported theoretical results. Keywords: Lattice specific heat capacity, Gruneisen parameter, Debye–Einstein model, Si nanowires

  13. Kinetic model framework for aerosol and cloud surface chemistry and gas-particle interactions - Part 1: General equations, parameters, and terminology

    Science.gov (United States)

    Pöschl, U.; Rudich, Y.; Ammann, M.

    2007-12-01

    of intermediate species, sequential processes, and surface layers; and full compatibility with traditional resistor model formulations. The outlined double-layer surface concept and formalisms represent a minimum of model complexity required for a consistent description of the non-linear concentration and time dependences observed in experimental studies of atmospheric multiphase processes (competitive co-adsorption and surface saturation effects, etc.). Exemplary practical applications and model calculations illustrating the relevance of the above aspects are presented in a companion paper (Ammann and Pöschl, 2007). We expect that the presented model framework will serve as a useful tool and basis for experimental and theoretical studies investigating and describing atmospheric aerosol and cloud surface chemistry and gas-particle interactions. It shall help to end the "Babylonian confusion" that seems to inhibit scientific progress in the understanding of heterogeneous chemical reactions and other multiphase processes in aerosols and clouds. In particular, it shall support the planning and design of laboratory experiments for the elucidation and determination of fundamental kinetic parameters; the establishment, evaluation, and quality assurance of comprehensive and self-consistent collections of rate parameters; and the development of detailed master mechanisms for process models and derivation of simplified but yet realistic parameterizations for atmospheric and climate models.

  14. [Molecular-kinetic parameters of thiamine enzymes and the mechanism of antivitamin action of hydroxythiamine in animal organisms].

    Science.gov (United States)

    Ostrovskiĭ KuM; Voskoboev, A I; Gorenshtenĭn, B I; Dosta, G A

    1979-09-01

    The molecula-kinetic parameters (Km, Ki) of three thiamine enzymes, e. g. thiamine pyrophosphokinase (EC 2.7.6.2), pyruvate dehydrogenase (EC 1.2.4.1) and transketolase (EC 2.2.1.1) with respect to the effects of the thiamine antimetabolite hydroxythiamine in the whole animal organism have been compared. It has been shown that only the first two enzymes, which interact competitively with the vitamin, antivitamin or their pyrophosphate ethers, obey the kinetic parameters obtained for the purified enzymes in vitro. The anticoenzymic effect of hydroxythiamine pyrophosphate with respect to transketolase is not observed in vivo at maximal concentration of the anticoenzyme in tissues due to the absence of competitive interactions with thiamine pyrophosphate. The incorporation of the true and false coenzymes into transketolase occurs only during de novo transketolase synthesis (the apoform is absent in tissues, with the exception of erythrocytes) and proceeds slowly with a half-life time equal to 24--30 hrs. After a single injection of hydroxythiamine at a large dose (70--400 mg/kg) the maximal inhibition of the transketolase activity in tissues (liver, heart, kidney, muscle, spleen, lungs adrenal grands) manifests itself by the 48th--72nd hour, when the concentration of free hydroxythiamine and its pyrophosphate is minimal and the whole anticoenzyme is tightly bound to the protein, forming the false holoenzyme. The use of hydroxythiamine for inhibition of pyruvate dehydrogenase or transketolase in animal organism is discussed.

  15. The study of the kinetics of drying food raw material of plant origin in the active hydrodynamic regimes and development of dryer engineering calculation methods

    Directory of Open Access Journals (Sweden)

    A. N. Ostrikov

    2015-01-01

    Full Text Available Consumer properties of food raw material formed during the heat treatment. New physical, flavoring and aromatic properties of the products of plant origin, formed during drying due to substantial changes in the composition of the raw materia l occurring as a result of biochemical reactions. In the production of dried and roasted products is very important to follow the parameters that contribute to the passage of biochemical processes aimed at creating a product with high nutritional qualities, strong aroma and pleasant taste. We studied the basic kinetics of the drying process of food raw material (in terms of artichoke in a dense interspersed layer, which formed the basis for the rational choice of the drying regime with due consideration of changes in the moisture content of the product are studied. The nature of the effect of the dried product movement hydrodynamic conditions on a layer height and intensity of drying is established. As a result of food raw material drying process kinetics analysis (in terms of artichoke multistep drying regimes were chosen. Analysis of the artichoke particles drying by air, air-steam mixture and superheated steam intensity showed the presence of two parts: the horizontal one and gradually diminishing one. Kinetic laws of the artichoke drying process in a dense interspersed layer were the basis of engineering calculation of dryer with a transporting body in the form of a "traveling wave". Application of the dryer with the transporting body in the form of a "traveling wave" for food raw material drying allow to achieve uniform drying of the product due to the use of soft, gentle regimes of oversleeping while preserving to the utmost particles of the product; to improve the quality of the finished product through the use of interspersed layer that reduces clumping of product to be dried.

  16. A critical look at the kinetic parameter values used in simulating the thermoluminescence glow-curve

    Energy Technology Data Exchange (ETDEWEB)

    Sadek, A.M., E-mail: dr_amrsadek@hotmail.com [Ionizing Radiation Metrology Department, National Institute for Standards, El-Haram, Giza (Egypt); Kitis, G. [Nuclear Physics and Elementary Particles Physics Section, Physics Department, Aristotle University of Thessaloniki, 54124 Thessaloniki, Makedonia (Greece)

    2017-03-15

    Objections against utilizing the peak fitting method in computing the kinetics parameters of thermoluminescence (TL) glow-peaks were discussed previously in the literature. These objections came through testing the accuracy of the peak fitting by applying on simulated peaks. The results showed that in some cases the simulated peaks may have unusual geometrical properties and do not reflect the real properties of TL peaks. Thereby, estimating the accuracy of the peak fitting by applying on such peaks would be misleading. Two main reasons may lead to unrealistic simulated peaks; the improper selection of the simulation inputs, and performing the TL simulation process via the heating stage only. It has been proved that considering the irradiation and the relaxation stages in the simulation process is crucial. However, there are other cases in which the analytical methods were not able to reveal the real values of the simulated peaks. These cases were successfully resolved using analytical expressions derived from the one trap-one recombination (OTOR) level model and the non-interactive multiple trap system (NMTS) model. A general conclusion can be drawn that the accuracy of the peak fitting method is critically dependent on the TL analytical expressions utilized in this method. The failure of this method in estimating the TL kinetic parameters should be attributed to the TL model equation utilized in fitting process. - Highlights: • Objections against using the TL peak fitting method are discussed. • Improper selection of simulation inputs may lead to non realistic TL peaks. • Considering the irradiation and the relaxation stages in simulation is crucial. • TL expressions could not describe TL peaks with unrealistic geometrical properties. • The accuracy of the peak fitting method depends on the model used in the fitting.

  17. Kinetics of barium sulphate reaction crystallization in crystallizers with internal circulation

    Directory of Open Access Journals (Sweden)

    J. Koralewska

    2008-06-01

    Full Text Available Kinetic calculation results describing the observed nucleation and growth rates of barium sulphate crystals precipitated in an integrated reaction-crystallization process in a barium sulphate-ammonium chloride-water system are presented and analyzed. The scope of experiments included two continuous model DTM-type crystallizers (Draft Tube Magma with internal circulation of the suspension forced by a liquid jet-pump device responsible for stable and intensive enough ascending/descending flow of BaSO4 crystal magma in a mixing chamber. For comparison purposes the experimental data corresponding to a continuous DT (Draft Tube crystallizer with propeller agitator are presented and discussed. The various types of laboratory crystallizers used were fed with concentrated water solution of barium chloride (of 10 or 24 mass % and - in a stoichiometric proportion - crystalline ammonium sulphate, assuming isothermal (348 K and hydrodynamic (average residence time of suspension in a crystallizer: 900 s process conditions. The observed nucleation and growth rates of barium sulphate crystals were estimated on the basis of crystal size distributions (CSDs using convenient calculation scheme derived for an MSMPR (Mixed Suspension Mixed Product Removal model approach. Considering the experimental population density distribution courses, a size-dependent growth (SDG phenomenon was taken into account in the kinetic calculations. Five SDG kinetic models recommended in the accessible literature were used for kinetic parameter values estimation. It was proved statistically, that Rojkowski’s two SDG models (hyperbolic and exponential best suit for our own experimental data description. The experimental data presented can be practically applied for improving the constructions of liquid jet-pump DTM crystallizers recommended for reaction crystallization of sparingly soluble inorganic salts (especially for high concentrations of reaction substrates in the modern

  18. Inference from some pharmacokinetic and pharmacodynamic parameters of busulfan through the analysis of its induction kinetics of micronuclei polychromated erythrocytes

    International Nuclear Information System (INIS)

    Lopez I, M.R.; Vallarino K, T.; Morales R, P.

    2001-01-01

    The induction kinetics of micronuclei polychromated eritrocites (EPC-MN) which is produced by busulfan and compared with that produced by the ionizing radiation, allows to make inferences over the pharmacokinetics and pharmacodynamics of busulfan. Observing two induction mechanisms of MN, this one early at low doses and other later at high doses, this last is presented to a critical dose being very sheer and associated with an increase of the cytotoxicity. The data suggest the transformation or dependence between these two types of leisures, which to determine the narrow therapeutical margin of busulfan. The pharmacokinetic parameters determined in the early mechanisms kinetics indicate a latency period, a time of effective activity and of half life 5.7, 5.2 and 2.6 h respectively. (Author)

  19. A computer program to calculate the committed dose equivalent after the inhalation of radioactivity

    International Nuclear Information System (INIS)

    Van der Woude, S.

    1989-03-01

    A growing number of people are, as part of their occupation, at risk of being exposed to radiation originating from sources inside their bodies. The quantification of this exposure is an important part of health physics. The International Commission on Radiological Protection (ICRP) developed a first-order kinetics compartmental model to determine the transport of radioactive material through the human body. The model and the parameters involved in its use, are discussed. A versatile computer program was developed to do the following after the in vivo measurement of either the organ- or whole-body activity: calculate the original amount of radioactive material which was inhaled (intake) by employing the ICRP compartmental model of the human body; compare this intake to calculated reference levels and state any action to be taken for the case under consideration; calculate the committed dose equivalent resulting from this intake. In the execution of the above-mentioned calculations, the computer program makes provision for different aerosol particle sizes and the effect of previous intakes. Model parameters can easily be changed to take the effects of, for instance, medical intervention into account. The computer program and the organization of the data in the input files are such that the computer program can be applied to any first-order kinetics compartmental model. The computer program can also conveniently be used for research on problems related to the application of the ICRP model. 18 refs., 25 figs., 5 tabs

  20. Kinetic neoclassical calculations of impurity radiation profiles

    Directory of Open Access Journals (Sweden)

    D.P. Stotler

    2017-08-01

    Full Text Available Modifications of the drift-kinetic transport code XGC0 to include the transport, ionization, and recombination of individual charge states, as well as the associated radiation, are described. The code is first applied to a simulation of an NSTX H-mode discharge with carbon impurity to demonstrate the approach to coronal equilibrium. The effects of neoclassical phenomena on the radiated power profile are examined sequentially through the activation of individual physics modules in the code. Orbit squeezing and the neoclassical inward pinch result in increased radiation for temperatures above a few hundred eV and changes to the ratios of charge state emissions at a given electron temperature. Analogous simulations with a neon impurity yield qualitatively similar results.

  1. Effect of composting on the thermal decomposition behavior and kinetic parameters of pig manure-derived solid waste.

    Science.gov (United States)

    Dhyani, Vaibhav; Kumar Awasthi, Mukesh; Wang, Quan; Kumar, Jitendra; Ren, Xiuna; Zhao, Junchao; Chen, Hongyu; Wang, Meijing; Bhaskar, Thallada; Zhang, Zengqiang

    2018-03-01

    In this work, the influence of composting on the thermal decomposition behavior and decomposition kinetics of pig manure-derived solid wastes was analyzed using thermogravimetry. Wheat straw, biochar, zeolite, and wood vinegar were added to pig manure during composting. The composting was done in the 130 L PVC reactors with 100 L effective volume for 50 days. The activation energy of pyrolysis of samples before and after composting was calculated using Friedman's method, while the pre-exponential factor was calculated using Kissinger's equation. It was observed that composting decreased the volatile content of all the samples. The additives when added together in pig manure lead to a reduction in the activation energy of decomposition, advocating the presence of simpler compounds in the compost material in comparison with the complex feedstock. Copyright © 2017 Elsevier Ltd. All rights reserved.

