WorldWideScience

Sample records for chemical burnup determination

  1. MONTE-CARLO BURNUP CALCULATION UNCERTAINTY QUANTIFICATION AND PROPAGATION DETERMINATION

    Energy Technology Data Exchange (ETDEWEB)

    Nichols, T.; Sternat, M.; Charlton, W.

    2011-05-08

    MONTEBURNS is a Monte-Carlo depletion routine utilizing MCNP and ORIGEN 2.2. Uncertainties exist in the MCNP transport calculation, but this information is not passed to the depletion calculation in ORIGEN or saved. To quantify this transport uncertainty and determine how it propagates between burnup steps, a statistical analysis of a multiple repeated depletion runs is performed. The reactor model chosen is the Oak Ridge Research Reactor (ORR) in a single assembly, infinite lattice configuration. This model was burned for a 25.5 day cycle broken down into three steps. The output isotopics as well as effective multiplication factor (k-effective) were tabulated and histograms were created at each burnup step using the Scott Method to determine the bin width. It was expected that the gram quantities and k-effective histograms would produce normally distributed results since they were produced from a Monte-Carlo routine, but some of results do not. The standard deviation at each burnup step was consistent between fission product isotopes as expected, while the uranium isotopes created some unique results. The variation in the quantity of uranium was small enough that, from the reaction rate MCNP tally, round off error occurred producing a set of repeated results with slight variation. Statistical analyses were performed using the {chi}{sup 2} test against a normal distribution for several isotopes and the k-effective results. While the isotopes failed to reject the null hypothesis of being normally distributed, the {chi}{sup 2} statistic grew through the steps in the k-effective test. The null hypothesis was rejected in the later steps. These results suggest, for a high accuracy solution, MCNP cell material quantities less than 100 grams and greater kcode parameters are needed to minimize uncertainty propagation and minimize round off effects.

  2. Chemical states of fission products in irradiated (U 0.3Pu 0.7)C 1+ x fuel at high burn-ups

    Science.gov (United States)

    Agarwal, Renu; Venugopal, V.

    2006-12-01

    The chemical states of fission products have been theoretically determined for the irradiated carbide fuel of Fast Breeder Test Reactor (FBTR) at Kalpakkam, India, at different burn-ups. The SOLGASMIX-PV computer code was used to determine the equilibrium chemical composition of the fuel. The system was assumed to be composed of a gaseous phase at one atmosphere pressure, and various solid phases. The distribution of elements in these phases and their chemical states at different temperatures were calculated as a function of burn-up. The FBTR fuel, (U 0.3Pu 0.7)C 1+ x, was loaded with C/M values in the range, 1.03-1.06. The present calculations indicated that even for the lowest starting C/M of 1.03 in the FBTR fuel, the liquid metal phase of (U, Pu), should not appear at a burn-up as high as 150 GWd/t.

  3. Determination of IRT-2M fuel burnup by gamma spectrometry.

    Science.gov (United States)

    Koleška, Michal; Viererbl, Ladislav; Marek, Milan; Ernest, Jaroslav; Šunka, Michal; Vinš, Miroslav

    2016-01-01

    A spectrometric system was developed for evaluating spent fuel in the LVR-15 research reactor, which employs highly enriched (36%) IRT-2M-type fuel. Such system allows the measurement of detailed fission product profiles. Within these measurements, nuclides such as (137)Cs, (134)Cs, (144)Ce, (106)Ru and (154)Eu may be detected in fuel assemblies with different cooling times varying between 1.67 and 7.53 years. Burnup calculations using the MCNPX Monte Carlo code data showed good agreement with measurements, though some discrepancies were observed in certain regions. These discrepancies are attributed to the evaluation of irradiation history, reactor regulation pattern and buildup schemes.

  4. Determination of deuterium–tritium critical burn-up parameter by four temperature theory

    Energy Technology Data Exchange (ETDEWEB)

    Nazirzadeh, M.; Ghasemizad, A. [Department of Physics, University of Guilan, 41335-1914 Rasht (Iran, Islamic Republic of); Khanbabei, B. [School of Physics, Damghan University, 36716-41167 Damghan (Iran, Islamic Republic of)

    2015-12-15

    Conditions for thermonuclear burn-up of an equimolar mixture of deuterium-tritium in non-equilibrium plasma have been investigated by four temperature theory. The photon distribution shape significantly affects the nature of thermonuclear burn. In three temperature model, the photon distribution is Planckian but in four temperature theory the photon distribution has a pure Planck form below a certain cut-off energy and then for photon energy above this cut-off energy makes a transition to Bose-Einstein distribution with a finite chemical potential. The objective was to develop four temperature theory in a plasma to calculate the critical burn up parameter which depends upon initial density, the plasma components initial temperatures, and hot spot size. All the obtained results from four temperature theory model are compared with 3 temperature model. It is shown that the values of critical burn-up parameter calculated by four temperature theory are smaller than those of three temperature model.

  5. Burn-Up Determination by High Resolution Gamma Spectrometry: Axial and Diametral Scanning Experiments

    Energy Technology Data Exchange (ETDEWEB)

    Forsyth, R.S.; Blackadder, W.H.; Ronqvist, N.

    1967-02-15

    In the gamma spectrometric determination of burn-up the use of a single fission product as a monitor of the specimen fission rate is subject to errors caused by activity saturation or, in certain cases, fission product migration. Results are presented of experiments in which all the resolvable gamma peaks in the fission product spectrum have been used to calculate the fission rate; these results form a pattern which reflect errors in the literature values of the gamma branching ratios, fission yields etc., and also represent a series of empirical correction factors. Axial and diametral scanning experiments on a long-irradiated low-enrichment fuel element are also described and demonstrate that it is possible to differentiate between fissions in U-235 and in Pu-239 respectively by means of the ratios of the Ru-106 activity to the activities of the other fission products.

  6. A feasibility and optimization study to determine cooling time and burnup of advanced test reactor fuels using a nondestructive technique

    Energy Technology Data Exchange (ETDEWEB)

    Navarro, Jorge [Univ. of Utah, Salt Lake City, UT (United States)

    2013-12-01

    The goal of this study presented is to determine the best available non-destructive technique necessary to collect validation data as well as to determine burn-up and cooling time of the fuel elements onsite at the Advanced Test Reactor (ATR) canal. This study makes a recommendation of the viability of implementing a permanent fuel scanning system at the ATR canal and leads3 to the full design of a permanent fuel scan system. The study consisted at first in determining if it was possible and which equipment was necessary to collect useful spectra from ATR fuel elements at the canal adjacent to the reactor. Once it was establish that useful spectra can be obtained at the ATR canal the next step was to determine which detector and which configuration was better suited to predict burnup and cooling time of fuel elements non-destructively. Three different detectors of High Purity Germanium (HPGe), Lanthanum Bromide (LaBr3), and High Pressure Xenon (HPXe) in two system configurations of above and below the water pool were used during the study. The data collected and analyzed was used to create burnup and cooling time calibration prediction curves for ATR fuel. The next stage of the study was to determine which of the three detectors tested was better suited for the permanent system. From spectra taken and the calibration curves obtained, it was determined that although the HPGe detector yielded better results, a detector that could better withstand the harsh environment of the ATR canal was needed. The in-situ nature of the measurements required a rugged fuel scanning system, low in maintenance and easy to control system. Based on the ATR canal feasibility measurements and calibration results it was determined that the LaBr3 detector was the best alternative for canal in-situ measurements; however in order to enhance the quality of the spectra collected using this scintillator a deconvolution method was developed. Following the development of the deconvolution method

  7. Burnup determination of a fuel element concerning different cooling times; Seguimiento del quemado de un elemento combustible, para diferentes tiempos de enfriamento

    Energy Technology Data Exchange (ETDEWEB)

    Henriquez, C.; Navarro, G.; Pereda, C.; Mutis, O. [Comision Chilena de Energia Nuclear, Santiago (Chile). Dept. de Aplicaciones Nucleares. Unidad de Reactores; Terremoto, Luis A.A.; Zeituni, Carlos A. [Instituto de Pesquisas Energeticas e Nucleares (IPEN), Sao Paulo, SP (Brazil). Centro de Engenharia Nuclear

    2002-07-01

    In this work we report a complete set of measurements and some relevant results regarding the burnup process of a fuel element containing low enriched nuclear fuel. This fuel element was fabricated at the Plant of Fuel Elements of the Chilean Nuclear Energy Commission (CCHEN). Measurements were carried out using gamma-ray spectroscopy and the absolute burnup of the fuel element was determined. (author)

  8. Chemical states of fission products in irradiated (U{sub 0.3}Pu{sub 0.7})C{sub 1+x} fuel at high burn-ups

    Energy Technology Data Exchange (ETDEWEB)

    Agarwal, Renu [Fuel Chemistry Division, Bhabha Atomic Research Centre, Mumbai 400085 (India)]. E-mail: arenu@barc.gov.in; Venugopal, V. [Fuel Chemistry Division, Bhabha Atomic Research Centre, Mumbai 400085 (India)

    2006-12-01

    The chemical states of fission products have been theoretically determined for the irradiated carbide fuel of Fast Breeder Test Reactor (FBTR) at Kalpakkam, India, at different burn-ups. The SOLGASMIX-PV computer code was used to determine the equilibrium chemical composition of the fuel. The system was assumed to be composed of a gaseous phase at one atmosphere pressure, and various solid phases. The distribution of elements in these phases and their chemical states at different temperatures were calculated as a function of burn-up. The FBTR fuel (U{sub 0.3}Pu{sub 0.7})C{sub 1+x}, was loaded with C/M values in the range, 1.03-1.06. The present calculations indicated that even for the lowest starting C/M of 1.03 in the FBTR fuel, the liquid metal phase of (U, Pu), should not appear at a burn-up as high as 150 GWd/t.