  2. FORTRAN Code for Glandular Dose Calculation in Mammography Using Sobol-Wu Parameters

    Directory of Open Access Journals (Sweden)

    Mowlavi A A

    2007-07-01

    Full Text Available Background: Accurate computation of the radiation dose to the breast is essential to mammography. Various the thicknesses of breast, the composition of the breast tissue and other variables affect the optimal breast dose. Furthermore, the glandular fraction, which refers to the composition of the breasts, as partitioned between radiation-sensitive glandular tissue and the adipose tissue, also has an effect on this calculation. Fatty or fibrous breasts would have a lower value for the glandular fraction than dense breasts. Breast tissue composed of half glandular and half adipose tissue would have a glandular fraction in between that of fatty and dense breasts. Therefore, the use of a computational code for average glandular dose calculation in mammography is a more effective means of estimating the dose of radiation, and is accurate and fast. Methods: In the present work, the Sobol-Wu beam quality parameters are used to write a FORTRAN code for glandular dose calculation in molybdenum anode-molybdenum filter (Mo-Mo, molybdenum anode-rhodium filter (Mo-Rh and rhodium anode-rhodium filter (Rh-Rh target-filter combinations in mammograms. The input parameters of code are: tube voltage in kV, half-value layer (HVL of the incident x-ray spectrum in mm, breast thickness in cm (d, and glandular tissue fraction (g. Results: The average glandular dose (AGD variation against the voltage of the mammogram X-ray tube for d = 4 cm, HVL = 0.34 mm Al and g=0.5 for the three filter-target combinations, as well as its variation against the glandular fraction of breast tissue for kV=25, HVL=0.34, and d=4 cm has been calculated. The results related to the average glandular absorbed dose variation against HVL for kV = 28, d=4 cm and g= 0.6 are also presented. The results of this code are in good agreement with those previously reported in the literature. Conclusion: The code developed in this study calculates the glandular dose quickly, and it is complete and

  3. METHODOLOGY FOR HYDRAULIC CALCULATION OF RIVER REGULATION AND DETERMINATION OF DIKE PARAMETERS

    Directory of Open Access Journals (Sweden)

    E. I. Mikhnevich

    2017-01-01

    Full Text Available Territory protection against flood water inundation and creation of polder systems are carried out with the help of protection dikes. One of the main requirements to the composition of polder systems in flood plains is a location of border dikes beyond meander belt in order to avoid their erosion when meander development occurs. Meander belt width can be determined on the basis of the analysis of multi-year land surveying pertaining top river-bed building and in the case when such data is not available this parameter is calculated in accordance with the Snishchenko formula. While banking-up a river bed a flooded area is decreasing and, consequently, water level in inter-dike space and rate of flood water are significantly increasing. For this reason it is necessary to locate dikes at a such distance from a river bed which will not cause rather high increase in water level and flow velocity in the inter-dike space. Methodology for hydraulic calculation of river regulation has been developed in order to substantiate design parameters for levee systems, creation of favourable hydraulic regime in these systems and provision of sustainability for dikes. Its main elements are calculations of pass-through capacity of the leveed channel and rise of water level in inter-dike space, and distance between dikes and their crest level. Peculiar feature of the proposed calculated formulae is an interaction consideration of channel and inundated flows. Their mass-exchanging process results in slowing-down of the channel flow and acceleration of the inundated flow. This occurrence is taken into account and coefficients of kinematic efficiency are introduced to the elements of water flow rate in the river channel and flood plain, respectively. The adduced dependencies for determination of a dike crest level (consequently their height take into consideration a rise of water level in inter-dike space for two types of polder systems: non-inundable (winter dikes with

  4. Probing the energy landscape of alanine dipeptide and decalanine using temperature as a tunable parameter in molecular dynamics

    International Nuclear Information System (INIS)

    Chatterjee, A; Bhattacharya, S

    2016-01-01

    We perform several molecular dynamics (MD) calculations of solvated alanine dipeptide and decalanine in vacuum with temperature as a tunable parameter and in the process, generate Markov state models (MSMs) at each temperature. An interesting observation that the kinetic rates appear to obey the Arrhenius rate law allows us to predict the dynamics of alanine dipeptide at 300 K at the microsecond timescales using the nanoseconds long high temperature calculations without actually performing MD simulations at 300 K. We conclude that the energy landscape of alanine dipeptide contains superbasins deeper than k B T and determine the energy barriers associated with the moves from the Arrhenius rate expression. Similar insights regarding the energy landscape associated with folding/unfolding pathways of a deca-alanine molecule are obtained using kinetic rates calculated at different temperatures. (paper)

  5. Calculation of the neutron importance and weighted neutron generation time using MCNIC method in accelerator driven subcritical reactors

    Energy Technology Data Exchange (ETDEWEB)

    Hassanzadeh, M. [Nuclear Science and Technology Research Institute, AEOI, Tehran, Islamic Republic of Iran (Iran, Islamic Republic of); Feghhi, S.A.H., E-mail: a_feghhi@sbu.ac.ir [Department of Radiation Application, Shahid Beheshti University, G.C., Tehran, Islamic Republic of Iran (Iran, Islamic Republic of); Khalafi, H. [Nuclear Science and Technology Research Institute, AEOI, Tehran, Islamic Republic of Iran (Iran, Islamic Republic of)

    2013-09-15

    Highlights: • All reactor kinetic parameters are importance weighted quantities. • MCNIC method has been developed for calculating neutron importance in ADSRs. • Mean generation time has been calculated in spallation driven systems. -- Abstract: The difference between non-weighted neutron generation time (Λ) and the weighted one (Λ{sup †}) can be quite significant depending on the type of the system. In the present work, we will focus on developing MCNIC method for calculation of the neutron importance (Φ{sup †}) and importance weighted neutron generation time (Λ{sup †}) in accelerator driven systems (ADS). Two hypothetic bare and graphite reflected spallation source driven system have been considered as illustrative examples for this means. The results of this method have been compared with those obtained by MCNPX code. According to the results, the relative difference between Λ and Λ{sup †} is within 36% and 24,840% in bare and reflected illustrative examples respectively. The difference is quite significant in reflected systems and increases with reflector thickness. In Conclusion, this method may be used for better estimation of kinetic parameters rather than the MCNPX code because of using neutron importance function.

  6. Calculation of the neutron importance and weighted neutron generation time using MCNIC method in accelerator driven subcritical reactors

    International Nuclear Information System (INIS)

    Hassanzadeh, M.; Feghhi, S.A.H.; Khalafi, H.

    2013-01-01

    Highlights: • All reactor kinetic parameters are importance weighted quantities. • MCNIC method has been developed for calculating neutron importance in ADSRs. • Mean generation time has been calculated in spallation driven systems. -- Abstract: The difference between non-weighted neutron generation time (Λ) and the weighted one (Λ † ) can be quite significant depending on the type of the system. In the present work, we will focus on developing MCNIC method for calculation of the neutron importance (Φ † ) and importance weighted neutron generation time (Λ † ) in accelerator driven systems (ADS). Two hypothetic bare and graphite reflected spallation source driven system have been considered as illustrative examples for this means. The results of this method have been compared with those obtained by MCNPX code. According to the results, the relative difference between Λ and Λ † is within 36% and 24,840% in bare and reflected illustrative examples respectively. The difference is quite significant in reflected systems and increases with reflector thickness. In Conclusion, this method may be used for better estimation of kinetic parameters rather than the MCNPX code because of using neutron importance function

  7. Influence of the power supply parameters on the projectile energy in the permanent magnet electrodynamic accelerator

    Science.gov (United States)

    Waindok, Andrzej; Piekielny, Paweł

    2017-10-01

    The main objective of the research is to investigate, how the power supply parameters influence the kinetic energy of the movable element, called commonly a projectile or bullet. A calculation and measurement results of transient characteristics for an electrodynamic accelerator with permanent magnet support were presented in the paper. The calculations were made with using field-circuit model, which includes the parameters of the power supply, mass of the bullet and friction phenomenon. Characteristics of energy and muzzle velocity verso supply voltage (50 V to 350 V) and capacitance value (60 mF to 340.5 mF) were determined, as well. A measurement verification of selected points of calculation characteristics were carried out for investigated values of muzzle velocity. A good conformity between calculation and measurement results was obtained. Concluding, presented characteristics of the muzzle velocity and energy of the projectile vs. power supply parameters indicate, that accelerators could be used for fatigue testing of materials.

  8. Influence of the power supply parameters on the projectile energy in the permanent magnet electrodynamic accelerator

    Directory of Open Access Journals (Sweden)

    Waindok Andrzej

    2017-01-01

    Full Text Available The main objective of the research is to investigate, how the power supply parameters influence the kinetic energy of the movable element, called commonly a projectile or bullet. A calculation and measurement results of transient characteristics for an electrodynamic accelerator with permanent magnet support were presented in the paper. The calculations were made with using field-circuit model, which includes the parameters of the power supply, mass of the bullet and friction phenomenon. Characteristics of energy and muzzle velocity verso supply voltage (50 V to 350 V and capacitance value (60 mF to 340.5 mF were determined, as well. A measurement verification of selected points of calculation characteristics were carried out for investigated values of muzzle velocity. A good conformity between calculation and measurement results was obtained. Concluding, presented characteristics of the muzzle velocity and energy of the projectile vs. power supply parameters indicate, that accelerators could be used for fatigue testing of materials.

  9. On-rate based optimization of structure-kinetic relationship--surfing the kinetic map.

    Science.gov (United States)

    Schoop, Andreas; Dey, Fabian

    2015-10-01

    In the lead discovery process residence time has become an important parameter for the identification and characterization of the most efficacious compounds in vivo. To enable the success of compound optimization by medicinal chemistry toward a desired residence time the understanding of structure-kinetic relationship (SKR) is essential. This article reviews various approaches to monitor SKR and suggests using the on-rate as the key monitoring parameter. The literature is reviewed and examples of compound series with low variability as well as with significant changes in on-rates are highlighted. Furthermore, findings of kinetic on-rate changes are presented and potential underlying rationales are discussed. Copyright © 2015 Elsevier Ltd. All rights reserved.

  10. Soot formation in a blast furnace - Prediction via a parametric study, using detailed kinetic modeling

    Energy Technology Data Exchange (ETDEWEB)

    Nordstroem, T.; Kilpinen, P.; Hupa, M. [Aabo Akademi, Turku (Finland). Combustion Chemistry Group

    1996-12-31

    The objective of this work has been to investigate the soot formation in a blast furnace fired with heavy fuel oil, using detailed kinetic modelling. This work has been concentrated on parameter studies that could explain under which conditions soot is formed and how that formation could be avoided. The parameters investigated were temperature, pressure, stoichiometric ratio, pyrolysis gas composition and reactor model. The calculations were based on a reaction mechanism that consists of 100 species and 446 reactions including polyaromatic hydrocarbons (PAM) up to 7 aromatic rings SULA 2 Research Programme; 4 refs.

  11. Soot formation in a blast furnace - Prediction via a parametric study, using detailed kinetic modeling

    Energy Technology Data Exchange (ETDEWEB)

    Nordstroem, T; Kilpinen, P; Hupa, M [Aabo Akademi, Turku (Finland). Combustion Chemistry Group

    1997-12-31

    The objective of this work has been to investigate the soot formation in a blast furnace fired with heavy fuel oil, using detailed kinetic modelling. This work has been concentrated on parameter studies that could explain under which conditions soot is formed and how that formation could be avoided. The parameters investigated were temperature, pressure, stoichiometric ratio, pyrolysis gas composition and reactor model. The calculations were based on a reaction mechanism that consists of 100 species and 446 reactions including polyaromatic hydrocarbons (PAM) up to 7 aromatic rings SULA 2 Research Programme; 4 refs.

  12. A new mathematical model for coal flotation kinetics

    OpenAIRE

    Guerrero-Pérez, Juan Sebastián; Barraza-Burgos, Juan Manuel

    2017-01-01

    Abstract This study describes the development and formulation of a novel mathematical model for coal flotation kinetic. The flotation rate was considered as a function of chemical, operating and petrographic parameters for a global flotation order n. The equation for flotation rate was obtained by dimensional analysis using the Rayleigh method. It shows the dependency of flotation kinetic on operating parameters, such as air velocity and particle size; chemical parameters, such as reagents do...

  13. Variational methods in the kinetic modeling of nuclear reactors: Recent advances

    International Nuclear Information System (INIS)

    Dulla, S.; Picca, P.; Ravetto, P.

    2009-01-01

    The variational approach can be very useful in the study of approximate methods, giving a sound mathematical background to numerical algorithms and computational techniques. The variational approach has been applied to nuclear reactor kinetic equations, to obtain a formulation of standard methods such as point kinetics and quasi-statics. more recently, the multipoint method has also been proposed for the efficient simulation of space-energy transients in nuclear reactors and in source-driven subcritical systems. The method is now founded on a variational basis that allows a consistent definition of integral parameters. The mathematical structure of multipoint and modal methods is also investigated, evidencing merits and shortcomings of both techniques. Some numerical results for simple systems are presented and the errors with respect to reference calculations are reported and discussed. (authors)

  14. Non-isothermal degradation and evaluation of kinetic parameters of some Schiff base metal complexes

    International Nuclear Information System (INIS)

    Mishra, A.P.; Soni, Monika

    2008-01-01

    Thermal decomposition of VO (II)-methyl isobutyl ketone-nicotinamide, VO (II)-2-furfurylidine-3,4-dichloroaniline, Co(II)-4-dimethyl amino benzylidine-3-chloro-4-fluoroaniline, VO(II)-2-pyridine carboxylidine-4-aminobenzoic acid complexes have been carried out by thermogravimetric method. The TG curves of complexes were recorded at a uniform rate of 20 deg C/min in nitrogen. The thermogram of the three VO(II) complexes exhibit single stage decomposition whereas the Co(II) complex shows a double stage decomposition. Various kinetic parameters i. e., energy of activation (E), entropy (AS) and frequency factor (Z) have been evaluated by using Coats-Redfern and Piloyan-Novikova equations and their comparable values are reported. The order of thermal stability of first decomposition stage is as: 4=2>1>3. (author)

  15. Evaluation of the kinetic parameters of CaF2:Tm (TLD-300) thermoluminescence dosemeters

    International Nuclear Information System (INIS)

    Azorin, Juan; Gutierrez, Alicia; Furetta, Claudio

    1989-01-01

    The kinetic parameters of the first, third and fifth peaks of CaF 2 :Tm (TLD-300) dosemeters were determined experimentally using methods based on initial rise, peak shape, different heating rates, isothermal decay and numerical fitting method and a comparison was made between the results obtained. The average activation energy values determined by the methods used here were 0.72, 1.16 and 1.77 eV, with mean values for the frequency factor of 2.58 x 10 8 , 2.89 x 10 13 and 6.16 x 10 16 s -1 for the first, third and fifth peaks respectively. The values of activation energy obtained for each peak using the different methods covered a spread of about 4%. However, the spread for each of the frequency factors was very high. (author)

  16. Mechanism and kinetics of the oxidation of synthetic alpha-NiS

    Directory of Open Access Journals (Sweden)

    BOYAN BOYANOV

    2008-02-01

    Full Text Available The results of an investigation of the mechanism and kinetics of the oxidation process of synthetic a-NiS are presented in this paper. The mechanism of a-NiS oxidation was investigated based on the comparative analysis of DTA–TG–DTG and XRD results, as well as the constructed phase stability diagrams (PSD for the Ni–S–O system. The kinetic investigations of the oxidation process were performed under isothermal conditions (temperature range 823–1073 K. The obtained degrees of desulfurization were used in the calculation process according to the Sharp model and the kinetic parameters, including the activation energies and the rate constants of the characteristic reactions, for the oxidation of a-NiS were determined. These results enabled the formulation of a kinetic equation for the desulfurization process: ‑ln(1−a = k1t = 27.89 exp(–9860/Tt, with an activation energy of 82±4 kJ mol-1, for the first stage of the process and –ln (1 − a = k2t = 1.177 exp(–4810/Tt, with an activation energy of 40±2 kJ mol-1, for the second stage.

  17. Oxidation of phenyl alanine by pyridinium chlorochromate in acidic DMF–water medium: A kinetic study

    Directory of Open Access Journals (Sweden)

    B.L. Hiran

    2016-11-01

    Full Text Available The kinetics of oxidation of phenyl alanine by pyridinium chlorochromate in DMF–water (70:30% mixture in presence of perchloric acid leads to the formation of corresponding aldehyde. The reaction is of first order each in [PCC], [HClO4] and [AA]. Michaelis–Menten type kinetics was observed with phenyl alanine. The reaction rates were determined at different temperatures [25, 30, 35, 40, 45, 50 °C] and the activation parameters were calculated. The reaction does not induce polymerization of acrylonitrile. With an increase in the amount of DMF in its aqueous mixture, the rate increases. A suitable mechanism for the reaction was postulated.

  18. Dose distribution and dosimetry parameters calculation of MED3633 Palladium-103 source in water phantom using MCNP

    International Nuclear Information System (INIS)

    Mowlavi, A. A.; Binesh, A.; Moslehitabar, H.

    2006-01-01

    Palladium-103 ( 103 Pd) is a brachytherapy source for cancer treatment. The Monte Carlo codes are usually applied for dose distribution and effect of shieldings. Monte Carlo calculation of dose distribution in water phantom due to a MED3633 103 Pd source is presented in this work. Materials and Methods: The dose distribution around the 10 3Pd Model MED3633 located in the center of 30*30*30 m 3 water phantom cube was calculated using MCNP code by the Monte Carlo method. The percentage depth dose variation along the different axis parallel and perpendicular to the source was also calculated. Then, the isodose curves for 100%, 75%, 50% and 25% percentage depth dose and dosimetry parameters of TG-43 protocol were determined. Results: The results show that the Monte Carlo Method could calculate dose deposition in high gradient region, near the source, accurately. The isodose curves and dosimetric characteristics obtained for MED3633 103 Pd source are in good agreement with published results. Conclusion: The isodose curves of the MED3633 103 Pd source have been derived form dose calculation by MCNP code. The calculated dosimetry parameters for the source agree quite well with their Monte Carlo calculated and experimental measurement values

  19. Modeling and Elucidation of the Kinetics of Multiple Consecutive Photoreactions AB4(4Φ) With Φ-order Kinetics. Application to the Photodegradation of Riboflavin.

    Science.gov (United States)

    Maafi, Mounir; Maafi, Wassila

    2016-12-01

    New semi-empirical rate-law system of equations is proposed for the first time for consecutive photoreactions that involve up to 4 photoreaction steps, AB 4 (4Φ). The equation system was developed, tested, and validated against synthetic kinetic traces generated by fifth-order Runge-Kutta calculations. The model accurately fitted the kinetic traces of Riboflavin photodegradation in ethanol which decomposes via the AB 2 (2Φ) mechanism involving 2 consecutive photoreaction steps. A kinetic elucidation methodology useful for consecutive photoreactions was also proposed to determine all the kinetic parameters and reaction attributes defining AB 2 (2Φ) reactions. The quantum yields of photodegradation, determined for wavelengths in the visible region 400-480 nm, ranged from 0.005 to 0.00756 and 0.0012 to 8 10 -5 for the first and second photoreaction steps, respectively. They were found to increase with wavelength in defined sigmoid functions. For this monochromatic irradiation range, riboflavin proved to be a useful actinometer. Finally, a photodegradation scale based on pseudo-rate-constant values was also proposed for drugs. This scale (including 4 groups) is thought to contribute to rationalizing photodegradation testing and might prove useful in categorizing drugs' photodegradation reactivity. Copyright © 2016 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

  20. Kinetics of the Reduction of Cadmium Sulfate by Thiourea Dioxide in an Aqueous Ammonia Solution upon the Metallization of Carbon Fiber

    Science.gov (United States)

    Polenov, Yu. V.; Egorova, E. V.; Shestakov, G. A.

    2018-01-01

    The kinetics of the decomposition of thiourea dioxide and the reduction of cadmium cations by thiourea dioxide in an aqueous ammonia solution are studied. The kinetic parameters of these reactions are calculated using experimental data, allowing us to adjust conditions for the synthesis of cadmium coatings on carbon fiber of grade UKN-M-12K. The presence of the metal crystalline phase on the fiber is confirmed by means of X-ray diffraction, and its amount is measured via atomic absorption spectroscopy.

  1. Calculation of parameters of technological equipment for deep-sea mining

    Science.gov (United States)

    Yungmeister, D. A.; Ivanov, S. E.; Isaev, A. I.

    2018-03-01

    The actual problem of extracting minerals from the bottom of the world ocean is considered. On the ocean floor, three types of minerals are of interest: iron-manganese concretions (IMC), cobalt-manganese crusts (CMC) and sulphides. The analysis of known designs of machines and complexes for the extraction of IMC is performed. These machines are based on the principle of excavating the bottom surface; however such methods do not always correspond to “gentle” methods of mining. The ecological purity of such mining methods does not meet the necessary requirements. Such machines require the transmission of high electric power through the water column, which in some cases is a significant challenge. The authors analyzed the options of transportation of the extracted mineral from the bottom. The paper describes the design of machines that collect IMC by the method of vacuum suction. In this method, the gripping plates or drums are provided with cavities in which a vacuum is created and individual IMC are attracted to the devices by a pressure drop. The work of such machines can be called “gentle” processing technology of the bottom areas. Their environmental impact is significantly lower than mechanical devices that carry out the raking of IMC. The parameters of the device for lifting the IMC collected on the bottom are calculated. With the use of Kevlar ropes of serial production up to 0.06 meters in diameter, with a cycle time of up to 2 hours and a lifting speed of up to 3 meters per second, a productivity of about 400,000 tons per year can be realized for IMC. The development of machines based on the calculated parameters and approbation of their designs will create a unique complex for the extraction of minerals at oceanic deposits.

  2. Development of CHARMM-Compatible Force-Field Parameters for Cobalamin and Related Cofactors from Quantum Mechanical Calculations.

    Science.gov (United States)

    Pavlova, Anna; Parks, Jerry M; Gumbart, James C

    2018-02-13

    Corrinoid cofactors such as cobalamin are used by many enzymes and are essential for most living organisms. Therefore, there is broad interest in investigating cobalamin-protein interactions with molecular dynamics simulations. Previously developed parameters for cobalamins are based mainly on crystal structure data. Here, we report CHARMM-compatible force field parameters for several corrinoids developed from quantum mechanical calculations. We provide parameters for corrinoids in three oxidation states, Co 3+ , Co 2+ , and Co 1+ , and with various axial ligands. Lennard-Jones parameters for the cobalt center in the Co(II) and Co(I) states were optimized using a helium atom probe, and partial atomic charges were obtained with a combination of natural population analysis (NPA) and restrained electrostatic potential (RESP) fitting approaches. The Force Field Toolkit was used to optimize all bonded terms. The resulting parameters, determined solely from calculations of cobalamin alone or in water, were then validated by assessing their agreement with density functional theory geometries and by analyzing molecular dynamics simulation trajectories of several corrinoid proteins for which X-ray crystal structures are available. In each case, we obtained excellent agreement with the reference data. In comparison to previous CHARMM-compatible parameters for cobalamin, we observe a better agreement for the fold angle and lower RMSD in the cobalamin binding site. The approach described here is readily adaptable for developing CHARMM-compatible force-field parameters for other corrinoids or large biomolecules.

  3. Calculating the parameters of experimental data Gauss distribution using the least square fit method and evaluation of their accuracy

    International Nuclear Information System (INIS)

    Guseva, E.V.; Peregudov, V.N.

    1982-01-01

    The FITGAV program for calculation of parameters of the Gauss curve describing experimental data is considered. The calculations are based on the least square fit method. The estimations of errors in the parameter determination as a function of experimental data sample volume and their statistical significance are obtained. The curve fit using 100 points occupies less than 1 s at the SM-4 type computer

  4. Customized Steady-State Constraints for Parameter Estimation in Non-Linear Ordinary Differential Equation Models.

    Science.gov (United States)

    Rosenblatt, Marcus; Timmer, Jens; Kaschek, Daniel

    2016-01-01

    Ordinary differential equation models have become a wide-spread approach to analyze dynamical systems and understand underlying mechanisms. Model parameters are often unknown and have to be estimated from experimental data, e.g., by maximum-likelihood estimation. In particular, models of biological systems contain a large number of parameters. To reduce the dimensionality of the parameter space, steady-state information is incorporated in the parameter estimation process. For non-linear models, analytical steady-state calculation typically leads to higher-order polynomial equations for which no closed-form solutions can be obtained. This can be circumvented by solving the steady-state equations for kinetic parameters, which results in a linear equation system with comparatively simple solutions. At the same time multiplicity of steady-state solutions is avoided, which otherwise is problematic for optimization. When solved for kinetic parameters, however, steady-state constraints tend to become negative for particular model specifications, thus, generating new types of optimization problems. Here, we present an algorithm based on graph theory that derives non-negative, analytical steady-state expressions by stepwise removal of cyclic dependencies between dynamical variables. The algorithm avoids multiple steady-state solutions by construction. We show that our method is applicable to most common classes of biochemical reaction networks containing inhibition terms, mass-action and Hill-type kinetic equations. Comparing the performance of parameter estimation for different analytical and numerical methods of incorporating steady-state information, we show that our approach is especially well-tailored to guarantee a high success rate of optimization.

  5. On the distortions in calculated GW parameters during slanted atmospheric soundings

    Science.gov (United States)

    de la Torre, Alejandro; Alexander, Peter; Schmidt, Torsten; Llamedo, Pablo; Hierro, Rodrigo

    2018-03-01

    The significant distortions introduced in the measured atmospheric gravity wavelengths by soundings other than those in vertical and horizontal directions, are discussed as a function of the elevation angle of the sounding path and the gravity wave aspect ratio. Under- or overestimation of real vertical wavelengths during the measurement process depends on the value of these two parameters. The consequences of these distortions on the calculation of the energy and the vertical flux of horizontal momentum are analyzed and discussed in the context of two experimental limb satellite setups: GPS-LEO radio occultations and TIMED/SABER ((Atmosphere using Broadband Emission Radiometry/Thermosphere-Ionosphere-Mesosphere-Energetics and Dynamics)) measurements. Possible discrepancies previously found between the momentum flux calculated from satellite temperature profiles, on site and from model simulations, may to a certain degree be attributed to these distortions. A recalculation of previous momentum flux climatologies based on these considerations seems to be a difficult goal.

  6. Sulfide toxicity kinetics of a uasb reactor

    Directory of Open Access Journals (Sweden)

    D. R. Paula Jr.

    2009-12-01

    Full Text Available The effect of sulfide toxicity on kinetic parameters of anaerobic organic matter removal in a UASB (up-flow anaerobic sludge blanket reactor is presented. Two lab-scale UASB reactors (10.5 L were operated continuously during 12 months. The reactors were fed with synthetic wastes prepared daily using glucose, ammonium acetate, methanol and nutrient solution. One of the reactors also received increasing concentrations of sodium sulfide. For both reactors, the flow rate of 16 L.d-1 was held constant throughout the experiment, corresponding to a hydraulic retention time of 15.6 hours. The classic model for non-competitive sulfide inhibition was applied to the experimental data for determining the overall kinetic parameter of specific substrate utilization (q and the sulfide inhibition coefficient (Ki. The application of the kinetic parameters determined allows prediction of methanogenesis inhibition and thus the adoption of operating parameters to minimize sulfide toxicity in UASB reactors.