  9. A feasibility study to determine cooling time and burnup of ATR fuel using a nondestructive technique and three types of gamma-ray detectors

    Energy Technology Data Exchange (ETDEWEB)

    Navarro, J.; Aryaeinejad, R.; Nigg, D.W. [Idaho National Laboratory, P. O. Box 1625, Idaho Falls, ID 83415 (United States)

    2011-07-01

    The goal of this work was to perform a feasibility study and establish measurement techniques to determine the burnup of the Advanced Test Reactor (ATR) fuels at the Idaho National Laboratory (INL). Three different detectors of high purity germanium (HPGe), lanthanum bromide (LaBr{sub 3}), and high pressure xenon (HPXe) in two detection system configurations of below and above the water pool were used in this study. The last two detectors were used for the first time in fuel burnup measurements. The results showed that a better quality spectra can be achieved with the above the water pool configuration. Both short and long cooling time fuels were investigated in order to determine which measurement technique, absolute or fission product ratio, is better suited in each scenario and also to establish what type of detector should be used in each case for the best burnup measurement. The burnup and cooling time calibrations were established using experimental absolute activities or isotopic ratios and ORIGEN burnup calculations. A method was developed to do burnup and cooling time calibrations using fission isotopes activities without the need to know the exact geometry. (authors)

  10. Temperature and burnup correlated fuel-cladding chemical interaction in U-10ZR metallic fuel

    Science.gov (United States)

    Carmack, William J.

    Metallic fuels are proposed for use in advanced sodium cooled fast reactors and provide a number of advantages over other fuel types considering their fabricability, performance, recyclability, and safety. Resistance to cladding "breach" and subsequent release of fission products and fuel constituents to the nuclear power plant primary coolant system is a key performance parameter for a nuclear fuel system. In metallic fuel, FCCI weakens the cladding, especially at high power-high temperature operation, contributing to fuel pin breach. Empirical relationships for FCCI have been developed from a large body of data collected from in-pile (EBR-II) and out-of-pile experiments [1]. However, these relationships are unreliable in predicting FCCI outside the range of EBR-II experimental data. This dissertation examines new FCCI data extracted from the MFF-series of prototypic length metallic fuel irradiations performed in the Fast Flux Test Facility (FFTF). The fuel in these assemblies operated a temperature and burnup conditions similar to that in EBR-II but with axial fuel height three times longer than EBR-II experiments. Comparing FCCI formation data from FFTF and EBR-II provides new insight into FCCI formation kinetics. A model is developed combining both production and diffusion of lanthanides to the fuel-cladding interface and subsequent reaction with the cladding. The model allows these phenomena to be influenced by fuel burnup (lanthanide concentrations) and operating temperature. Parameters in the model are adjusted to reproduce measured FCCI layer thicknesses from EBR-II and FFTF. The model predicts that, under appropriate conditions, rate of FCCI formation can be controlled by either fission product transport or by the reaction rate of the interaction species at the fuel-cladding interface. This dissertation will help forward the design of metallic fuel systems for advanced sodium cooled fast reactors by allowing the prediction of FCCI layer formation in full

  11. Thermochemical prediction of chemical form distributions of fission products in LWR oxide fuels irradiated to high burnup

    Energy Technology Data Exchange (ETDEWEB)

    Moriyama, Kouki; Furuya, Hirotaka [Kyushu Univ., Fukuoka (Japan). Faculty of Engineering

    1997-09-01

    Based on the result of micro-gamma scanning of a fuel pin irradiated to high burnup in a commercial PWR, the radial distribution of chemical forms of fission products (FPs) in LWR fuel pins was theoretically predicted by a thermochemical computer code SOLGASMIX-PV. The absolute amounts of fission products generated in the fuel was calculated by ORIGEN-2 code, and the radial distributions of temperature and oxygen potential were calculated by taking the neutron depression and oxygen redistribution in the fuel into account. A fuel pellet was radially divided into 51 sections and chemical forms of FPs were calculated in each section. In addition, the effects of linear heat rating (LHR) and average O/U ratio on radial distribution of chemical form were evaluated. It was found that approximately 13 mole% of the total amount of Cs compounds exists as CsI and virtually remaining fraction as Cs{sub 2}MoO{sub 4} under the operation condition of LHR below 400 W/cm. On the other hand, when LHR is beyond 400 W/cm under the transient operation condition, its distribution did not change so much from the one under normal operation condition. (author)

  12. Development of a method for xenon determination in the microstructure of high burn-up nuclear fuel[Dissertation 17527

    Energy Technology Data Exchange (ETDEWEB)

    Horvath, M. I

    2008-07-01

    In nuclear fuel, in approximately one quarter of the fissions, one of the two formed fission products is gaseous. These are mainly the noble gases xenon and krypton with isotopes of xenon contributing up to 90% of the product gases. These noble fission gases do not combine with other species, and have a low solubility in the normally used uranium oxide matrix. They can be dissolved in the fuel matrix or precipitate in nanometer-sized bubbles within the fuel grain, in micrometer-sized bubbles at the grain boundaries, and a fraction also precipitates in fuel pores, coming from fuel fabrication. A fraction of the gas can also be released into the plenum of the fuel rod. With increasing fission, and therefore burn-up, the ceramic fuel material experiences a transformation of its structure in the 'cooler' rim region of the fuel. A subdivision occurs of the original fuel grains of few microns size into thousands of small grains of sub-micron sizes. Additionally, larger pores are formed, which also leads into an increasing porosity in the fuel rim, called high burn-up structure. In this structure, only a small fraction of the fission gas remains in the matrix, the major quantity is said to accumulate in these pores. Because of this accumulation, the knowledge of the quantities of gas within these pores is of major interest in consideration to burn-up, fuel performance and especially for safety issues. In case of design based accidents, i.e. rapidly increasing temperature transients, the behavior of the fuel has to be estimated. Various analytical techniques have been used to determine the Xe concentration in nuclear fuel samples. The capabilities of EPMA (Electron Probe Micro-Analyser) and SIMS (Secondary Ion Mass Spectrometry) have been studied and provided some qualitative information, which has been used for determining Xe-matrix concentrations. First approaches combining these two techniques to estimate pore pressures have been recently reported. However

  13. Development of a method for xenon determination in the microstructure of high burn-up nuclear fuel[Dissertation 17527

    Energy Technology Data Exchange (ETDEWEB)

    Horvath, M. I

    2008-07-01

    In nuclear fuel, in approximately one quarter of the fissions, one of the two formed fission products is gaseous. These are mainly the noble gases xenon and krypton with isotopes of xenon contributing up to 90% of the product gases. These noble fission gases do not combine with other species, and have a low solubility in the normally used uranium oxide matrix. They can be dissolved in the fuel matrix or precipitate in nanometer-sized bubbles within the fuel grain, in micrometer-sized bubbles at the grain boundaries, and a fraction also precipitates in fuel pores, coming from fuel fabrication. A fraction of the gas can also be released into the plenum of the fuel rod. With increasing fission, and therefore burn-up, the ceramic fuel material experiences a transformation of its structure in the 'cooler' rim region of the fuel. A subdivision occurs of the original fuel grains of few microns size into thousands of small grains of sub-micron sizes. Additionally, larger pores are formed, which also leads into an increasing porosity in the fuel rim, called high burn-up structure. In this structure, only a small fraction of the fission gas remains in the matrix, the major quantity is said to accumulate in these pores. Because of this accumulation, the knowledge of the quantities of gas within these pores is of major interest in consideration to burn-up, fuel performance and especially for safety issues. In case of design based accidents, i.e. rapidly increasing temperature transients, the behavior of the fuel has to be estimated. Various analytical techniques have been used to determine the Xe concentration in nuclear fuel samples. The capabilities of EPMA (Electron Probe Micro-Analyser) and SIMS (Secondary Ion Mass Spectrometry) have been studied and provided some qualitative information, which has been used for determining Xe-matrix concentrations. First approaches combining these two techniques to estimate pore pressures have been recently reported. However

  14. A Feasibility Study to Determine Cooling Time and Burnup of ATR Fuel Using a Nondestructive Technique and Three Types of Gamma-ray Detectors

    Energy Technology Data Exchange (ETDEWEB)

    Jorge Navarro; Rahmat Aryaeinejad,; David W. Nigg

    2011-05-01

    A Feasibility Study to Determine Cooling Time and Burnup of ATR Fuel Using a Nondestructive Technique1 Rahmat Aryaeinejad, Jorge Navarro, and David W Nigg Idaho National Laboratory Abstract Effective and efficient Advanced Test Reactor (ATR) fuel management require state of the art core modeling tools. These new tools will need isotopic and burnup validation data before they are put into production. To create isotopic, burn up validation libraries and to determine the setup for permanent fuel scanner system a feasibility study was perform. The study consisted in measuring short and long cooling time fuel elements at the ATR canal. Three gamma spectroscopy detectors (HPGe, LaBr3, and HPXe) and two system configurations (above and under water) were used in the feasibility study. The first stage of the study was to investigate which detector and system configuration would be better suited for different scenarios. The second stage of the feasibility study was to create burnup and cooling time calibrations using experimental isotopic data collected and ORIGEN 2.2 burnup data. The results of the study establish that a better spectra resolution is achieve with an above the water configuration and that three detectors can be used in the permanent fuel scanner system for different situations. In addition it was conclude that a number of isotopic ratios and absolute measurements could be used to predict ATR fuel burnup and cooling times. 1This work was supported by the U.S. Depart¬ment of Energy (DOE) under Battelle Energy Alliance, LLC Contract No. DE-AC07-05ID14517.