  7. Modeling of pollutant formation in fully premixing surface burners using a verified practice-oriented experimental reaction-kinetic calculation method. Final report

    International Nuclear Information System (INIS)

    Ruy, C.; Kremer, H.

    1996-01-01

    The intent of the present study was to simulate quantitatively pollutant formation in premixing surface burners and to describe qualitatively the share of the premixing flame in pollut emissions from atmospheric burners. For this purpose reaction-kinetic programmes for one-dimensional premixing flames were extended by a terms describing heat discharge through gas radiation. Furthermore, the calculation range for the flame was extended far into the secondary reaction zone. Temperature, CO, and NO x profiles were measured in the secondary reaction zone of premixing burners at standard pressure. The air-fuel ratio was calculated within the practically relevant range between 0.5 and 1.5, as was load behaviour. (DG) [de

  8. Sample Size Calculation: Inaccurate A Priori Assumptions for Nuisance Parameters Can Greatly Affect the Power of a Randomized Controlled Trial.

    Directory of Open Access Journals (Sweden)

    Elsa Tavernier

    Full Text Available We aimed to examine the extent to which inaccurate assumptions for nuisance parameters used to calculate sample size can affect the power of a randomized controlled trial (RCT. In a simulation study, we separately considered an RCT with continuous, dichotomous or time-to-event outcomes, with associated nuisance parameters of standard deviation, success rate in the control group and survival rate in the control group at some time point, respectively. For each type of outcome, we calculated a required sample size N for a hypothesized treatment effect, an assumed nuisance parameter and a nominal power of 80%. We then assumed a nuisance parameter associated with a relative error at the design stage. For each type of outcome, we randomly drew 10,000 relative errors of the associated nuisance parameter (from empirical distributions derived from a previously published review. Then, retro-fitting the sample size formula, we derived, for the pre-calculated sample size N, the real power of the RCT, taking into account the relative error for the nuisance parameter. In total, 23%, 0% and 18% of RCTs with continuous, binary and time-to-event outcomes, respectively, were underpowered (i.e., the real power was 90%. Even with proper calculation of sample size, a substantial number of trials are underpowered or overpowered because of imprecise knowledge of nuisance parameters. Such findings raise questions about how sample size for RCTs should be determined.

  9. Characterization of nicotinamidases: steady state kinetic parameters, classwide inhibition by nicotinaldehydes, and catalytic mechanism.

    Science.gov (United States)

    French, Jarrod B; Cen, Yana; Vrablik, Tracy L; Xu, Ping; Allen, Eleanor; Hanna-Rose, Wendy; Sauve, Anthony A

    2010-12-14

    Nicotinamidases are metabolic enzymes that hydrolyze nicotinamide to nicotinic acid. These enzymes are widely distributed across biology, with examples found encoded in the genomes of Mycobacteria, Archaea, Eubacteria, Protozoa, yeast, and invertebrates, but there are none found in mammals. Although recent structural work has improved our understanding of these enzymes, their catalytic mechanism is still not well understood. Recent data show that nicotinamidases are required for the growth and virulence of several pathogenic microbes. The enzymes of Saccharomyces cerevisiae, Drosophila melanogaster, and Caenorhabditis elegans regulate life span in their respective organisms, consistent with proposed roles in the regulation of NAD(+) metabolism and organismal aging. In this work, the steady state kinetic parameters of nicotinamidase enzymes from C. elegans, Sa. cerevisiae, Streptococcus pneumoniae (a pathogen responsible for human pneumonia), Borrelia burgdorferi (the pathogen that causes Lyme disease), and Plasmodium falciparum (responsible for most human malaria) are reported. Nicotinamidases are generally efficient catalysts with steady state k(cat) values typically exceeding 1 s(-1). The K(m) values for nicotinamide are low and in the range of 2 -110 μM. Nicotinaldehyde was determined to be a potent competitive inhibitor of these enzymes, binding in the low micromolar to low nanomolar range for all nicotinamidases tested. A variety of nicotinaldehyde derivatives were synthesized and evaluated as inhibitors in kinetic assays. Inhibitions are consistent with reaction of the universally conserved catalytic Cys on each enzyme with the aldehyde carbonyl carbon to form a thiohemiacetal complex that is stabilized by a conserved oxyanion hole. The S. pneumoniae nicotinamidase can catalyze exchange of (18)O into the carboxy oxygens of nicotinic acid with H(2)(18)O. The collected data, along with kinetic analysis of several mutants, allowed us to propose a catalytic

  10. Process Simulation for the Design and Scale Up of Heterogeneous Catalytic Process: Kinetic Modelling Issues

    Directory of Open Access Journals (Sweden)

    Antonio Tripodi

    2017-05-01

    Full Text Available Process simulation represents an important tool for plant design and optimization, either applied to well established or to newly developed processes. Suitable thermodynamic packages should be selected in order to properly describe the behavior of reactors and unit operations and to precisely define phase equilibria. Moreover, a detailed and representative kinetic scheme should be available to predict correctly the dependence of the process on its main variables. This review points out some models and methods for kinetic analysis specifically applied to the simulation of catalytic processes, as a basis for process design and optimization. Attention is paid also to microkinetic modelling and to the methods based on first principles, to elucidate mechanisms and independently calculate thermodynamic and kinetic parameters. Different case studies support the discussion. At first, we have selected two basic examples from the industrial chemistry practice, e.g., ammonia and methanol synthesis, which may be described through a relatively simple reaction pathway and the relative available kinetic scheme. Then, a more complex reaction network is deeply discussed to define the conversion of bioethanol into syngas/hydrogen or into building blocks, such as ethylene. In this case, lumped kinetic schemes completely fail the description of process behavior. Thus, in this case, more detailed—e.g., microkinetic—schemes should be available to implement into the simulator. However, the correct definition of all the kinetic data when complex microkinetic mechanisms are used, often leads to unreliable, highly correlated parameters. In such cases, greater effort to independently estimate some relevant kinetic/thermodynamic data through Density Functional Theory (DFT/ab initio methods may be helpful to improve process description.

  11. Integrated design of Nb-based superalloys: Ab initio calculations, computational thermodynamics and kinetics, and experimental results

    International Nuclear Information System (INIS)

    Ghosh, G.; Olson, G.B.

    2007-01-01

    An optimal integration of modern computational tools and efficient experimentation is presented for the accelerated design of Nb-based superalloys. Integrated within a systems engineering framework, we have used ab initio methods along with alloy theory tools to predict phase stability of solid solutions and intermetallics to accelerate assessment of thermodynamic and kinetic databases enabling comprehensive predictive design of multicomponent multiphase microstructures as dynamic systems. Such an approach is also applicable for the accelerated design and development of other high performance materials. Based on established principles underlying Ni-based superalloys, the central microstructural concept is a precipitation strengthened system in which coherent cubic aluminide phase(s) provide both creep strengthening and a source of Al for Al 2 O 3 passivation enabled by a Nb-based alloy matrix with required ductile-to-brittle transition temperature, atomic transport kinetics and oxygen solubility behaviors. Ultrasoft and PAW pseudopotentials, as implemented in VASP, are used to calculate total energy, density of states and bonding charge densities of aluminides with B2 and L2 1 structures relevant to this research. Characterization of prototype alloys by transmission and analytical electron microscopy demonstrates the precipitation of B2 or L2 1 aluminide in a (Nb) matrix. Employing Thermo-Calc and DICTRA software systems, thermodynamic and kinetic databases are developed for substitutional alloying elements and interstitial oxygen to enhance the diffusivity ratio of Al to O for promotion of Al 2 O 3 passivation. However, the oxidation study of a Nb-Hf-Al alloy, with enhanced solubility of Al in (Nb) than in binary Nb-Al alloys, at 1300 deg. C shows the presence of a mixed oxide layer of NbAlO 4 and HfO 2 exhibiting parabolic growth

  12. Kinetics and

    Directory of Open Access Journals (Sweden)

    Mojtaba Ahmadi

    2016-11-01

    Full Text Available The aqueous degradation of Reactive Yellow 84 (RY84 by potassium peroxydisulfate (K2S2O8 has been studied in laboratory scale experiments. The effect of the initial concentrations of potassium peroxydisulfate and RY84, pH and temperature on RY84 degradation were also examined. Experimental data were analyzed using first and second-order kinetics. The degradation kinetics of RY84 of the potassium peroxydisulfate process followed the second-order reaction kinetics. These rate constants have an extreme values similar to of 9.493 mM−1min−1 at a peroxydisulfate dose of 4 mmol/L. Thermodynamic parameters such as activation (Ea and Gibbs free energy (ΔG° were also evaluated. The negative value of ΔGo and Ea shows the spontaneous reaction natural conditions and exothermic nature.

  13. The impact of spatial variability of hydrogeological parameters - Monte Carlo calculations using SITE-94 data

    International Nuclear Information System (INIS)

    Pereira, A.; Broed, R.

    2002-03-01

    In this report, several issues related to the probabilistic methodology for performance assessments of repositories for high-level nuclear waste and spent fuel are addressed. Random Monte Carlo sampling is used to make uncertainty analyses for the migration of four nuclides and a decay chain in the geosphere. The nuclides studied are cesium, chlorine, iodine and carbon, and radium from a decay chain. A procedure is developed to take advantage of the information contained in the hydrogeological data obtained from a three-dimensional discrete fracture model as the input data for one-dimensional transport models for use in Monte Carlo calculations. This procedure retains the original correlations between parameters representing different physical entities, namely, between the groundwater flow rate and the hydrodynamic dispersion in fractured rock, in contrast with the approach commonly used that assumes that all parameters supplied for the Monte Carlo calculations are independent of each other. A small program is developed to allow the above-mentioned procedure to be used if the available three-dimensional data are scarce for Monte Carlo calculations. The program allows random sampling of data from the 3-D data distribution in the hydrogeological calculations. The impact of correlations between the groundwater flow and the hydrodynamic dispersion on the uncertainty associated with the output distribution of the radionuclides' peak releases is studied. It is shown that for the SITE-94 data, this impact can be disregarded. A global sensitivity analysis is also performed on the peak releases of the radionuclides studied. The results of these sensitivity analyses, using several known statistical methods, show discrepancies that are attributed to the limitations of these methods. The reason for the difficulties is to be found in the complexity of the models needed for the predictions of radionuclide migration, models that deliver results covering variation of several

  14. Influence of external mass transfer limitation on apparent kinetic parameters of penicillin G acylase immobilized on nonporous ultrafine silica particles.

    Science.gov (United States)

    Kheirolomoom, Azadeh; Khorasheh, Farhad; Fazelinia, Hossein

    2002-01-01

    Immobilization of enzymes on nonporous supports provides a suitable model for investigating the effect of external mass transfer limitation on the reaction rate in the absence of internal diffusional resistance. In this study, deacylation of penicillin G was investigated using penicillin acylase immobilized on ultrafine silica particles. Kinetic studies were performed within the low-substrate-concentration region, where the external mass transfer limitation becomes significant. To predict the apparent kinetic parameters and the overall effectiveness factor, knowledge of the external mass transfer coefficient, k(L)a, is necessary. Although various correlations exist for estimation of k(L)a, in this study, an optimization scheme was utilized to obtain this coefficient. Using the optimum values of k(L)a, the initial reaction rates were predicted and found to be in good agreement with the experimental data.

  15. Kinetics of thermal dehydration of sol-gel derived MgO-ZrO{sub 2} composite hydrogel

    Energy Technology Data Exchange (ETDEWEB)

    Das, Sudip; Das, Sukhen [Jadavpur Univ., Kolkata (India). Dept. of Physics; Mitra, N.K. [Calcutta Univ., Kolkata (India). Dept. of Chemical Technology

    2013-06-15

    The kinetics of thermal dehydration of mixed hydroxide hydrogels in MgO-ZrO{sub 2} system was studied as a function of composition by following the isothermal heat treatment route. Kinetic parameters were calculated through the application of the Guggenheim equation. The expulsion of both loosely bound water and constitutional OH groups were not continuous processes but proceeded in steps. The applicability of 1st order reaction kinetics for the major portion of the reaction for all compositions suggests that during the dehydroxylation process the dehydration is essentially controlled by the orientation of H{sub 2}O molecules and the mutual interaction of hydroxyl groups. Due to a decrease in the concentration of the reacting species the activation energy was always higher at the final stage of dehydration. (orig.)

  16. Saffman-Taylor fingers with kinetic undercooling

    KAUST Repository

    Gardiner, Bennett P. J.

    2015-02-23

    © 2015 American Physical Society. The mathematical model of a steadily propagating Saffman-Taylor finger in a Hele-Shaw channel has applications to two-dimensional interacting streamer discharges which are aligned in a periodic array. In the streamer context, the relevant regularization on the interface is not provided by surface tension but instead has been postulated to involve a mechanism equivalent to kinetic undercooling, which acts to penalize high velocities and prevent blow-up of the unregularized solution. Previous asymptotic results for the Hele-Shaw finger problem with kinetic undercooling suggest that for a given value of the kinetic undercooling parameter, there is a discrete set of possible finger shapes, each analytic at the nose and occupying a different fraction of the channel width. In the limit in which the kinetic undercooling parameter vanishes, the fraction for each family approaches 1/2, suggesting that this "selection" of 1/2 by kinetic undercooling is qualitatively similar to the well-known analog with surface tension. We treat the numerical problem of computing these Saffman-Taylor fingers with kinetic undercooling, which turns out to be more subtle than the analog with surface tension, since kinetic undercooling permits finger shapes which are corner-free but not analytic. We provide numerical evidence for the selection mechanism by setting up a problem with both kinetic undercooling and surface tension and numerically taking the limit that the surface tension vanishes.