  15. Determination of burnup grade of fuel plates by gamma spectrometry; Determinacao do grau de queima em elementos combustiveis tipo placa por meio de espectrometria gama

    Energy Technology Data Exchange (ETDEWEB)

    Terremoto, Luis A.A.; Zeituni, Carlos A.; Perrotta, Jose A. [Instituto de Pesquisas Energeticas e Nucleares (IPEN), Sao Paulo, SP (Brazil). Div. de Engenharia do Nucleo

    1999-11-01

    This work describes absolute burnup measurements on spent MTR fuel elements by means of non-destructive gamma-ray spectroscopy which correlates activities of radioactive fission products with the fissioned mass of {sup 235} U. Experiments based on such method were performed at the storage pool area of the IEA-R1 research reactor. The obtained results were compared with calculational ones based on neutronics. (author) 7 refs., 6 figs., 1 tab.; e-mail: laaterre at net.ipen.br

  16. Analysis of high burnup pressurized water reactor fuel using uranium, plutonium, neodymium, and cesium isotope correlations with burnup

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Jung Suk; Jeon, Young Shin; Park, Soon Dal; Ha, Yeong Keong; Song, Kyu Seok [Nuclear Chemistry Research Division, Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

    2015-12-15

    The correlation of the isotopic composition of uranium, plutonium, neodymium, and cesium with the burnup for high burnup pressurized water reactor fuels irradiated in nuclear power reactors has been experimentally investigated. The total burnup was determined by Nd-148 and the fractional {sup 235}U burnup was determined by U and Pu mass spectrometric methods. The isotopic compositions of U, Pu, Nd, and Cs after their separation from the irradiated fuel samples were measured using thermal ionization mass spectrometry. The contents of these elements in the irradiated fuel were determined through an isotope dilution mass spectrometric method using {sup 233}U, {sup 242}Pu, {sup 150}Nd, and {sup 133}Cs as spikes. The activity ratios of Cs isotopes in the fuel samples were determined using gamma-ray spectrometry. The content of each element and its isotopic compositions in the irradiated fuel were expressed by their correlation with the total and fractional burnup, burnup parameters, and the isotopic compositions of different elements. The results obtained from the experimental methods were compared with those calculated using the ORIGEN-S code.

  17. Calibration of burnup monitor in the Rokkasho reprocessing plant

    Energy Technology Data Exchange (ETDEWEB)

    Oheda, K.; Naito, H.; Hirota, M. [Japan Nuclear Fuel Ltd., Aomori (Japan); Natsume, K. [Toshiba Corp., Yokohama, Kawasaki, Kanagawa (Japan); Kumanomido, H. [Toshiba Corp., Kawasaki, Kanagawa (Japan)

    1998-07-01

    The Rokkasho Reprocessing Plant has adopted a credit for burnup in criticality control in the Spent Fuel Storage Facility (SFSF) and the Dissolution Facility. The burnup monitor system, prepared for BWR and PWR type fuel assemblies, nondestructively measures the burnup value and determines the residual U-235 enrichment in a spent fuel assembly, and criticality is controlled by the value of residual U-235 enrichment in SFSF and by the value of top 50 cm average burnup in the Dissolution Facility. The burnup monitor consists of three measurement systems; a Boss gamma-ray profile measurement system, a high resolution gamma-ray spectrometry system, and a passive neutron measurement system. The monitor sensitivity is calibrated against operator-declared burnup values through repetitive measurements of 100 spent fuel assemblies: BWR 8 X 8, PWR 14 X 14. and 17 X 17. The outline of the measurement methods, objectives of the calibration, actual calibration method, and an example of calibration performed in a demonstration experiment are presented. (author)

  18. Power excursion analysis for BWR`s at high burnup

    Energy Technology Data Exchange (ETDEWEB)

    Diamond, D.J.; Neymoith, L.; Kohut, P. [Brookhaven National Lab., Upton, NY (United States)

    1996-03-01

    A study has been undertaken to determine the fuel enthalpy during a rod drop accident and during two thermal-hydraulic transients. The objective was to understand the consequences to high burnup fuel and the sources of uncertainty in the calculations. The analysis was done with RAMONA-4B, a computer code that models the neutron kinetics throughout the core along with the thermal-hydraulics in the core, vessel, and steamline. The results showed that the maximum fuel enthalpy in high burnup fuel will be affected by core design, initial conditions, and modeling assumptions. The important parameters in each of these categories are discussed in the paper.

  19. Determining initial enrichment, burnup, and cooling time of pressurized-water-reactor spent fuel assemblies by analyzing passive gamma spectra measured at the Clab interim-fuel storage facility in Sweden

    Energy Technology Data Exchange (ETDEWEB)

    Favalli, A., E-mail: afavalli@lanl.gov [Los Alamos National Laboratory, Los Alamos, NM (United States); Vo, D. [Los Alamos National Laboratory, Los Alamos, NM (United States); Grogan, B. [Oak Ridge National Laboratory, Oak Ridge, TN (United States); Jansson, P. [Uppsala University, Uppsala (Sweden); Liljenfeldt, H. [Oak Ridge National Laboratory, Oak Ridge, TN (United States); Mozin, V. [Lawrence Livermore National Laboratory, Livermore, CA (United States); Schwalbach, P. [European Commission, DG Energy, Euratom Safeguards Luxemburg, Luxemburg (Luxembourg); Sjöland, A. [Swedish Nuclear Fuel and Waste Management Company, Stockholm (Sweden); Tobin, S.J.; Trellue, H. [Los Alamos National Laboratory, Los Alamos, NM (United States); Vaccaro, S. [European Commission, DG Energy, Euratom Safeguards Luxemburg, Luxemburg (Luxembourg)

    2016-06-01

    The purpose of the Next Generation Safeguards Initiative (NGSI)–Spent Fuel (SF) project is to strengthen the technical toolkit of safeguards inspectors and/or other interested parties. The NGSI–SF team is working to achieve the following technical goals more easily and efficiently than in the past using nondestructive assay measurements of spent fuel assemblies: (1) verify the initial enrichment, burnup, and cooling time of facility declaration; (2) detect the diversion or replacement of pins; (3) estimate the plutonium mass [which is also a function of the variables in (1)]; (4) estimate the decay heat; and (5) determine the reactivity of spent fuel assemblies. Since August 2013, a set of measurement campaigns has been conducted at the Central Interim Storage Facility for Spent Nuclear Fuel (Clab), in collaboration with Swedish Nuclear Fuel and Waste Management Company (SKB). One purpose of the measurement campaigns was to acquire passive gamma spectra with high-purity germanium and lanthanum bromide scintillation detectors from Pressurized Water Reactor and Boiling Water Reactor spent fuel assemblies. The absolute {sup 137}Cs count rate and the {sup 154}Eu/{sup 137}Cs, {sup 134}Cs/{sup 137}Cs, {sup 106}Ru/{sup 137}Cs, and {sup 144}Ce/{sup 137}Cs isotopic ratios were extracted; these values were used to construct corresponding model functions (which describe each measured quantity’s behavior over various combinations of burnup, cooling time, and initial enrichment) and then were used to determine those same quantities in each measured spent fuel assembly. The results obtained in comparison with the operator declared values, as well as the methodology developed, are discussed in detail in the paper.

  20. Determining initial enrichment, burnup, and cooling time of pressurized-water-reactor spent fuel assemblies by analyzing passive gamma spectra measured at the Clab interim-fuel storage facility in Sweden

    Science.gov (United States)

    Favalli, A.; Vo, D.; Grogan, B.; Jansson, P.; Liljenfeldt, H.; Mozin, V.; Schwalbach, P.; Sjöland, A.; Tobin, S. J.; Trellue, H.; Vaccaro, S.

    2016-06-01

    The purpose of the Next Generation Safeguards Initiative (NGSI)-Spent Fuel (SF) project is to strengthen the technical toolkit of safeguards inspectors and/or other interested parties. The NGSI-SF team is working to achieve the following technical goals more easily and efficiently than in the past using nondestructive assay measurements of spent fuel assemblies: (1) verify the initial enrichment, burnup, and cooling time of facility declaration; (2) detect the diversion or replacement of pins; (3) estimate the plutonium mass [which is also a function of the variables in (1)]; (4) estimate the decay heat; and (5) determine the reactivity of spent fuel assemblies. Since August 2013, a set of measurement campaigns has been conducted at the Central Interim Storage Facility for Spent Nuclear Fuel (Clab), in collaboration with Swedish Nuclear Fuel and Waste Management Company (SKB). One purpose of the measurement campaigns was to acquire passive gamma spectra with high-purity germanium and lanthanum bromide scintillation detectors from Pressurized Water Reactor and Boiling Water Reactor spent fuel assemblies. The absolute 137Cs count rate and the 154Eu/137Cs, 134Cs/137Cs, 106Ru/137Cs, and 144Ce/137Cs isotopic ratios were extracted; these values were used to construct corresponding model functions (which describe each measured quantity's behavior over various combinations of burnup, cooling time, and initial enrichment) and then were used to determine those same quantities in each measured spent fuel assembly. The results obtained in comparison with the operator declared values, as well as the methodology developed, are discussed in detail in the paper.

  1. Determination of plutonium content in high burnup pressurized water reactor fuel samples and its use for isotope correlations for isotopic composition of plutonium.

    Science.gov (United States)

    Joe, Kihsoo; Jeon, Young-Shin; Han, Sun-Ho; Lee, Chang-Heon; Ha, Yeong-Keong; Song, Kyuseok

    2012-06-01

    The content of plutonium isotopes in high burnup pressurized water reactor fuel samples was examined using both alpha spectrometry and mass spectrometry after anion exchange separation. The measured values were compared with results calculated by the ORIGEN-2 code. On average, the ratios (m/c) of the measured values (m) over the calculated values (c) were 1.22±0.16 for (238)Pu, 1.02±0.14 for (239)Pu, 1.08±0.06 for (240)Pu, 1.06±0.16 for (241)Pu, and 1.13±0.08 for (242)Pu. Using the Pu data obtained in this work, correlations were derived between the alpha activity ratios of (238)Pu/((239)Pu+(240)Pu), the alpha specific activities of Pu, and the atom % abundances of the Pu isotopes. Using these correlations, the atom % abundances of the plutonium isotopes in the target samples were calculated. These calculated results agreed within a range from 2 to 8% of the experimentally derived values according to the isotopes of plutonium.