  17. Saffman-Taylor fingers with kinetic undercooling

    KAUST Repository

    Gardiner, Bennett P. J.; McCue, Scott W.; Dallaston, Michael C.; Moroney, Timothy J.

    2015-01-01

    © 2015 American Physical Society. The mathematical model of a steadily propagating Saffman-Taylor finger in a Hele-Shaw channel has applications to two-dimensional interacting streamer discharges which are aligned in a periodic array. In the streamer context, the relevant regularization on the interface is not provided by surface tension but instead has been postulated to involve a mechanism equivalent to kinetic undercooling, which acts to penalize high velocities and prevent blow-up of the unregularized solution. Previous asymptotic results for the Hele-Shaw finger problem with kinetic undercooling suggest that for a given value of the kinetic undercooling parameter, there is a discrete set of possible finger shapes, each analytic at the nose and occupying a different fraction of the channel width. In the limit in which the kinetic undercooling parameter vanishes, the fraction for each family approaches 1/2, suggesting that this "selection" of 1/2 by kinetic undercooling is qualitatively similar to the well-known analog with surface tension. We treat the numerical problem of computing these Saffman-Taylor fingers with kinetic undercooling, which turns out to be more subtle than the analog with surface tension, since kinetic undercooling permits finger shapes which are corner-free but not analytic. We provide numerical evidence for the selection mechanism by setting up a problem with both kinetic undercooling and surface tension and numerically taking the limit that the surface tension vanishes.

  18. Oxidation of Methionine by Tripropylammonium Fluorochromate-A Kinetic and Mechanistic Study

    Directory of Open Access Journals (Sweden)

    S. Sheik Mansoor

    2011-01-01

    Full Text Available The kinetics of oxidation of methionine (Met by tripropylammonium fluorochromate (TriPAFC has been studied in the presence of chloroacetic acid in aqueous acetic acid medium. The reaction is first order with respect to methionine, TriPAFC and acid. The reaction rate has been determined at different temperatures and activation parameters calculated. With an increase in the amount of acetic acid in its aqueous mixture, the rate increases. The reaction does not induce polymerization of acrylonitrile. A suitable mechanism has been proposed.

  19. Optical photon transport in powdered-phosphor scintillators. Part II. Calculation of single-scattering transport parameters

    Energy Technology Data Exchange (ETDEWEB)

    Poludniowski, Gavin G. [Joint Department of Physics, Division of Radiotherapy and Imaging, Institute of Cancer Research and Royal Marsden NHS Foundation Trust, Downs Road, Sutton, Surrey SM2 5PT, United Kingdom and Centre for Vision Speech and Signal Processing (CVSSP), Faculty of Engineering and Physical Sciences, University of Surrey, Guildford, Surrey GU2 7XH (United Kingdom); Evans, Philip M. [Centre for Vision Speech and Signal Processing (CVSSP), Faculty of Engineering and Physical Sciences, University of Surrey, Guildford, Surrey GU2 7XH (United Kingdom)

    2013-04-15

    Purpose: Monte Carlo methods based on the Boltzmann transport equation (BTE) have previously been used to model light transport in powdered-phosphor scintillator screens. Physically motivated guesses or, alternatively, the complexities of Mie theory have been used by some authors to provide the necessary inputs of transport parameters. The purpose of Part II of this work is to: (i) validate predictions of modulation transform function (MTF) using the BTE and calculated values of transport parameters, against experimental data published for two Gd{sub 2}O{sub 2}S:Tb screens; (ii) investigate the impact of size-distribution and emission spectrum on Mie predictions of transport parameters; (iii) suggest simpler and novel geometrical optics-based models for these parameters and compare to the predictions of Mie theory. A computer code package called phsphr is made available that allows the MTF predictions for the screens modeled to be reproduced and novel screens to be simulated. Methods: The transport parameters of interest are the scattering efficiency (Q{sub sct}), absorption efficiency (Q{sub abs}), and the scatter anisotropy (g). Calculations of these parameters are made using the analytic method of Mie theory, for spherical grains of radii 0.1-5.0 {mu}m. The sensitivity of the transport parameters to emission wavelength is investigated using an emission spectrum representative of that of Gd{sub 2}O{sub 2}S:Tb. The impact of a grain-size distribution in the screen on the parameters is investigated using a Gaussian size-distribution ({sigma}= 1%, 5%, or 10% of mean radius). Two simple and novel alternative models to Mie theory are suggested: a geometrical optics and diffraction model (GODM) and an extension of this (GODM+). Comparisons to measured MTF are made for two commercial screens: Lanex Fast Back and Lanex Fast Front (Eastman Kodak Company, Inc.). Results: The Mie theory predictions of transport parameters were shown to be highly sensitive to both grain size

  20. Calculation of carbon-14, chlorine-37, and deuterium kinetic isotope effects in the solvolysis of tert-butyl chloride

    International Nuclear Information System (INIS)

    Burton, G.W.; Sims, L.B.; Wilson, J.C.; Fry, A.

    1977-01-01

    In the solvolysis of tert-butyl chloride, satisfactory α-carbon-14, β-deuterium, and chlorine kinetic isotope effects (KIE) may be calculated for a productlike transition state characterized by bond orders n/sub C Cl/ = 0.2, n/sub C C/ = 1.18, and n/sub C H/ = 0.94, employing a diagonal valence force field, provided that allowance is made for hydrogen-bonded solvation of the developing chloride ion with n/sub Cl H/ approx. 0.05 (approx. 7 kcal/mole hydrogen bonds). The effect of the three solvating molecules appears to be to increase the ''effective'' mass of the incipient chloride ion and to decrease the loss of zero-point energy in going to the transition state. Reaction coordinates more complicated than a simple heterolysis of the carbon-chlorine bond appear to be unnecessary and there is no advantage in employing force fields more complex than a simple valence force field containing only diagonal elements for both the reactant and the transition state model. The structural and bonding features of the proposed transition state are in accord with earlier more qualitative conclusions concerning the polar nature and productlike character of the transition state, and provide a reasonable explanation of the kinetic and equilibrium isotope effects (EIE) for the reaction. An alternative transition state model involving weak solvent nucleophilic assistance provides reasonable calculated values for the KIE, but the EIE strongly suggest the importance of solvation of the leaving group which, together with the hyperconjugation of the β hydrogens, provides a preferred explanation of the tert-butyl solvolysis results

  1. Biomechanical parameters in lower limbs during natural walking and Nordic walking at different speeds.

    Science.gov (United States)

    Dziuba, Alicja K; Żurek, Grzegorz; Garrard, Ian; Wierzbicka-Damska, Iwona

    2015-01-01

    Nordic Walking (NW) is a sport that has a number of benefits as a rehabilitation method. It is performed with specially designed poles and has been often recommended as a physical activity that helps reduce the load to limbs. However, some studies have suggested that these findings might be erroneous. The aim of this paper was to compare the kinematic, kinetic and dynamic parameters of lower limbs between Natural Walking (W) and Nordic Walking (NW) at both low and high walking speeds. The study used a registration system, BTS Smart software and Kistler platform. Eleven subjects walked along a 15-metre path at low (below 2 m⋅s-1) and high (over 2 m⋅s-1) walking speeds. The Davis model was employed for calculations of kinematic, kinetic and dynamic parameters of lower limbs. With constant speed, the support given by Nordic Walking poles does not make the stroke longer and there is no change in pelvic rotation either. The only change observed was much bigger pelvic anteversion in the sagittal plane during fast NW. There were no changes in forces, power and muscle torques in lower limbs. The study found no differences in kinematic, kinetic and dynamic parameters between Natural Walking (W) and Nordic Walking (NW). Higher speeds generate greater ground reaction forces and muscle torques in lower limbs. Gait parameters depend on walking speed rather than on walking style.

  2. Development of simple kinetic models and parameter estimation for ...

    African Journals Online (AJOL)

    In order to describe and predict the growth and expression of recombinant proteins by using a genetically modified Pichia pastoris, we developed a number of unstructured models based on growth kinetic equation, fed-batch mass balance and the assumptions of constant cell and protein yields. The growth of P. pastoris on ...

  3. Uncertainty and sensitivity analysis for the modeling of transients with interaction of thermal hydraulics and neutron kinetics

    International Nuclear Information System (INIS)

    Soeren Kliem; Siegfried Mittag; Siegfried Langenbuch

    2005-01-01

    Full text of publication follows: The transition from the application of conservative models to the use of best-estimate models raises the question about the uncertainty of the obtained results. This question becomes especially important, if the best-estimate models should be used for safety analyses in the field of nuclear engineering. Different methodologies were developed to assess the uncertainty of the calculation results of computer simulation codes. One of them is the methodology developed by Gesellschaft fuer Anlagenund Reaktorsicherheit (GRS) which uses the statistical code package SUSA. In the past, this methodology was applied to the calculation results of the advanced thermal hydraulic system code ATHLET. In the frame of the recently finished EU FP5 funded research project VALCO, that methodology was extended and successfully applied to different coupled code systems, including the uncertainty analysis for neutronics. These code systems consist of a thermal hydraulic system code and a 3D neutron kinetic core model. One of the code systems applied was ATHLET coupled with the Rossendorf kinetics code DYN3D. Two real transients at NPPs with VVER-type reactors documented within the VALCO project were selected for analyses. One was the load drop of one of two turbines to house load level at the Loviisa-1 NPP (VVER-440), the second was a test with the switching-off of one of two main feed water pumps at the VVER-1000 Balakovo-4 NPP. The current paper is dedicated to the different steps of the use and implementation of the GRS methodology to coupled code systems and to the assessment of the results obtained by the DYN3D/ATHLET code. Based on the relevant physical processes in both transients, lists of possible sources of uncertainties were compiled. They are specific for the two transients. Besides control parameters like control rod movement and thermal hydraulic parameters like secondary side pressure, mass flow rates, pressurizer sprayer and heater

  4. Investigation into kinetics of decomposition of nitrates

    International Nuclear Information System (INIS)

    Belov, B.A.; Gorozhankin, Eh.V.; Efremov, V.N.; Sal'nikova, N.S.; Suris, A.L.

    1985-01-01

    Using the method of thermogravimetry, the decomposition of nitrates, Cd(NO 3 ) 2 x4H 2 O, La(NO 3 ) 2 x6H 2 O, Sr(NO 3 ) 2 , ZrO(NO 3 ) 2 x2H 2 O, Y(NO 3 ) 3 x6H 2 O, in particular, is studied in the 20-1000 deg C range. It is shown, that gaseous pyrolysis, products, remaining in the material, hamper greatly the heat transfer required for the decomposition which reduces the reaction order. An effective activation energy of the process is in a satisfactory agreement with the characteristic temperature of the last endotherm. Kinetic parameters are calculated by the minimization method using a computer

  5. Kinetics of isotopic exchange between calcium molybdate and molybdate ions in aqueous solution

    Energy Technology Data Exchange (ETDEWEB)

    Atun, G.; Ayar, N.; Bilgin, B. [Istanbul Univ. (Turkey). Dept. of Chemistry, Fac. of Engineering; Bodur, N.; Ayyildiz, H. [Cekmece Nuclear Research and Training Center, Istanbul (Turkey)

    2007-07-01

    The heterogeneous isotopic anion exchange kinetics and equilibria between calcium molybdate and sodium molybdate solutions have been studied by using {sup 99}Mo as tracer in batch experiments. The values of exchange ratio lower than unity suggest that rate-limiting step is particle diffusion process and the effect of re-crystallization can be neglected. The self-diffusion coefficients calculated using both Paterson's and Nernst-Plank approximations are increased by the temperature. The observed values for isotope exchange characteristics such as exchange fractions, exchanging amounts and fractional attainment of equilibrium are consistent with those of their calculated values. Activation energy and thermodynamic parameters calculated based on transition state theory indicate the existence of both energy and entropy barrier in the system. (orig.)

  6. Kinetics of isotopic exchange between calcium molybdate and molybdate ions in aqueous solution

    International Nuclear Information System (INIS)

    Atun, G.; Ayar, N.; Bilgin, B.

    2007-01-01

    The heterogeneous isotopic anion exchange kinetics and equilibria between calcium molybdate and sodium molybdate solutions have been studied by using 99 Mo as tracer in batch experiments. The values of exchange ratio lower than unity suggest that rate-limiting step is particle diffusion process and the effect of re-crystallization can be neglected. The self-diffusion coefficients calculated using both Paterson's and Nernst-Plank approximations are increased by the temperature. The observed values for isotope exchange characteristics such as exchange fractions, exchanging amounts and fractional attainment of equilibrium are consistent with those of their calculated values. Activation energy and thermodynamic parameters calculated based on transition state theory indicate the existence of both energy and entropy barrier in the system. (orig.)