  2. Calibration of burnup monitor installed in Rokkasho Reprocessing Plant

    Energy Technology Data Exchange (ETDEWEB)

    Oeda, Kaoru; Naito, Hirofumi; Hirota, Masanari [Japan Nuclear Fuel Co. Ltd., Rokkasho, Aomori (Japan); Natsume, Koichiro [Isogo Engineering Center, Toshiba Corporation, Yokohama, Kanagawa (Japan); Kumanomido, Hironori [Nuclear Engineering Laboratory, Toshiba Corporation, Kawasaki, Kanagawa (Japan)

    2000-06-01

    Rokkasho Reprocessing Plant uses burnup credit for criticality control at the Spent Fuel Storage Facility (SFSF) and the Dissolution Facility. A burnup monitor measures nondestructively burnup value of a spent fuel assembly and guarantees the credit for burnup. For practical reasons, a standard radiation source is not used in calibration of the burnup monitor, but the burnup values of many spent fuel assemblies are measured based on operator-declared burnup values. This paper describes the concept of burnup credit, the burnup monitor, and the calibration method. It is concluded, from the results of calibration tests, that the calibration method is valid. (author)

  3. Analysis of high burnup fuel safety issues

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Chan Bock; Kim, D. H.; Bang, J. G.; Kim, Y. M.; Yang, Y. S.; Jung, Y. H.; Jeong, Y. H.; Nam, C.; Baik, J. H.; Song, K. W.; Kim, K. S

    2000-12-01

    Safety issues in steady state and transient behavior of high burnup LWR fuel above 50 - 60 MWD/kgU were analyzed. Effects of burnup extension upon fuel performance parameters was reviewed, and validity of both the fuel safety criteria and the performance analysis models which were based upon the lower burnup fuel test results was analyzed. It was found that further tests would be necessary in such areas as fuel failure and dispersion for RIA, and high temperature cladding corrosion and mechanical deformation for LOCA. Since domestic fuels have been irradiated in PWR up to burnup higher than 55 MWD/kgU-rod. avg., it can be said that Korea is in the same situation as the other countries in the high burnup fuel safety issues. Therefore, necessary research areas to be performed in Korea were derived. Considering that post-irradiation examination(PIE) for the domestic fuel of burnup higher than 30 MWD/kgU has not been done so far at all, it is primarily necessary to perform PIE for high burnup fuel, and then simulation tests for RIA and LOCA could be performed by using high burnup fuel specimens. For the areas which can not be performed in Korea, international cooperation will be helpful to obtain the test results. With those data base, safety of high burnup domestic fuels will be confirmed, current fuel safety criteria will be re-evaluated, and finally transient high burnup fuel behavior analysis technology will be developed through the fuel performance analysis code development.

  4. Effect of burn-up and high burn-up structure on spent nuclear fuel alteration

    Energy Technology Data Exchange (ETDEWEB)

    Clarens, F.; Gonzalez-Robles, E.; Gimenez, F. J.; Casas, I.; Pablo, J. de; Serrano, D.; Wegen, D.; Glatz, J. P.; Martinez-Esparza, A.

    2009-07-01

    In this report the results of the experimental work carried out within the collaboration project between ITU-ENRESA-UPC/CTM on spent fuel (SF) covering the period 2005-2007 were presented. Studies on both RN release (Fast Release Fraction and matrix dissolution rate) and secondary phase formation were carried out by static and flow through experiments. Experiments were focussed on the study of the effect of BU with two PWR SF irradiated in commercial reactors with mean burn-ups of 48 and 60 MWd/KgU and; the effect of High Burn-up Structure (HBS) using powdered samples prepared from different radial positions. Additionally, two synthetic leaching solutions, bicarbonate and granitic bentonite ground wa ter were used. Higher releases were determined for RN from SF samples prepared from the center in comparison with the fuel from the periphery. However, within the studied range, no BU effect was observed. After one year of contact time, secondary phases were observed in batch experiments, covering the SF surface. Part of the work was performed for the Project NF-PRO of the European Commission 6th Framework Programme under contract no 2389. (Author)

  5. Technical Development on Burn-up Credit for Spent LWR Fuel

    Energy Technology Data Exchange (ETDEWEB)

    Gauld, I.C.

    2001-12-26

    Technical development on burn-up credit for spent LWR fuels had been performed at JAERI since 1990 under the contract with Science and Technology Agency of Japan entitled ''Technical Development on Criticality Safety Management for Spent LWR Fuels.'' Main purposes of this work are to obtain the experimental data on criticality properties and isotopic compositions of spent LWR fuels and to verify burnup and criticality calculation codes. In this work three major experiments of exponential experiments for spent fuel assemblies to obtain criticality data, non-destructive gamma-ray measurement of spent fuel rods for evaluating axial burn-up profiles, and destructive analyses of spent fuel samples for determining precise burn-up and isotopic compositions were carried out. The measured data obtained were used for validating calculation codes as well as an examination of criticality safety analyses. Details of the work are described in this report.

  6. Technical development on burn-up credit for spent LWR fuels

    Energy Technology Data Exchange (ETDEWEB)

    Nakahara, Yoshinori; Suyama, Kenya; Suzaki, Takenori [eds.] [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment

    2000-10-01

    Technical development on burn-up credit for spent LWR fuels had been performed at JAERI since 1990 under the contract with Science and Technology Agency of Japan entitled 'Technical Development on Criticality Safety Management for Spent LWR Fuels'. Main purposes of this work are to obtain the experimental data on criticality properties and isotopic compositions of spent LWR fuels and to verify burn-up and criticality calculation codes. In this work three major experiments of exponential experiments for spent fuel assemblies to obtain criticality data, non-destructive gamma-ray measurement of spent fuel rods for evaluating axial burn-up profiles, and destructive analyses of spent fuel samples for determining precise burn-up and isotopic compositions were carried out. The measured data obtained were used for validating calculation codes as well as an examination of criticality safety analyses. Details of the work are described in this report. (author)

  7. Thermodynamic analysis for high burn-up fuel internal chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Fuji, Kensho; Kyoh, Bunkei [Kinki Univ., Higashi-Osaka, Osaka (Japan). Faculty of Science and Technology

    1997-09-01

    Chemical states of fission products and actinide elements in high burn-up LWR fuel pellets have been analyzed thermodynamically using the computer program SOLGASMIX-PV. Calculations with this computer code have been performed for a complex multi-component system, which comprises 54 chemical species. The analysis shows that neither alkali nor alkaline-earth uranates are formed, but alkali and alkaline-earth molybdates exist in irradiated LWR fuel pellets in contrast with their post irradiation examinations. These molybdates tend to increase with increasing oxygen potential in the fuel under operating conditions, whereas the zirconates decrease. (author)

  8. Topical Report on Actinide-Only Burnup Credit for PWR Spent Nuclear Fuel Packages. Revision 2

    Energy Technology Data Exchange (ETDEWEB)

    None, None

    1998-09-01

    review process for these SNF storage and transportation cask applications. The DOE will also reference NRC-accepted topical reports in its license application for a geologic repository. DOE is requesting NRC acceptance for two general aspects of the actinide-only burnup credit methodology. First, data is sufficient to validate the burnup credit criticality analysis methodology presented in this topical report. This includes the chemical assay data used to validate the spent fuel isotopic concentration calculations and critical experiments used to validate the burnup credit criticality calculations. Second, the conservative methodology in utilizing this data for burnup credit is acceptable. A detailed breakdown of what the DOE is specifically seeking NRC acceptance of is presented in Section 1.6.

  9. Investigation on using neutron counting techniques for online burnup monitoring of pebble bed reactor fuels

    Science.gov (United States)

    Zhao, Zhongxiang

    Modular Pebble Bed Reactor (MPBR) is a high temperature gas-cooled nuclear power reactor. This project investigated the feasibility of using the passive neutron counting and active neutron/gamma counting for the on line fuel burnup measurement for MPBR. To investigate whether there is a correlation between neutron emission and fuel burnup, the MPBR fuel depletion was simulated under different irradiation conditions by ORIGEN2. It was found that the neutron emission from an irradiated pebble increases with burnup super-linearly and reaches to 104 neutron/sec/pebble at the discharge burnup. The photon emission from an irradiated pebble was found to be in the order of 1013 photon/sec/pebble at all burnup levels. Analysis shows that the neutron emission rate of an irradiated pebble is sensitive to its burnup history and the spectral-averaged one-group cross sections used in the depletion calculations, which consequently leads to large uncertainty in the correlation between neutron emission and burnup. At low burnup levels, the uncertainty in the neutron emission/burnup correlation is too high and the neutron emission rate is too low so that it is impossible to determine a pebble's burnup by on-line neutron counting at low burnup levels. At high burnup levels, the uncertainty in the neutron emission rate becomes less but is still large in quantity. However, considering the super-linear feature of the correlation, the uncertainty in burnup determination was found to be ˜7% at the discharge burnup, which is acceptable. Therefore, total neutron emission rate of a pebble can be used as a burnup indicator to determine whether a pebble should be discharged or not. The feasibility of using passive neutron counting methods for the on-line burnup measurement was investigated by using a general Monte Carlo code, MCNP, to assess the detectability of the neutron emission and the capability to discriminate gamma noise by commonly used neutron detectors. It was found that both He-3

  10. ATR PDQ and MCWO Fuel Burnup Analysis Codes Evaluation

    Energy Technology Data Exchange (ETDEWEB)

    G.S. Chang; P. A. Roth; M. A. Lillo

    2009-11-01

    The Advanced Test Reactor (ATR) at the Idaho National Laboratory (INL) is being studied to determine the feasibility of converting it from the highly enriched Uranium (HEU) fuel that is currently uses to low enriched Uranium (LEU) fuel. In order to achieve this goal, it would be best to qualify some different computational methods than those that have been used at ATR for the past 40 years. This paper discusses two methods of calculating the burnup of ATR fuel elements. The existing method, that uses the PDQ code, is compared to a modern method that uses A General Monte Carlo N-Particle Transport Code (MCNP) combined with the Origen2.2 code. This modern method, MCNP with ORIGEN2.2 (MCWO), is found to give excellent agreement with the existing method (PDQ). Both of MCWO and PDQ are also in a very good agreement to the 235U burnup data generated by an analytical method.

  11. Protein Structure Determination Using Chemical Shifts

    DEFF Research Database (Denmark)

    Christensen, Anders Steen

    In this thesis, a protein structure determination using chemical shifts is presented. The method is implemented in the open source PHAISTOS protein simulation framework. The method combines sampling from a generative model with a coarse-grained force field and an energy function that includes...... chemical shifts. The method is benchmarked on folding simulations of five small proteins. In four cases the resulting structures are in excellent agreement with experimental data, the fifth case fail likely due to inaccuracies in the energy function. For the Chymotrypsin Inhibitor protein, a structure...... is determined using only chemical shifts recorded and assigned through automated processes. The CARMSD to the experimental X-ray for this structure is 1.1. Å. Additionally, the method is combined with very sparse NOE-restraints and evolutionary distance restraints and tested on several protein structures >100...

  12. New burnup calculation of TRIGA IPR-R1 reactor

    Energy Technology Data Exchange (ETDEWEB)

    Meireles, Sincler P. de; Campolina, Daniel de A.M.; Santos, Andre A. Campagnole dos; Menezes, Maria A.B.C.; Mesquita, Amir Z., E-mail: sinclercdtn@hotmail.com.br [Centro de Desenvolvimento da Tecnologia Nuclear (CDTN/CNEN-MG), Belo Horizonte, MG (Brazil)

    2015-07-01

    The IPR-R1 TRIGA Mark I research reactor, located at the Nuclear Technology Development Center - CDTN, Belo Horizonte, Brazil, operates since 1960.The reactor is operating for more than fifty years and has a long history of operation. Determining the current composition of the fuel is very important to calculate various parameters. The reactor burnup calculation has been performed before, however, new techniques, methods, software and increase of the processing capacity of the new computers motivates new investigations to be performed. This work presents the evolution of effective multiplication constant and the results of burnup. This new model has a more detailed geometry with the introduction of the new devices, like the control rods and the samarium discs. This increase of materials in the simulation in burnup calculation was very important for results. For these series of simulations a more recently cross section library, ENDF/B-VII, was used. To perform the calculations two Monte Carlo particle transport code were used: Serpent and MCNPX. The results obtained from two codes are presented and compared with previous studies in the literature. (author)

  13. Topical report on actinide-only burnup credit for PWR spent nuclear fuel packages. Revision 1

    Energy Technology Data Exchange (ETDEWEB)

    None, None

    1997-04-01

    A methodology for performing and applying nuclear criticality safety calculations, for PWR spent nuclear fuel (SNF) packages with actinide-only burnup credit, is described. The changes in the U-234, U-235, U-236, U-238, Pu-238, Pu-239, Pu-240, Pu-241, Pu-242, and Am-241 concentration with burnup are used in burnup credit criticality analyses. No credit for fission product neutron absorbers is taken. The methodology consists of five major steps. (1) Validate a computer code system to calculate isotopic concentrations of SNF created during burnup in the reactor core and subsequent decay. A set of chemical assay benchmarks is presented for this purpose as well as a method for assessing the calculational bias and uncertainty, and conservative correction factors for each isotope. (2) Validate a computer code system to predict the subcritical multiplication factor, k{sub eff}, of a spent nuclear fuel package. Fifty-seven UO{sub 2}, UO{sub 2}/Gd{sub 2}O{sub 3}, and UO{sub 2}/PuO{sub 2} critical experiments have been selected to cover anticipated conditions of SNF. The method uses an upper safety limit on k{sub eff} (which can be a function of the trending parameters) such that the biased k{sub eff}, when increased for the uncertainty is less than 0.95. (3) Establish bounding conditions for the isotopic concentration and criticality calculations. Three bounding axial profiles have been established to assure the ''end effect'' is accounted for conservatively. (4) Use the validated codes and bounding conditions to generate package loading criteria (burnup credit loading curves). Burnup credit loading curves show the minimum burnup required for a given initial enrichment. The utility burnup record is compared to this requirement after the utility accounts for the uncertainty in its record. Separate curves may be generated for each assembly design, various minimum cooling times and burnable absorber histories. (5) Verify that SNF assemblies meet the package

  14. Integrated burnup calculation code system SWAT

    Energy Technology Data Exchange (ETDEWEB)

    Suyama, Kenya; Hirakawa, Naohiro [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment; Iwasaki, Tomohiko

    1997-11-01

    SWAT is an integrated burnup code system developed for analysis of post irradiation examination, transmutation of radioactive waste, and burnup credit problem. It enables us to analyze the burnup problem using neutron spectrum depending on environment of irradiation, combining SRAC which is Japanese standard thermal reactor analysis code system and ORIGEN2 which is burnup code widely used all over the world. SWAT makes effective cross section library based on results by SRAC, and performs the burnup analysis with ORIGEN2 using that library. SRAC and ORIGEN2 can be called as external module. SWAT has original cross section library on based JENDL-3.2 and libraries of fission yield and decay data prepared from JNDC FP Library second version. Using these libraries, user can use latest data in the calculation of SWAT besides the effective cross section prepared by SRAC. Also, User can make original ORIGEN2 library using the output file of SWAT. This report presents concept and user`s manual of SWAT. (author)

  15. ISOTOPIC MODEL FOR COMMERCIAL SNF BURNUP CREDIT

    Energy Technology Data Exchange (ETDEWEB)

    A.H. Wells

    2004-11-17

    The purpose of this report is to demonstrate a process for selecting bounding depletion parameters, show that they are conservative for pressurized water reactor (PWR) and boiling water reactor (BWR) spent nuclear fuel (SNF), and establish the range of burnup for which the parameters are conservative. The general range of applicability is for commercial light water reactor (LWR) SNF with initial enrichments between 2.0 and 5.0 weight percent {sup 235}U and burnups between 10 and 50 gigawatt-day per metric ton of uranium (GWd/MTU).

  16. Extended calculations of OECD/NEA phase II-C burnup credit criticality benchmark problem for PWR spent fuel transport cask by using MCNP-4B2 code and JENDL-3.2 library

    Energy Technology Data Exchange (ETDEWEB)

    Kuroishi, Takeshi; Hoang, Anh Tuan; Nomura, Yasushi; Okuno, Hiroshi [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment

    2003-03-01

    The reactivity effect of the asymmetry of axial burnup profile in burnup credit criticality safety is studied for a realistic PWR spent fuel transport cask proposed in the current OECD/NEA Phase II-C benchmark problem. The axial burnup profiles are simulated in 21 material zones based on in-core flux measurements varying from strong asymmetry to more or less no asymmetry. Criticality calculations in a 3-D model have been performed using the continuous energy Monte Carlo code MCNP-4B2 and the nuclear data library JENDL-3.2. Calculation conditions are determined with consideration of the axial fission source convergence. Calculations are carried out not only for cases proposed in the benchmark but also for additional cases assuming symmetric burnup profile. The actinide-only approach supposed for first domestic introduction of burnup credit into criticality evaluation is also considered in addition to the actinide plus fission product approach adopted in the benchmark. The calculated results show that k{sub eff} and the end effect increase almost linearly with increasing burnup axial offset that is defined as one of typical parameters showing the intensity of axial burnup asymmetry. The end effect is more sensitive to the asymmetry of burnup profile for the higher burnup. For an axially distributed burnup, the axial fission source distribution becomes strongly asymmetric as its peak shifts toward the top end of the fuel's active zone where the local burnup is less than that of the bottom end. The peak of fission source distribution becomes higher with the increase of either the asymmetry of burnup profile or the assembly-averaged burnup. The conservatism of the assumption of uniform axial burnup based on the actinide-only approach is estimated quantitatively in comparison with the k{sub eff} result calculated with experiment-based strongest asymmetric axial burnup profile with the actinide plus fission product approach. (author)

  17. A criticality analysis of the GBC-32 dry storage cask with Hanbit nuclear power plant unit 3 fuel assemblies from the viewpoint of burnup credit

    Energy Technology Data Exchange (ETDEWEB)

    Yun, Hyung Ju; Kim, Do Yeon; Park, Kwang Heon; Hong, Ser Gi [Dept. of Nuclear Engineering, Kyung Hee University, Seoul (Korea, Republic of)

    2016-06-15

    Nuclear criticality safety analyses (NCSAs) considering burnup credit were performed for the GBC-32 cask. The used nuclear fuel assemblies (UNFAs) discharged from Hanbit Nuclear Power Plant Unit 3 Cycle 6 were loaded into the cask. Their axial burnup distributions and average discharge burnups were evaluated using the DeCART and Multi-purpose Analyzer for Static and Transient Effects of Reactors (MASTER) codes, and NCSAs were performed using SCALE 6.1/STandardized Analysis of Reactivity for Burnup Credit using SCALE (STARBUCS) and Monte Carlo N-Particle transport code, version 6 (MCNP 6). The axial burnup distributions were determined for 20 UNFAs with various initial enrichments and burnups, which were applied to the criticality analysis for the cask system. The UNFAs for 20- and 30-year cooling times were assumed to be stored in the cask. The criticality analyses indicated that keff values for UNFAs with nonuniform axial burnup distributions were larger than those with a uniform distribution, that is, the end effects were positive but much smaller than those with the reference distribution. The axial burnup distributions for 20 UNFAs had shapes that were more symmetrical with a less steep gradient in the upper region than the reference ones of the United States Department of Energy. These differences in the axial burnup distributions resulted in a significant reduction in end effects compared with the reference.

  18. A PWR Thorium Pin Cell Burnup Benchmark

    Energy Technology Data Exchange (ETDEWEB)

    Weaver, Kevan Dean; Zhao, X.; Pilat, E. E; Hejzlar, P.

    2000-05-01

    As part of work to evaluate the potential benefits of using thorium in LWR fuel, a thorium fueled benchmark comparison was made in this study between state-of-the-art codes, MOCUP (MCNP4B + ORIGEN2), and CASMO-4 for burnup calculations. The MOCUP runs were done individually at MIT and INEEL, using the same model but with some differences in techniques and cross section libraries. Eigenvalue and isotope concentrations were compared on a PWR pin cell model up to high burnup. The eigenvalue comparison as a function of burnup is good: the maximum difference is within 2% and the average absolute difference less than 1%. The isotope concentration comparisons are better than a set of MOX fuel benchmarks and comparable to a set of uranium fuel benchmarks reported in the literature. The actinide and fission product data sources used in the MOCUP burnup calculations for a typical thorium fuel are documented. Reasons for code vs code differences are analyzed and discussed.