  7. Evaluation of reaction mechanisms and the kinetic parameters for the transesterification of castor oil by liquid enzymes

    DEFF Research Database (Denmark)

    Andrade, Thalles Allan; Errico, Massimiliano; Christensen, Knud Villy

    2017-01-01

    of the transesterification of castor oil with methanol using the enzyme Eversa® Transform as catalyst were investigated. Reactions were carried out for 8 hours at 35 °C with: an alcohol-to-oil molar ratio equal to 6:1, a 5 wt% of liquid enzyme solution and addition of 5 wt% of water by weight of castor oil. From...... methanolysis rates of glycerides obtained, indicated that transesterification dominates over hydrolysis. The mechanism among the four models proposed that gave the best fit could be simplified, eliminating the kinetic parameters with negligible effects on the reaction rates. This model was able to fit...

  8. Thermodynamic calculation of the Fe-Zn-Si system

    Energy Technology Data Exchange (ETDEWEB)

    Su Xuping [Institute of Materials Research, School of Mechanical Engineering, Xiangtan University, Xiangtan 411105, Hunan (China)]. E-mail: sxping@xtu.edu.cn; Yin Fucheng [Institute of Materials Research, School of Mechanical Engineering, Xiangtan University, Xiangtan 411105, Hunan (China); Li Zhi [Institute of Materials Research, School of Mechanical Engineering, Xiangtan University, Xiangtan 411105, Hunan (China); Tang, N.-Y. [Teck Cominco Metals Ltd., Product Technology Centre, Mississauga, Ont., L5K 1B4 (Canada); Zhao Manxiu [Institute of Materials Research, School of Mechanical Engineering, Xiangtan University, Xiangtan 411105, Hunan (China)

    2005-06-21

    Silicon in steel significantly affects alloy growth kinetics in the coating in general galvanizing, thereby changing the coating microstructure from the usual stratified Fe-Zn alloy layers to a mass of {zeta} crystallites surrounding by liquid zinc. The Zn-Fe-Si phase diagram and the relevant thermodynamic information have great importance for the galvanizing industry in developing remedies for this problem. In this work, the available information on the Fe-Zn-Si system, including all three binary systems was reviewed and re-evaluated, and ternary parameters were extracted from the available experimental data. By assuming all the binary intermetallic phases with the exception of the {delta}, {gamma}{sub 1}, and {gamma} phases, have no ternary solubility, a thermodynamic calculation of the Fe-Zn-Si system was carried out, and relevant isothermal and isopleths sections were calculated. Its applicability in galvanizing industry was discussed. There is a good agreement between the calculated and the experimentally determined phase boundaries.

  9. Net joint kinetics in the limbs of pigs walking on concrete floor in dry and contaminated conditions

    DEFF Research Database (Denmark)

    Thorup, Vivi M.; Laursen, Bjarne; Jensen, Bente Rona

    2008-01-01

    In pigs (Sus scrofa), joint disorders are frequent leg problems, and inappropriate pigpen floors and slippery floor conditions may contribute to these problems. Therefore, this study first aimed to quantify the net joint kinetics (net joint moments and net joint reaction forces) in the forelimbs...... and hindlimbs of healthy pigs walking on solid concrete floors. Second, this study aimed to examine the effect of floor condition on the net joint kinetics. Kinematic (50-Hz video recordings) and kinetic (1-kHz force plate measurements) data were collected from 30 pigs and combined with body segment parameters...... from a cadaver study. Net joint kinetics was calculated by using a 2-dimensional inverse dynamic solution. Inverse dynamics have, to our knowledge, not been applied in pigs before. Dry, greasy, and wet floor conditions were tested with 10 pigs each. In the forelimbs, peak joint moment was less (P

  10. Kinetics of potassium, rubidium and cesium in rat

    International Nuclear Information System (INIS)

    Natsuhori, Masahiro; Kosaka, Shigetoshi; Nishikawa, Miki; Okida, Masato; Ito, Nobuhiko

    1998-01-01

    Apparent incorporation rates of K and Rb into red blood cells were investigated in rats in consideration of passive diffusion to clarify in vivo kinetics of alkali metals. First, the incorporation rates of K and Rb into blood cells were determined by incubating blood samples from SD rat with 42 K and 86 Rb-buffers. And parameters involving in these incorporations such as Vmax (maximum rate of active transport), {S} (substrate concentration), Km (Michaelis constant), n (cooperativity of active transport), etc. were evaluated based on the time-course changes in K and Rb incorporation. Then, K and Rb were given to SD rats and the respective levels in plasma, red blood cells and urine were determined. The parameters were evaluated based on the time course changes in these levels by using compartment model. Similarly, the kinetics of Cs were investigated in rats. The absorption, distribution and disappearance of alkali metals were investigated in vivo to compare in vivo kinetics among the metals. By applying the kinetic parameters analyzed, Cs kinetics, in vivo could be estimated and Cs intake was able to be also estimated by determining the Cs levels of blood cells, urine and plasma. (M.N.)

  11. Biosorption of bovine serum albumin by Ulva lactuca biomass from industrial wastewater: Equilibrium, kinetic and thermodynamic study

    International Nuclear Information System (INIS)

    Rathinam, Aravindhan; Zou, Linda

    2010-01-01

    Batch biosorption experiments have been carried out for the removal of bovine serum albumin (BSA) from simulated industrial wastewater onto Ulva lactuca seaweed. Various vital parameters influencing the biosorption process such as initial concentration of BSA, pH of the solution, adsorbent dosage and temperature have been determined. The biosorption kinetics follows a pseudo-second order kinetic model. Equilibrium isotherm studies demonstrate that the biosorption followed the Freundlich isotherm model, which implies a heterogeneous sorption phenomenon. Various thermodynamic parameters such as changes in enthalpy, free energy and entropy have been calculated. The positive value of ΔH o and the negative value of ΔG o show that the sorption process is endothermic and spontaneous. The positive value of change in entropy ΔS o shows increased randomness at the solid-liquid interface during the biosorption of BSA onto U. lactuca seaweed.

  12. Thermodynamic activity-based intrinsic enzyme kinetic sheds light on enzyme-solvent interactions.

    Science.gov (United States)

    Grosch, Jan-Hendrik; Wagner, David; Nistelkas, Vasilios; Spieß, Antje C

    2017-01-01

    The reaction medium has major impact on biocatalytic reaction systems and on their economic significance. To allow for tailored medium engineering, thermodynamic phenomena, intrinsic enzyme kinetics, and enzyme-solvent interactions have to be discriminated. To this end, enzyme reaction kinetic modeling was coupled with thermodynamic calculations based on investigations of the alcohol dehydrogenase from Lactobacillus brevis (LbADH) in monophasic water/methyl tert-butyl ether (MTBE) mixtures as a model solvent. Substrate concentrations and substrate thermodynamic activities were varied separately to identify the individual thermodynamic and kinetic effects on the enzyme activity. Microkinetic parameters based on concentration and thermodynamic activity were derived to successfully identify a positive effect of MTBE on the availability of the substrate to the enzyme, but a negative effect on the enzyme performance. In conclusion, thermodynamic activity-based kinetic modeling might be a suitable tool to initially curtail the type of enzyme-solvent interactions and thus, a powerful first step to potentially understand the phenomena that occur in nonconventional media in more detail. © 2016 American Institute of Chemical Engineers Biotechnol. Prog., 33:96-103, 2017. © 2016 American Institute of Chemical Engineers.

  13. Comparison of 'system thermal-hydraulics-3 dimensional reactor kinetics' coupled calculations using the MARS 1D and 3D modules and the MASTER code

    International Nuclear Information System (INIS)

    Jung, J. J.; Joo, H. K.; Lee, W. J.; Ji, S. K.; Jung, B. D.

    2002-01-01

    KAERI has developed the coupled 'system thermal-hydraulics - 3 dimensional reactor kinetics' code, MARS/MASTER since 1998. However, there is a limitation in the existing MARS/MASTER code; that is, to perform the coupled calculations using MARS/MASTER, we have to utilize the hydrodynamic model and the heat structure model of the MARS '3D module'. In some transients, reactor kinetics behavior is strongly multi-dimensional, but core thermal-hydraulic behavior remains in one-dimensional manner. For efficient analysis of such transients, we coupled the MARS 1D module with MASTER. The new feature has been assessed by the 'OECD NEA Main Steam Line Break (MSLB) benchmark exercise III' simulations

  14. Brachytherapy dosimetry parameters calculated for a 131Cs source

    International Nuclear Information System (INIS)

    Rivard, Mark J.

    2007-01-01

    A comprehensive analysis of the IsoRay Medical model CS-1 Rev2 131 Cs brachytherapy source was performed. Dose distributions were simulated using Monte Carlo methods (MCNP5) in liquid water, Solid TM , and Virtual Water TM spherical phantoms. From these results, the in-water brachytherapy dosimetry parameters have been determined, and were compared with those of Murphy et al. [Med. Phys. 31, 1529-1538 (2004)] using measurements and simulations. Our results suggest that calculations obtained using erroneous cross-section libraries should be discarded as recommended by the 2004 AAPM TG-43U1 report. Our MC Λ value of 1.046±0.019 cGy h -1 U -1 is within 1.3% of that measured by Chen et al. [Med. Phys. 32, 3279-3285 (2005)] using TLDs and the calculated results of Wittman and Fisher [Med. Phys. 34, 49-54 (2007)] using MCNP5. Using the discretized energy approach of Rivard [Appl. Radiat. Isot. 55, 775-782 (2001)] to ascertain the impact of individual 131 Cs photons on radial dose function and anisotropy functions, there was virtual equivalence of results for 29.461≤E γ ≤34.419 keV and for a mono-energetic 30.384 keV photon source. Comparisons of radial dose function and 2D anisotropy function data are also included, and an analysis of material composition and cross-section libraries was performed

  15. Real-time simulation of response to load variation for a ship reactor based on point-reactor double regions and lumped parameter model

    Energy Technology Data Exchange (ETDEWEB)

    Wang Qiao; Zhang De [Department of Nuclear Energy Science and Engineering, Naval University of Engineering, Wuhan 430033 (China); Chen Wenzhen, E-mail: Cwz2@21cn.com [Department of Nuclear Energy Science and Engineering, Naval University of Engineering, Wuhan 430033 (China); Chen Zhiyun [Department of Nuclear Energy Science and Engineering, Naval University of Engineering, Wuhan 430033 (China)

    2011-05-15

    Research highlights: > We calculate the variation of main parameters of the reactor core by the Simulink. > The Simulink calculation software (SCS) can deal well with the stiff problem. > The high calculation precision is reached with less time, and the results can be easily displayed. > The quick calculation of ship reactor transient can be achieved by this method. - Abstract: Based on the point-reactor double regions and lumped parameter model, while the nuclear power plant second loop load is increased or decreased quickly, the Simulink calculation software (SCS) is adopted to calculate the variation of main physical and thermal-hydraulic parameters of the reactor core. The calculation results are compared with those of three-dimensional simulation program. It is indicated that the SCS can deal well with the stiff problem of the point-reactor kinetics equations and the coupled problem of neutronics and thermal-hydraulics. The high calculation precision can be reached with less time, and the quick calculation of parameters of response to load disturbance for the ship reactor can be achieved. The clear image of the calculation results can also be displayed quickly by the SCS, which is very significant and important to guarantee the reactor safety operation.

  16. Exploring the Invisible Renormalon Renormalization of the Heavy-Quark Kinetic Energy

    CERN Document Server

    Neubert, M

    1997-01-01

    Using the virial theorem of the heavy-quark effective theory, we show that the mixing of the operator for the heavy-quark kinetic energy with the identity operator is forbidden at the one-loop order by Lorentz invariance. This explains why such a mixing was not observed in several one-loop calculations using regularization schemes with a Lorentz-invariant UV regulator, and why no UV renormalon singularity was found in the matrix elements of the kinetic operator in the bubble approximation (the ``invisible renormalon''). On the other hand, we show that the mixing is not protected in general by any symmetry, and it indeed occurs at the two-loop order. This implies that the parameter $\\lambda_1^H$ of the heavy-quark effective theory is not directly a physical quantity, but requires a non-perturbative subtraction.

  17. Analytical Expressions for the Mixed-Order Kinetics Parameters of TL Glow Peaks Based on the two Heating Rates Method.

    Science.gov (United States)

    Maghrabi, Mufeed; Al-Abdullah, Tariq; Khattari, Ziad

    2018-03-24

    The two heating rates method (originally developed for first-order glow peaks) was used for the first time to evaluate the activation energy (E) from glow peaks obeying mixed-order (MO) kinetics. The derived expression for E has an insignificant additional term (on the scale of a few meV) when compared with the first-order case. Hence, the original expression for E using the two heating rates method can be used with excellent accuracy in the case of MO glow peaks. In addition, we derived a simple analytical expression for the MO parameter. The present procedure has the advantage that the MO parameter can now be evaluated using analytical expression instead of using the graphical representation between the geometrical factor and the MO parameter as given by the existing peak shape methods. The applicability of the derived expressions for real samples was demonstrated for the glow curve of Li 2 B 4 O 7 :Mn single crystal. The obtained parameters compare very well with those obtained by glow curve fitting and with the available published data.

  18. Parameters calculation of a shielding experiment and evaluation of calculation methodology

    International Nuclear Information System (INIS)

    Gavazza, S.; Otto, A.C.; Gomes, I.C.; Maiorino, J.R.