  19. Technical Basis for Peak Reactivity Burnup Credit for BWR Spent Nuclear Fuel in Storage and Transportation Systems

    Energy Technology Data Exchange (ETDEWEB)

    Marshall, William BJ J [ORNL; Ade, Brian J [ORNL; Bowman, Stephen M [ORNL; Gauld, Ian C [ORNL; Ilas, Germina [ORNL; Mertyurek, Ugur [ORNL; Radulescu, Georgeta [ORNL

    2015-01-01

    Oak Ridge National Laboratory and the United States Nuclear Regulatory Commission have initiated a multiyear project to investigate application of burnup credit for boiling-water reactor (BWR) fuel in storage and transportation casks. This project includes two phases. The first phase (1) investigates applicability of peak reactivity methods currently used in spent fuel pools (SFPs) to storage and transportation systems and (2) evaluates validation of both reactivity (keff) calculations and burnup credit nuclide concentrations within these methods. The second phase will focus on extending burnup credit beyond peak reactivity. This paper documents the first phase, including an analysis of lattice design parameters and depletion effects, as well as both validation components. Initial efforts related to extended burnup credit are discussed in a companion paper. Peak reactivity analyses have been used in criticality analyses for licensing of BWR fuel in SFPs over the last 20 years. These analyses typically combine credit for the gadolinium burnable absorber present in the fuel with a modest amount of burnup credit. Gadolinium burnable absorbers are used in BWR assemblies to control core reactivity. The burnable absorber significantly reduces assembly reactivity at beginning of life, potentially leading to significant increases in assembly reactivity for burnups less than 15–20 GWd/MTU. The reactivity of each fuel lattice is dependent on gadolinium loading. The number of gadolinium-bearing fuel pins lowers initial lattice reactivity, but it has a small impact on the burnup and reactivity of the peak. The gadolinium concentration in each pin has a small impact on initial lattice reactivity but a significant effect on the reactivity of the peak and the burnup at which the peak occurs. The importance of the lattice parameters and depletion conditions are primarily determined by their impact on the gadolinium depletion. Criticality code validation for BWR burnup

  20. Sensitivity and parametric evaluations of significant aspects of burnup credit for PWR spent fuel packages

    Energy Technology Data Exchange (ETDEWEB)

    DeHart, M.D.

    1996-05-01

    Spent fuel transportation and storage cask designs based on a burnup credit approach must consider issues that are not relevant in casks designed under a fresh-fuel loading assumption. For example, the spent fuel composition must be adequately characterized and the criticality analysis model can be complicated by the need to consider axial burnup variations. Parametric analyses are needed to characterize the importance of fuel assembly and fuel cycle parameters on spent fuel composition and reactivity. Numerical models must be evaluated to determine the sensitivity of criticality safety calculations to modeling assumptions. The purpose of this report is to describe analyses and evaluations performed in order to demonstrate the effect physical parameters and modeling assumptions have on the criticality analysis of spent fuel. The analyses in this report include determination and ranking of the most important actinides and fission products; study of the effect of various depletion scenarios on subsequent criticality calculations; establishment of trends in neutron multiplication as a function of fuel enrichment, burnup, cooling time- and a parametric and modeling evaluation of three-dimensional effects (e.g., axially varying burnup and temperature/density effects) in a conceptual cask design. The sensitivity and parametric evaluations were performed with the consideration of two different burnup credit approaches: (1) only actinides in the fuel are considered in the criticality analysis, and (2) both actinides and fission products are considered. Calculations described in this report were performed using the criticality and depletion sequences available in the SCALE code system and the SCALE 27-group burnup library. Although the results described herein do not constitute a validation of SCALE for use in spent fuel analysis, independent validation efforts have been completed and are described in other reports.

  1. High burnup effects in WWER fuel rods

    Energy Technology Data Exchange (ETDEWEB)

    Smirnov, V.; Smirnov, A. [RRC Research Institute of Atomic Reactors, Dimitrovqrad (Russian Federation)

    1996-03-01

    Since 1987 at the Research Institute of Atomic Reactors, the examinations of the WWER spent fuel assemblies has been carried out. These investigations are aimed to gain information on WWER spent fuel conditions in order to validate the fuel assemblies use during the 3 and 4 year fuel cycle in the WWER-440 and WWER-1000 units. At present time, the aim is to reach an average fuel burnup of 55 MWd/kgU. According to this aim, a new investigation program on the WWER spent fuel elements is started. The main objectives of this program are to study the high burnup effects and their influence on the WWER fuel properties. This paper presented the main statistical values of the WWER-440 and WWER-1000 reactors` fuel assemblies and their fragment parameters. Average burnup of fuel in the investigated fuel assemblies was in the range of 13 to 49.7 MWd/kgU. In this case, the numer of fuel cycles was from 1 to 4 during operation of the fuel assemblies.

  2. Effect of Control Blade History, and Axial Coolant Density and Burnup Profiles on BWR Burnup Credit

    Energy Technology Data Exchange (ETDEWEB)

    Marshall, William BJ J [ORNL

    2016-01-01

    A technical basis for peak reactivity boiling water reactor (BWR) burnup credit (BUC) methods was recently generated, and the technical basis for extended BWR BUC is now being developed. In this paper, a number of effects related to extended BWR BUC are analyzed, including three major operational effects in BWRs: the coolant density axial distribution, the use of control blades during operation, and the axial burnup profile. Specifically, uniform axial moderator density profiles are analyzed and compared to previous results and an additional temporal fidelity study combing moderator density profiles for three different fuel assemblies is presented. Realistic control blade histories and cask criticality results are compared to previously generated constructed control blade histories. Finally, a preliminary study of the axial burnup profile is provided.

  3. Radiochemical Assays of Irradiated VVER-440 Fuel for Use in Spent Fuel Burnup Credit Activities

    Energy Technology Data Exchange (ETDEWEB)

    Jardine, L J

    2005-04-25

    The objective of this spent fuel burnup credit work was to study and describe a VVER-440 reactor spent fuel assembly (FA) initial state before irradiation, its operational irradiation history and the resulting radionuclide distribution in the fuel assembly after irradiation. This work includes the following stages: (1) to pick out and select a specific spent (irradiated) FA for examination; (2) to describe the FA initial state before irradiation; (3) to describe the irradiation history, including thermal calculations; (4) to examine the burnup distribution of select radionuclides along the FA height and cross-section; (5) to examine the radionuclide distributions; (6) to determine the Kr-85 release into the plenum; (7) to select and prepare FA rod specimens for destructive examinations; (8) to determine the radionuclide compositions, isotope masses and burnup in the rod specimens; and (9) to analyze, document and process the results. The specific workscope included the destructive assay (DA) of spent fuel assembly rod segments with an {approx}38.5 MWd/KgU burnup from a single VVER-440 fuel assembly from the Novovorenezh reactor in Russia. Based on irradiation history criteria, four rods from the fuel assembly were selected and removed from the assembly for examination. Next, 8 sections were cut from the four rods and sent for destructive analysis of radionuclides by radiochemical analyses. The results were documented in a series of seven reports over a period of {approx}1 1/2 years.

  4. Analysis of Corrosion Residues Collected from the Aluminum Basket Rails of the High-Burnup Demonstration Cask.

    Energy Technology Data Exchange (ETDEWEB)

    Bryan, Charles R. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2017-03-01

    On September, 2015, an inspection was performed on the TN-32B cask that will be used for the high-burnup demonstration project. During the survey, wooden cribbing that had been placed within the cask eleven years earlier to prevent shifting of the basket during transport was removed, revealing two areas of residue on the aluminum basket rails, where they had contacted the cribbing. The residue appeared to be a corrosion product, and concerns were raised that similar attack could exist at more difficult-to-inspect locations in the canister. Accordingly, when the canister was reopened, samples of the residue were collected for analysis. This report presents the results of that assessment, which determined that the corrosion was due to the presence of the cribbing. The corrosion was associated with fungal material, and fungal activity likely contributed to an aggressive chemical environment. Once the cask has been cleaned, there will be no risk of further corrosion.

  5. Determination of electroless deposition by chemical nickeling

    Directory of Open Access Journals (Sweden)

    M. Badida

    2013-07-01

    Full Text Available Increasing of technical level and reliability of machine products in compliance with the economical and ecological terms belongs to the main trends of the industrial development. During the utilisation of these products there arise their each other contacts and the interaction with the environment. That is the reason for their surface degradation by wear effect, corrosion and other influences. The chemical nickel-plating allows autocatalytic deposition of nickel from water solutions in the form of coherent, technically very profitable coating without usage of external source of electric current. The research was aimed at evaluating the surface changes after chemical nickel-plating at various changes of technological parameters.

  6. 78 FR 55326 - Determinations Regarding Use of Chemical Weapons in Syria Under the Chemical and Biological...

    Science.gov (United States)

    2013-09-10

    ... Determinations Regarding Use of Chemical Weapons in Syria Under the Chemical and Biological Weapons Control and..., 22 U.S.C. 5604(a), that the Government of Syria has used chemical weapons in violation of... Under Secretary of State for Political Affairs: (1) Determined that the Government of Syria has...

  7. The burnup dependence of light water reactor spent fuel oxidation

    Energy Technology Data Exchange (ETDEWEB)

    Hanson, B.D.