    1986-01-01

    In this text is carried out the evaluation of radiation transport methodology, comparying the calculated reactions and dose rates, for neutrons and gamma-rays, with the experimental measurements obtained on iron shield, irradiated in YAYOI reactor. Were employed the ENDF/B-IV and VITAMIN-C libraries and the AMPX-II modular system for generation of cross sections, collapsed by the ANISN code. The transport calculation were made by using the DOT 3.5 code, adjusting the spectrum of the iron shield boundary source to the reactions and dose rates, measured at the beginning of shield. The distributions calculated for neutrons and gamma-rays, on iron shield, presented coherence with the experimental measurements. (Author) [pt

  19. Iteration scheme for implicit calculations of kinetic and equilibrium chemical reactions in fluid dynamics

    International Nuclear Information System (INIS)

    Ramshaw, J.D.; Chang, C.H.

    1995-01-01

    An iteration scheme for the implicit treatment of equilibrium chemical reactions in partial equilibrium flow has previously been described. Here we generalize this scheme to kinetic reactions as well as equilibrium reactions. This extends the applicability of the scheme to problems with kinetic reactions that are fast in regions of the flow field but slow in others. The resulting scheme thereby provides a single unified framework for the implicit treatment of an arbitrary number of coupled equilibrium and kinetic reactions in chemically reacting fluid flow. 10 refs., 2 figs

  20. The effect of rock electrical parameters on the calculation of reservoir saturation

    International Nuclear Information System (INIS)

    Li, Xiongyan; Qin, Ruibao; Liu, Chuncheng; Mao, Zhiqiang

    2013-01-01

    The error in calculating a reservoir saturation caused by the error in the cementation exponent, m, and the saturation exponent, n, should be analysed. In addition, the influence of m and n on the reservoir saturation should be discussed. Based on the Archie formula, the effect of variables m and n on the reservoir saturation is analysed, while the formula for the error in calculating the reservoir saturation, caused by the error in m and n, is deduced, and the main factors affecting the error in reservoir saturation are illustrated. According to the physical meaning of m and n, it can be interpreted that they are two independent parameters, i.e., there is no connection between m and n. When m and n have the same error, the impact of the variables on the calculation of the reservoir saturation should be compared. Therefore, when the errors of m and n are respectively equal to 0.2, 0.4 and 0.6, the distribution range of the errors in calculating the reservoir saturation is analysed. However, in most cases, the error of m and n is about 0.2. When the error of m is 0.2, the error in calculating the reservoir saturation ranges from 0% to 35%. Meanwhile, when the error in n is 0.2, the error in calculating the reservoir saturation is almost always below 5%. On the basis of loose sandstone, medium sandstone, tight sandstone, conglomerate, tuff, breccia, basalt, andesite, dacite and rhyolite, this paper first analyses the distribution range and change amplitude of m and n. Second, the impact of m and n on the calculation of reservoir saturation is elaborated upon. With regard to each lithology, the distribution range and change amplitude of m are greater than those of n. Therefore, compared with n, the effect of m on the reservoir saturation is stronger. The influence of m and n on the reservoir saturation is determined, and the error in calculating the reservoir saturation caused by the error of m and n is calculated. This is theoretically and practically significant for

  1. Relativistic Kinetic Theory

    Science.gov (United States)

    Vereshchagin, Gregory V.; Aksenov, Alexey G.

    2017-02-01

    Preface; Acknowledgements; Acronyms and definitions; Introduction; Part I. Theoretical Foundations: 1. Basic concepts; 2. Kinetic equation; 3. Averaging; 4. Conservation laws and equilibrium; 5. Relativistic BBGKY hierarchy; 6. Basic parameters in gases and plasmas; Part II. Numerical Methods: 7. The basics of computational physics; 8. Direct integration of Boltzmann equations; 9. Multidimensional hydrodynamics; Part III. Applications: 10. Wave dispersion in relativistic plasma; 11. Thermalization in relativistic plasma; 12. Kinetics of particles in strong fields; 13. Compton scattering in astrophysics and cosmology; 14. Self-gravitating systems; 15. Neutrinos, gravitational collapse and supernovae; Appendices; Bibliography; Index.

  2. Kinetics and Mechanism of Oxidation of Isoleucine by N-Bromophthalimide in Aqueous Perchloric Acid Medium

    Directory of Open Access Journals (Sweden)

    N. M. I. Alhaji

    2011-01-01

    Full Text Available The kinetics of oxidation of isoleucine with N-bromophthalimide has been studied in perchloric acid medium potentiometrically. The reaction is of first order each in [NBP] and [amino acid] and negative fractional order in [H+]. The rate is decreased by the addition of phthalimide. A decrease in the dielectric constant of the medium increases the rate. Addition of halide ions or acrylonitrile has no effect on the kinetics. Similarly, variation of ionic strength of the medium does not affect the reaction rate. The reaction rate has been determined at different temperatures and activation parameters have been calculated. A suitable mechanism involving hypobromous acid as reactive species has been proposed.

  3. Parameters for calculation of nuclear reactions of relevance to non-energy nuclear applications (Reference Input Parameter Library: Phase III). Summary report of the first research coordination meeting

    International Nuclear Information System (INIS)

    Capote Noy, R.

    2004-08-01

    A summary is given of the First Research Coordination Meeting on Parameters for Calculation of Nuclear Reactions of Relevance to Non-Energy Nuclear Applications (Reference Input Parameter Library: Phase III), including a critical review of the RIPL-2 file. The new library should serve as input for theoretical calculations of nuclear reaction data at incident energies up to 200 MeV, as needed for energy and non-energy modern applications of nuclear data. Technical discussions and the resulting work plan of the Coordinated Research Programme are summarized, along with actions and deadlines. Participants' contributions to the RCM are also attached. (author)

  4. Parameter Optimization for Quantitative Signal-Concentration Mapping Using Spoiled Gradient Echo MRI

    Directory of Open Access Journals (Sweden)

    Gasser Hathout

    2012-01-01

    Full Text Available Rationale and Objectives. Accurate signal to tracer concentration maps are critical to quantitative MRI. The purpose of this study was to evaluate and optimize spoiled gradient echo (SPGR MR sequences for the use of gadolinium (Gd-DTPA as a kinetic tracer. Methods. Water-gadolinium phantoms were constructed for a physiologic range of gadolinium concentrations. Observed and calculated SPGR signal to concentration curves were generated. Using a percentage error determination, optimal pulse parameters for signal to concentration mapping were obtained. Results. The accuracy of the SPGR equation is a function of the chosen MR pulse parameters, particularly the time to repetition (TR and the flip angle (FA. At all experimental values of TR, increasing FA decreases the ratio between observed and calculated signals. Conversely, for a constant FA, increasing TR increases this ratio. Using optimized pulse parameter sets, it is possible to achieve excellent accuracy (approximately 5% over a physiologic range of concentration tracer concentrations. Conclusion. Optimal pulse parameter sets exist and their use is essential for deriving accurate signal to concentration curves in quantitative MRI.

  5. Possibilities of delayed neutron fraction (βeff) calculation and measurement

    International Nuclear Information System (INIS)

    Michalek, S.; Hascik, J.; Farkas, G.

    2008-01-01

    The influence of the delayed neutrons on the reactor dynamics can be understood through their impact on the reactor power change rate. In spite of the fact that delayed neutrons constitute only a very small fraction of the total number of neutrons generated from fission, they play a dominant role in the fission chain reaction control. If only the prompt neutrons existed, the reactor operation would become impossible due to the fast reactor power changes. The exact determination of delayed neutrons main parameter, the delayed neutron fraction (β eff ), is very important in the field of reactor physics. The interest in the delayed neutron data accuracy improvement started to increase at the end of 80-ties and the beginning of 90-ties, after discrepancies among the results of calculations and experiments. In consequence of difficulties in β eff experimental measurement, this value in exact state use to be determined by calculations. Subsequently, its reliability depends on the calculation method and the delayed neutron data used. Determination of β eff requires criticality calculations. In the past, k eff used to be traditionally calculated by taking the ratio of the adjoint- and spectrum-weighted delayed neutron production rate to the adjoint- and spectrum- weighted total neutron production rate. An alternative method has also been used in which β eff is calculated from simple k-eigenvalue solutions. In this work, a summary of possible β eff calculation methods can be found and a calculation of β eff for VR-1 training reactor in one operation state is made using the prompt method, by MCNP5 code. Also a method of β eff kinetic measurement on VR-1 training reactor at Czech Technical University in Prague using in-pile kinetic technique is outlined (authors)

  6. Validation of the MCNP-DSP Monte Carlo code for calculating source-driven noise parameters of subcritical systems

    International Nuclear Information System (INIS)

    Valentine, T.E.; Mihalczo, J.T.

    1995-01-01

    This paper describes calculations performed to validate the modified version of the MCNP code, the MCNP-DSP, used for: the neutron and photon spectra of the spontaneous fission of californium 252; the representation of the detection processes for scattering detectors; the timing of the detection process; and the calculation of the frequency analysis parameters for the MCNP-DSP code

  7. Inverse kinetics equations for on line measurement of reactivity using personal computer

    International Nuclear Information System (INIS)

    Ratemi, Wajdi; El Gadamsi, Walied; Beleid, Abdul Kariem

    1993-01-01

    Computer with their astonishing speed of calculations along with their easy connection to real systems, are very appropriate for digital measurements of real system variables. In the nuclear industry, such computer application will produce compact control rooms of real power plants, where information and results display can be obtained through push button concept. In our study, we use two personal computers for the purpose of simulation and measurement. One of them is used as a digital simulator to a real reactor, where we effectively simulate the reactor power through a cross talk network. The computed power is passed at certain chosen sampling time to the other computer. The purpose of the other computer is to use the inverse kinetics equations to calculate the reactivity parameter based on the received power and then it performs on line display of the power curve and the reactivity curve using color graphics. In this study, we use the one group version of the inverse kinetics algorithm which can easily be extended to larger group version. The language of programming used in Turbo BASIC, which is very comparable, in terms of efficiency, to FORTRAN language, besides its effective graphics routines. With the use of the extended version of the Inverse Kinetics algorithm, we can effectively apply this techniques of measurement for the purpose of on line display of the reactivity of the Tajoura Research Reactor. (author)

  8. Hextran-Smabre calculation of the VVER-1000 coolant transient benchmark

    Energy Technology Data Exchange (ETDEWEB)

    Elina Syrjaelahti; Anitta Haemaelaeinen [VTT Processes, P.O.Box 1604, FIN-02044 VTT (Finland)

    2005-07-01

    Full text of publication follows: The VVER-1000 Coolant Transient benchmark is intended for validation of couplings of the thermal hydraulic codes and three dimensional neutron kinetic core models. It concerns a switching on a main coolant pump when the other three main coolant pumps are in operation. Problem is based on experiment performed in Kozloduy NPP in Bulgaria. In addition to the real plant transient, two extreme scenarios concerning control rod ejection after switching on a main coolant pump were calculated. In VTT the three-dimensional advanced nodal code HEXTRAN is used for the core kinetics and dynamics, and thermohydraulic system code SMABRE as a thermal hydraulic model for the primary and secondary loop. Parallelly coupled HEXTRAN-SMABRE code has been in production use since early 90's, and it has been extensively used for analysis of VVER NPPs. The SMABRE input model is based on the standard VVER-1000 input used in VTT. Last plant specific modifications to the input model have been made in EU projects. The whole core calculation is performed in the core with HEXTRAN. Also the core model is based on earlier VVER-1000 models. Nuclear data for the calculation was specified in the benchmark. The paper outlines the input models used for both codes. Calculated results are introduced both for the coupled core system with inlet and outlet boundary conditions and for the whole plant model. Sensitivity studies have been performed for selected parameters. (authors)

  9. Hextran-Smabre calculation of the VVER-1000 coolant transient benchmark

    International Nuclear Information System (INIS)

    Elina Syrjaelahti; Anitta Haemaelaeinen

    2005-01-01

    Full text of publication follows: The VVER-1000 Coolant Transient benchmark is intended for validation of couplings of the thermal hydraulic codes and three dimensional neutron kinetic core models. It concerns a switching on a main coolant pump when the other three main coolant pumps are in operation. Problem is based on experiment performed in Kozloduy NPP in Bulgaria. In addition to the real plant transient, two extreme scenarios concerning control rod ejection after switching on a main coolant pump were calculated. In VTT the three-dimensional advanced nodal code HEXTRAN is used for the core kinetics and dynamics, and thermohydraulic system code SMABRE as a thermal hydraulic model for the primary and secondary loop. Parallelly coupled HEXTRAN-SMABRE code has been in production use since early 90's, and it has been extensively used for analysis of VVER NPPs. The SMABRE input model is based on the standard VVER-1000 input used in VTT. Last plant specific modifications to the input model have been made in EU projects. The whole core calculation is performed in the core with HEXTRAN. Also the core model is based on earlier VVER-1000 models. Nuclear data for the calculation was specified in the benchmark. The paper outlines the input models used for both codes. Calculated results are introduced both for the coupled core system with inlet and outlet boundary conditions and for the whole plant model. Sensitivity studies have been performed for selected parameters. (authors)

  10. Analysis of kinetic reaction mechanisms

    CERN Document Server

    Turányi, Tamás

    2014-01-01

    Chemical processes in many fields of science and technology, including combustion, atmospheric chemistry, environmental modelling, process engineering, and systems biology, can be described by detailed reaction mechanisms consisting of numerous reaction steps. This book describes methods for the analysis of reaction mechanisms that are applicable in all these fields. Topics addressed include: how sensitivity and uncertainty analyses allow the calculation of the overall uncertainty of simulation results and the identification of the most important input parameters, the ways in which mechanisms can be reduced without losing important kinetic and dynamic detail, and the application of reduced models for more accurate engineering optimizations. This monograph is invaluable for researchers and engineers dealing with detailed reaction mechanisms, but is also useful for graduate students of related courses in chemistry, mechanical engineering, energy and environmental science and biology.