    1998-07-01

    Over the temperature range of interest for dry storage or for placement of spent fuel in a permanent repository under the conditions now being considered, UO{sub 2} is thermodynamically unstable with respect to oxidation to higher oxides. The multiple valence states of uranium allow for the accommodation of interstitial oxygen atoms in the fuel matrix. A variety of stoichiometric and nonstoichiometric phases is therefore possible as the fuel oxidizers from UO{sub 2} to higher oxides. The oxidation of UO{sub 2} has been studied extensively for over 40 years. It has been shown that spent fuel and unirradiated UO{sub 2} oxidize via different mechanisms and at different rates. The oxidation of LWR spent fuel from UO{sub 2} to UO{sub 2.4} was studied previously and is reasonably well understood. The study presented here was initiated to determine the mechanism and rate of oxidation from UO{sub 2.4} to higher oxides. During the early stages of this work, a large variability in the oxidation behavior of samples oxidized under nearly identical conditions was found. Based on previous work on the effect of dopants on UO{sub 2} oxidation and this initial variability, it was hypothesized that the substitution of fission product and actinide impurities for uranium atoms in the spent fuel matrix was the cause of the variable oxidation behavior. Since the impurity concentration is roughly proportional to the burnup of a specimen, the oxidation behavior of spent fuel was expected to be a function of both temperature and burnup. This report (1) summarizes the previous oxidation work for both unirradiated UO{sub 2} and spent fuel (Section 2.2) and presents the theoretical basis for the burnup (i.e., impurity concentration) dependence of the rate of oxidation (Sections 2.3, 2.4, and 2.5), (2) describes the experimental approach (Section 3) and results (Section 4) for the current oxidation tests on spent fuel, and (3) establishes a simple model to determine the activation energies

  8. Development of an MCNP-tally based burnup code and validation through PWR benchmark exercises

    Energy Technology Data Exchange (ETDEWEB)

    El Bakkari, B. [ERSN-LMR, Department of physics, Faculty of Sciences P.O.Box 2121, Tetuan (Morocco)], E-mail: bakkari@gmail.com; El Bardouni, T.; Merroun, O.; El Younoussi, Ch.; Boulaich, Y. [ERSN-LMR, Department of physics, Faculty of Sciences P.O.Box 2121, Tetuan (Morocco); Chakir, E. [EPTN-LPMR, Faculty of Sciences Kenitra (Morocco)

    2009-05-15

    The aim of this study is to evaluate the capabilities of a newly developed burnup code called BUCAL1. The code provides the full capabilities of the Monte Carlo code MCNP5, through the use of the MCNP tally information. BUCAL1 uses the fourth order Runge Kutta method with the predictor-corrector approach as the integration method to determine the fuel composition at a desired burnup step. Validation of BUCAL1 was done by code vs. code comparison. Results of two different kinds of codes are employed. The first one is CASMO-4, a deterministic multi-group two-dimensional transport code. The second kind is MCODE and MOCUP, a link MCNP-ORIGEN codes. These codes use different burnup algorithms to solve the depletion equations system. Eigenvalue and isotope concentrations were compared for two PWR uranium and thorium benchmark exercises at cold (300 K) and hot (900 K) conditions, respectively. The eigenvalue comparison between BUCAL1 and the aforementioned two kinds of codes shows a good prediction of the systems'k-inf values during the entire burnup history, and the maximum difference is within 2%. The differences between the BUCAL1 isotope concentrations and the predictions of CASMO-4, MCODE and MOCUP are generally better, and only for a few sets of isotopes these differences exceed 10%.

  9. Revised SWAT. The integrated burnup calculation code system

    Energy Technology Data Exchange (ETDEWEB)

    Suyama, Kenya; Mochizuki, Hiroki [Department of Fuel Cycle Safety Research, Nuclear Safety Research Center, Tokai Research Establishment, Japan Atomic Energy Research Institute, Tokai, Ibaraki (Japan); Kiyosumi, Takehide [The Japan Research Institute, Ltd., Tokyo (Japan)

    2000-07-01

    SWAT is an integrated burnup code system developed for analysis of post irradiation examination, transmutation of radioactive waste, and burnup credit problem. This report shows an outline and a user's manual of revised SWAT. This revised SWAT includes expansion of functions, increasing supported machines, and correction of several bugs reported from users of previous SWAT. (author)

  10. Mechanical Fatigue Testing of High Burnup Fuel for Transportation Applications

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Jy-An John [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Wang, Hong [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2015-05-01

    This report describes testing designed to determine the ability of high burnup (HBU) (>45 GWd/MTU) spent fuel to maintain its integrity under normal conditions of transportation. An innovative system, Cyclic Integrated Reversible-bending Fatigue Tester (CIRFT), has been developed at Oak Ridge National Laboratory (ORNL) to test and evaluate the mechanical behavior of spent nuclear fuel (SNF) under conditions relevant to storage and transportation. The CIRFT system is composed of a U-frame equipped with load cells for imposing the pure bending loads on the SNF rod test specimen and measuring the in-situ curvature of the fuel rod during bending using a set up with three linear variable differential transformers (LVDTs).

  11. Manufacturing Data Uncertainties Propagation Method in Burn-Up Problems

    Directory of Open Access Journals (Sweden)

    Thomas Frosio

    2017-01-01

    Full Text Available A nuclear data-based uncertainty propagation methodology is extended to enable propagation of manufacturing/technological data (TD uncertainties in a burn-up calculation problem, taking into account correlation terms between Boltzmann and Bateman terms. The methodology is applied to reactivity and power distributions in a Material Testing Reactor benchmark. Due to the inherent statistical behavior of manufacturing tolerances, Monte Carlo sampling method is used for determining output perturbations on integral quantities. A global sensitivity analysis (GSA is performed for each manufacturing parameter and allows identifying and ranking the influential parameters whose tolerances need to be better controlled. We show that the overall impact of some TD uncertainties, such as uranium enrichment, or fuel plate thickness, on the reactivity is negligible because the different core areas induce compensating effects on the global quantity. However, local quantities, such as power distributions, are strongly impacted by TD uncertainty propagations. For isotopic concentrations, no clear trends appear on the results.

  12. OECD/NEA Burnup Credit Calculational Criticality Benchmark Phase I-B Results

    Energy Technology Data Exchange (ETDEWEB)

    DeHart, M.D.

    1993-01-01

    Burnup credit is an ongoing technical concern for many countries that operate commercial nuclear power reactors. In a multinational cooperative effort to resolve burnup credit issues, a Burnup Credit Working Group has been formed under the auspices of the Nuclear Energy Agency of the Organization for Economic Cooperation and Development. This working group has established a set of well-defined calculational benchmarks designed to study significant aspects of burnup credit computational methods. These benchmarks are intended to provide a means for the intercomparison of computer codes, methods, and data applied in spent fuel analysis. The benchmarks have been divided into multiple phases, each phase focusing on a particular feature of burnup credit analysis. This report summarizes the results and findings of the Phase I-B benchmark, which was proposed to provide a comparison of the ability of different code systems and data libraries to perform depletion analysis for the prediction of spent fuel isotopic concentrations. Results included here represent 21 different sets of calculations submitted by 16 different organizations worldwide, and are based on a limited set of nuclides determined to have the most important effect on the neutron multiplication factor of light-water-reactor spent fuel. A comparison of all sets of results demonstrates that most methods are in agreement to within 10% in the ability to estimate the spent fuel concentrations of most actinides. All methods are within 11% agreement about the average for all fission products studied. Furthermore, most deviations are less than 10%, and many are less than 5%. The exceptions are {sup 149}Sm, {sup 151}Sm, and {sup 155}Gd.

  13. OECD/NEA burnup credit calculational criticality benchmark Phase I-B results

    Energy Technology Data Exchange (ETDEWEB)

    DeHart, M.D.; Parks, C.V. [Oak Ridge National Lab., TN (United States); Brady, M.C. [Sandia National Labs., Las Vegas, NV (United States)

    1996-06-01

    In most countries, criticality analysis of LWR fuel stored in racks and casks has assumed that the fuel is fresh with the maximum allowable initial enrichment. This assumption has led to the design of widely spaced and/or highly poisoned storage and transport arrays. If credit is assumed for fuel burnup, initial enrichment limitations can be raised in existing systems, and more compact and economical arrays can be designed. Such reliance on the reduced reactivity of spent fuel for criticality control is referred to as burnup credit. The Burnup Credit Working Group, formed under the auspices of the Nuclear Energy Agency of the Organization for Economic Cooperation and Development, has established a set of well-defined calculational benchmarks designed to study significant aspects of burnup credit computational methods. These benchmarks are intended to provide a means for the intercomparison of computer codes, methods, and data applied in spent fuel analysis. The benchmarks have been divided into multiple phases, each phase focusing on a particular feature of burnup credit analysis. This report summarizes the results and findings of the Phase I-B benchmark, which was proposed to provide a comparison of the ability of different code systems and data libraries to perform depletion analysis for the prediction of spent fuel isotopic concentrations. Results included here represent 21 different sets of calculations submitted by 16 different organizations worldwide and are based on a limited set of nuclides determined to have the most important effect on the neutron multiplication factor of light-water-reactor spent fuel. A comparison of all sets of results demonstrates that most methods agree to within 10% in the ability to estimate the spent fuel concentrations of most actinides. All methods agree within 11% about the average for all fission products studied. Most deviations are less than 10%, and many are less than 5%. The exceptions are Sm 149, Sm 151, and Gd 155.

  14. Assessment of reactivity transient experiments with high burnup fuel

    Energy Technology Data Exchange (ETDEWEB)

    Ozer, O.; Yang, R.L.; Rashid, Y.R.; Montgomery, R.O.

    1996-03-01

    A few recent experiments aimed at determining the response of high-burnup LWR fuel during a reactivity initiated accident (RIA) have raised concerns that existing failure criteria may be inappropriate for such fuel. In particular, three experiments (SPERT CDC-859, NSRR HBO-1 and CABRI REP Na-1) appear to have resulted in fuel failures at only a fraction of the anticipated enthalpy levels. In evaluating the results of such RIA simulation experiments, however, it is necessary that the following two key considerations be taken into account: (1) Are the experiments representative of conditions that LWR fuel would experience during an in-reactor RIA event? (2) Is the fuel that is being utilized in the tests representative of the present (or anticipated) population of LWR fuel? Conducting experiments under conditions that can not occur in-reactor can trigger response modes that could not take place during in-reactor operation. Similarly, using unrepresentative fuel samples for the tests will produce failure information that is of limited relevance to commercial LWR fuel. This is particularly important for high-burnup fuel since the manner under which the test samples are base-irradiated prior to the test will impact the mechanical properties of the cladding and will therefore affect the RIA response. A good example of this effect can be seen in the results of the SPERT CDC-859 test and in the NSRR JM-4 and JM-5 tests. The conditions under which the fuel used for these tests was fabricated and/or base-irradiated prior to the RIA pulse resulted in the formation of multiple cladding defects in the form of hydride blisters. When this fuel was subjected to the RIA power pulse, it failed by developing multiple cracks that were closely correlated with the locations of the pre-existing hydride blisters. In the case of the JM tests, many of the cracks formed within the blisters themselves and did not propagate beyond the heavily hydrided regions.