  11. HCP track calculations in Lif:Mg,Ti: 3D modeling of the ''track – escape'' parameter

    International Nuclear Information System (INIS)

    Sattinger, D.; Sharon, A.; Horowitz, Y.S.

    2011-01-01

    The conceptual framework of the track interaction model (TIM) was conceived in the 1970s and mathematically formulated in the 1980s to describe heavy charged particle TL fluence response supralinearity. The extended track interaction model (ETIM) was developed to include saturation effects due to overlapping tracks and has been applied to both proton and alpha particle TL fluence response. One of the parameters of major importance in the TIM is the ''track – escape'' parameter, defined by N e /N w , where N e represents the number of electrons which escape the parent track during heating, and N w is the number of electrons which recombine within the parent track to produce a TL photon. Recently a first attempt was carried out to theoretically model escape parameters calculated in 2D geometry as a function of particle type and energy using trapping center (TC), luminescent center (LC) and competitive center (CC) occupation probabilities calculated from track segment radial dose distributions and optical absorption (OA) dose response. In this study, the calculations are extended to 3D geometry using a Monte Carlo approach which samples the point of creation of the charge carriers according to the TC occupation probabilities and then estimates N w by sampling the chord length to the track exterior. Charge carriers which escape the irradiated track volume contribute to N e . This more sophisticated 3D calculation of N e /N w is expected to increase the reliability of the modeling of heavy charged particle TL fluence response in the framework of the ETIM and enhance our understanding of “track effects” in Heavy Charged Particle (HCP) induced TL.

  12. Associative, thermodynamic and thermo-kinetics behavior of di- and triblock copolymers of oxyethylene and oxybutylene in aqueous media

    International Nuclear Information System (INIS)

    Khan, Abbas; Siddiq, Mohammad

    2014-01-01

    Highlights: • Associative, thermodynamic and thermo-kinetics behavior was investigated. • Micellization of these copolymer is spontaneous, endothermic and entropy driven. • Micelles are spherical in shape and their nature depends on temperature. • Fusion/fission mechanism dominates over unimer entry/expulsion for micellar dynamics. • Micellar parameters depend on temperature and on the delicate hydrophobic–hydrophilic balance of the blocks. - Abstract: The associative, thermodynamic and thermo-kinetics properties of a diblock E 90 B 10 and three triblock copolymers based on polyoxyethylene and polyoxybutylene of the type E m B 10 E m water have been studied by surface tensiometry, light scattering and temperature-jump stopped-flow techniques. The data from surface tension was helpful to detect the critical micelle concentration (CMC) as well as to calculate the thermodynamic parameters of micellization. Dynamic light scattering (DLS) was employed to obtain the values of hydrodynamic radii (R h ), volume (υ h ) and hydrodynamic expansion parameter (δ h ) of the micelle at different temperatures. Similarly, static light scattering (SLS) measurements made us enable to find out various micellar parameters such as; weight-average molar (M w ), association number (N w ), thermodynamic radius (R t ), thermodynamic volume (υ t ), anhydrous volume (υ a ) and thermodynamic expansion parameter (δ t ) of the micelles. Likewise, the kinetics of micellar aggregation/dynamic was also investigated by using temperature-jump stopped-flow technique in the temperature range of 20–50 °C

  13. Determination of kinetic parameters in the systems Li0.5La0.5TiO3 and Li0.5La0.5TiO3/PANI by GITT (Galvanostatic intermittent titration technique)

    International Nuclear Information System (INIS)

    Pérez Cappe, Eduardo; Mosqueda Laffita, Yodalgis; Milian Pila, Carlos R.

    2008-01-01

    Full text: Oxides belonging to the family Li 3x La 2/3-x TiO 3 have been reported as materials of a high Ionic conductivity and a poor electronic conductivity at room temperature. The combination of these materials with other polymer in nature, such as polyaniline (PANI), of proven electronic properties, allows to obtain potentially applicable material in rechargeable Li. In this context the study of diffusive phenomena are of vital importance. A technical electrochemistry of intermittent rating (GITT), which combines state transient measurements and stationary, for the calculation of kinetic parameters in the Li 0.5 La 0.5 TiO 3 system and a composite comprising this oxide and PANI (Li 0.5 La 0.5 TiO 3 /PANI) in its conductive phase (emeraldine) is used in this work. Interesting considerations concerning shows the calculation of the numbers of ionic and electronic transport, necessary for the determination of coefficients of electronic dissemination. (author)

  14. Modern quantum kinetic theory and spectral line shapes

    International Nuclear Information System (INIS)

    Monchick, L.

    1991-01-01

    The modern quantum kinetic theory of spectral line shapes is outlined and a typical calculation of a Raman scattered line shape described. The distinguishing feature of this calculation is that it was completely ab initio and therefore constituted a test of modern quantum kinetic theory, the state of the art in computing molecular-scattering cross sections, and novel methods of solving kinetic equations. The computation employed a large assortment of tools: group theory, finite-element methods, classic methods of solving coupled sets of ordinary differential equations, graph methods of combining angular momenta, and matrix methods of solving integral equations. Agreement with experimental results was excellent. 13 refs

  15. Kinematics and kinetics of elite windmill softball pitching.

    Science.gov (United States)

    Werner, Sherry L; Jones, Deryk G; Guido, John A; Brunet, Michael E

    2006-04-01

    A significant number of time-loss injuries to the upper extremity in elite windmill softball pitchers has been documented. The number of outings and pitches thrown in 1 week for a softball pitcher is typically far in excess of those seen in baseball pitchers. Shoulder stress in professional baseball pitching has been reported to be high and has been linked to pitching injuries. Shoulder distraction has not been studied in an elite softball pitching population. The stresses on the throwing shoulder of elite windmill pitchers are similar to those found for professional baseball pitchers. Descriptive laboratory study. Three-dimensional, high-speed (120 Hz) video data were collected on rise balls from 24 elite softball pitchers during the 1996 Olympic Games. Kinematic parameters related to pitching mechanics and resultant kinetics on the throwing shoulder were calculated. Multiple linear regression analysis was used to relate shoulder stress and pitching mechanics. Shoulder distraction stress averaged 80% of body weight for the Olympic pitchers. Sixty-nine percent of the variability in shoulder distraction can be explained by a combination of 7 parameters related to pitching mechanics. Excessive distraction stress at the throwing shoulder is similar to that found in baseball pitchers, which suggests that windmill softball pitchers are at risk for overuse injuries. Normative information regarding upper extremity kinematics and kinetics for elite softball pitchers has been established.

  16. Heterogeneous kinetics of the reduction of chromium (VI) by elemental iron

    International Nuclear Information System (INIS)

    Fiuza, Antonio; Silva, Aurora; Carvalho, Goreti; Fuente, Antonio V. de la; Delerue-Matos, Cristina

    2010-01-01

    Zero valent iron (ZVI) has been extensively used as a reactive medium for the reduction of Cr(VI) to Cr(III) in reactive permeable barriers. The kinetic rate depends strongly on the superficial oxidation of the iron particles used and the preliminary washing of ZVI increases the rate. The reaction has been primarily modelled using a pseudo-first-order kinetics which is inappropriate for a heterogeneous reaction. We assumed a shrinking particle type model where the kinetic rate is proportional to the available iron surface area, to the initial volume of solution and to the chromium concentration raised to a power α which is the order of the chemical reaction occurring at surface. We assumed α = 2/3 based on the likeness to the shrinking particle models with spherical symmetry. Kinetics studies were performed in order to evaluate the suitability of this approach. The influence of the following parameters was experimentally studied: initial available surface area, chromium concentration, temperature and pH. The assumed order for the reaction was confirmed. In addition, the rate constant was calculated from data obtained in different operating conditions. Digital pictures of iron balls were periodically taken and the image treatment allowed for establishing the time evolution of their size distribution.

  17. Fisher information, kinetic energy and uncertainty relation inequalities

    International Nuclear Information System (INIS)

    Luo Shunlong

    2002-01-01

    By interpolating between Fisher information and mechanical kinetic energy, we introduce a general notion of kinetic energy with respect to a parameter of Schroedinger wavefunctions from a statistical inference perspective. Kinetic energy is the sum of Fisher information and an integral of a parametrized analogue of quantum mechanical current density related to phase. A family of integral inequalities concerning kinetic energy and moments are established, among which the Cramer-Rao inequality and the Weyl-Heisenberg inequality, are special cases. In particular, the integral inequalities involving the negative order moments are relevant to the study of electron systems. Moreover, by specifying the parameter to a scale, we obtain a family of inequalities of uncertainty relation type which incorporate the position and momentum observables symmetrically in a single quantity. (author)

  18. Ballistic parameters and trauma potential of pistol crossbows.

    Science.gov (United States)

    Frank, Matthias; Schikorr, Wolfgang; Tesch, Ralf; Werner, Ronald; Hanisch, Steffen; Peters, Dieter; Ekkernkamp, Axel; Bockholdt, Britta; Seifert, Julia

    2013-07-01

    Hand-held pistol crossbows, which are smaller versions of conventional crossbows, have recently increased in popularity. Similar to conventional crossbows, life threatening injuries due to bolts discharged from pistol crossbows are reported in forensic and traumatological literature. While the ballistic background of conventional crossbows is comprehensively investigated, there are no investigations on the characteristic ballistic parameters (draw force, potential energy, recurve factor, kinetic energy, and efficiency) of pistol crossbows. Two hand-held pistol crossbows (Barnett Commando and Mini Cross Bow, rated draw force 362.9 N or 80 lbs) were tested. The maximum draw force was investigated using a dynamic tensile testing machine (TIRAtest 2705, TIRA GmbH). The potential energy was determined graphically by polynomial regression as area under the force-draw curve. External ballistic parameters of the bolts discharged from pistol crossbows were measured using a redundant ballistic speed measurement system (Dual-BMC 21a and Dual-LS 1000, Werner Mehl Kurzzeitmesstechnik). The average maximum draw force was 190.3 and 175.6 N for the Barnett and Mini Cross Bow, respectively. The corresponding total energy expended was 10.7 and 11 J, respectively. The recurve factor was calculated to be 0.705 and 1.044, respectively. Average bolt velocity was measured 43 up to 52 m/s. The efficiency was calculated up to 0.94. To conclude, this work provides the pending ballistic data on this special subgroup of crossbows which operate on a remarkable low kinetic energy level. Furthermore, it demonstrates that the nominal draw force pretended in the sales brochure is grossly exaggerated.

  19. Assessment of nuclear concentration uncertainties in isotope kinetics by the interval calculation method

    International Nuclear Information System (INIS)

    Kolesov, V.; Kamaev, D.; Hitrick, D.; Ukraitsev, V.

    2008-01-01

    Basically, the problem of dependency fuel cycle characteristic uncertainties from group constants and decay parameters uncertainties can be solved (to some extent) as well by use of sensitivity analysis. However such procedure is rather labor consuming and does not give guaranteed estimations for received parameters since it works, strictly speaking only for small deviations cause it is initially based on linearization of the mathematical problems. Suggested and realized technique of fuel cycle characteristic uncertainties estimation is based on so-call interval analysis (or interval calculations). The basic advantage of this technique is the opportunity of deriving correct estimations. In a professional terms this decision consist on introduction of a new special type of data such as Interval data in a codes and definition from them all arithmetic operations. Interval type data are in a real practice operation and use now. There are many realizations of interval arithmetic implemented by different ways. (orig.)

  20. Kinetic and equilibrium studies of cesium adsorption on ceiling tiles from aqueous solutions.

    Science.gov (United States)

    Miah, Muhammed Yusuf; Volchek, Konstantin; Kuang, Wenxing; Tezel, F Handan

    2010-11-15

    A series of experiments were performed to quantify the adsorption of cesium on ceiling tiles as a representative of urban construction materials. Adsorption was carried out from solutions to mimic wet environmental conditions. Non-radioactive cesium chloride was used as a surrogate of the radioactive (137)Cs. The experiments were performed in the range of initial cesium concentrations of 0.114-23.9 mg L(-1) at room temperature (21°C) around three weeks. Solution samples were taken after set periods of time and analyzed by inductively coupled plasma mass spectrometry (ICP-MS). The quantity of adsorbed Cs was calculated by mass balance as a function of time. Two kinetic and three equilibrium models were employed to interpret the test results. Determination of kinetic parameters for adsorption was carried out using the first-order reaction model and the intra-particle diffusion model. Adsorption equilibrium was studied using Langmuir, Freundlich and three-parameter Langmuir-Freundlich adsorption isotherm models. A satisfactory correlation between the experimental and the predicted values was observed. Crown Copyright © 2010. Published by Elsevier B.V. All rights reserved.