  15. Effect of Control Blade History, and Axial Coolant Density and Burnup Profiles on BWR Burnup Credit

    Energy Technology Data Exchange (ETDEWEB)

    Ade, Brian J [ORNL; Marshall, William BJ J [ORNL; Martinez-Gonzalez, Jesus S [ORNL

    2015-05-01

    Oak Ridge National Laboratory (ORNL) and the US Nuclear Regulatory Commission (NRC) have initiated a multiyear project to investigate the application of burnup credit (BUC) for boiling water reactor (BWR) fuel in storage and transportation systems (often referred to as casks) and spent fuel pools (SFPs). This work is divided into two main phases. The first phase investigated the applicability of peak reactivity methods currently used in SFPs to transportation and storage casks and the validation of reactivity calculations and spent fuel compositions within these methods. The second phase focuses on extending BUC beyond peak reactivity. This paper documents the analysis of the effects of control blade insertion history, and moderator density and burnup axial profiles for extended BWR BUC.

  16. A Simple Global View of Fuel Burnup

    Science.gov (United States)

    Sekimoto, Hiroshi

    2017-01-01

    Reactor physics and fuel burnup are discussed in order to obtain a simple global view of the effects of nuclear reactor characteristics to fuel cycle system performance. It may provide some idea of free thinking and overall vision, though it is still a small part of nuclear energy system. At the beginning of this lecture, governing equations for nuclear reactors are presented. Since the set of these equations is so big and complicated, it is simplified by imposing some extreme conditions and the nuclear equilibrium equation is derived. Some features of future nuclear equilibrium state are obtained by solving this equation. The contribution of a nucleus charged into reactor core to the system performance indexes such as criticality is worth for understanding the importance of each nuclide. It is called nuclide importance and can be evaluated by using the equations adjoint to the nuclear equilibrium equation. Examples of some importances and their application to criticalily search problem are presented.

  17. Evaluation technology for burnup and generated amount of plutonium by measurement of xenon isotopic ratio in dissolver off-gas at reprocessing facility (Joint research)

    OpenAIRE

    岡野 正紀; 久野 剛彦; 高橋 一朗; 白水 秀知; Charlton, W. S.; Wells, C. A.; Hemberger, P. H.; 山田 敬二; 酒井 敏雄

    2006-01-01

    The amount of Pu in the spent fuel was evaluated from Xe isotopic ratio in off-gas in reprocessing facility, is related to burnup. Six batches of dissolver off-gas at spent fuel dissolution process were sampled from the main stack in Tokai Reprocessing Plant during BWR fuel reprocessing campaign. Xenon isotopic ratio was determined with GC/MS. Burnup and generated amount of Pu were evaluated with Noble Gas Environmental Monitoring Application code (NOVA), developed by Los Alamos National Labo...

  18. Triton burnup measurements in KSTAR using a neutron activation system

    Science.gov (United States)

    Jo, Jungmin; Cheon, MunSeong; Kim, Jun Young; Rhee, T.; Kim, Junghee; Shi, Yue-Jiang; Isobe, M.; Ogawa, K.; Chung, Kyoung-Jae; Hwang, Y. S.

    2016-11-01

    Measurements of the time-integrated triton burnup for deuterium plasma in Korea Superconducting Tokamak Advanced Research (KSTAR) have been performed following the simultaneous detection of the d-d and d-t neutrons. The d-d neutrons were measured using a 3He proportional counter, fission chamber, and activated indium sample, whereas the d-t neutrons were detected using activated silicon and copper samples. The triton burnup ratio from KSTAR discharges is found to be in the range 0.01%-0.50% depending on the plasma conditions. The measured burnup ratio is compared with the prompt loss fraction of tritons calculated with the Lorentz orbit code and the classical slowing-down time. The burnup ratio is found to increase as plasma current and classical slowing-down time increase.

  19. Irradiation performance of PFBR MOX fuel after 112 GWd/t burn-up

    Science.gov (United States)

    Venkiteswaran, C. N.; Jayaraj, V. V.; Ojha, B. K.; Anandaraj, V.; Padalakshmi, M.; Vinodkumar, S.; Karthik, V.; Vijaykumar, Ran; Vijayaraghavan, A.; Divakar, R.; Johny, T.; Joseph, Jojo; Thirunavakkarasu, S.; Saravanan, T.; Philip, John; Rao, B. P. C.; Kasiviswanathan, K. V.; Jayakumar, T.

    2014-06-01

    The 500 MWe Prototype Fast Breeder Reactor (PFBR) which is in advanced stage of construction at Kalpakkam, India, will use mixed oxide (MOX) fuel with a target burnup of 100 GWd/t. The fuel pellet is of annular design to enable operation at a peak linear power of 450 W/cm with the requirement of minimum duration of pre-conditioning. The performance of the MOX fuel and the D9 clad and wrapper material was assessed through Post Irradiation Examinations (PIE) after test irradiation of 37 fuel pin subassembly in Fast Breeder Test Reactor (FBTR) to a burn-up of 112 GWd/t. Fission product distribution, swelling and fuel-clad gap evolution, central hole diameter variation, restructuring, fission gas release and clad wastage due to fuel-clad chemical interaction were evaluated through non-destructive and destructive examinations. The examinations have indicated that the MOX fuel can safely attain the desired target burn-up in PFBR.

  20. Quantification of the computational accuracy of code systems on the burn-up credit using experimental re-calculations; Quantifizierung der Rechengenauigkeit von Codesystemen zum Abbrandkredit durch Experimentnachrechnungen

    Energy Technology Data Exchange (ETDEWEB)

    Behler, Matthias; Hannstein, Volker; Kilger, Robert; Moser, Franz-Eberhard; Pfeiffer, Arndt; Stuke, Maik

    2014-06-15

    In order to account for the reactivity-reducing effect of burn-up in the criticality safety analysis for systems with irradiated nuclear fuel (''burnup credit''), numerical methods to determine the enrichment and burnup dependent nuclide inventory (''burnup code'') and its resulting multiplication factor k{sub eff} (''criticality code'') are applied. To allow for reliable conclusions, for both calculation systems the systematic deviations of the calculation results from the respective true values, the bias and its uncertainty, are being quantified by calculation and analysis of a sufficient number of suitable experiments. This quantification is specific for the application case under scope and is also called validation. GRS has developed a methodology to validate a calculation system for the application of burnup credit in the criticality safety analysis for irradiated fuel assemblies from pressurized water reactors. This methodology was demonstrated by applying the GRS home-built KENOREST burnup code and the criticality calculation sequence CSAS5 from SCALE code package. It comprises a bounding approach and alternatively a stochastic, which both have been exemplarily demonstrated by use of a generic spent fuel pool rack and a generic dry storage cask, respectively. Based on publicly available post irradiation examination and criticality experiments, currently the isotopes of uranium and plutonium elements can be regarded for.

  1. Oxygen potential in the rim region of high burnup UO 2 fuel

    Science.gov (United States)

    Matzke, Hj.

    1994-01-01

    Small specimens from the rim region (fuel surface) of a UO 2 fuel rod with an average burnup of 7.6% FIMA were analysed in a miniaturized galvanic cell to determine their oxygen potential Δ Ḡ(O 2) . These fuel pieces represented the porous rim structure with very small grains known to be formed near the periphery of high burnup UO 2 fuel pellets. The oxygen potential of the rim material was very low, corresponding to that of unirradiated stoichiometric UO 2, or to that of slightly substoichiometric UO 2 containing rare earth fission products. No indication of oxidation due to fission was found, though most fission was that of Pu. Measurements on pieces from the inner, unrestructured fuel showed somewhat higher oxygen potentials corresponding to those of very slightly substoichiometric fuel if allowance is made for the incorporation of rare earths. These results are in contrast to some generally accepted ideas of burnup effects, and the possible reasons and implications are discussed.

  2. Thermodynamic analysis for high burn-up fuel internal chemistry. 2

    Energy Technology Data Exchange (ETDEWEB)

    Fuji, Kensho; Kyoh, Bunkei [Kinki Univ., Higashi-Osaka, Osaka (Japan)

    1998-09-01

    Thermodynamic calculations with the computer program SOLGASMIX-PV have been performed for the chemical states expected in irradiated fast breeder reactor (FBR) fuels containing transuranium (TRU) elements. The analysis shows that A (alkali and alkaline-earth)-molybdates exist, but neither A-uranates nor A-zirconates are formed in FBR fuel pellets irradiated to high burn-up. And increase of oxygen potential in irradiated FBR fuel is ascribed to growing amount of rare earth, noble metal and TRU elements. (author)

  3. Strategies for Application of Isotopic Uncertainties in Burnup Credit

    Energy Technology Data Exchange (ETDEWEB)

    Gauld, I.C.

    2002-12-23

    Uncertainties in the predicted isotopic concentrations in spent nuclear fuel represent one of the largest sources of overall uncertainty in criticality calculations that use burnup credit. The methods used to propagate the uncertainties in the calculated nuclide concentrations to the uncertainty in the predicted neutron multiplication factor (k{sub eff}) of the system can have a significant effect on the uncertainty in the safety margin in criticality calculations and ultimately affect the potential capacity of spent fuel transport and storage casks employing burnup credit. Methods that can provide a more accurate and realistic estimate of the uncertainty may enable increased spent fuel cask capacity and fewer casks needing to be transported, thereby reducing regulatory burden on licensee while maintaining safety for transporting spent fuel. This report surveys several different best-estimate strategies for considering the effects of nuclide uncertainties in burnup-credit analyses. The potential benefits of these strategies are illustrated for a prototypical burnup-credit cask design. The subcritical margin estimated using best-estimate methods is discussed in comparison to the margin estimated using conventional bounding methods of uncertainty propagation. To quantify the comparison, each of the strategies for estimating uncertainty has been performed using a common database of spent fuel isotopic assay measurements for pressurized-light-water reactor fuels and predicted nuclide concentrations obtained using the current version of the SCALE code system. The experimental database applied in this study has been significantly expanded to include new high-enrichment and high-burnup spent fuel assay data recently published for a wide range of important burnup-credit actinides and fission products. Expanded rare earth fission-product measurements performed at the Khlopin Radium Institute in Russia that contain the only known publicly-available measurement for {sup 103

  4. An empirical formulation to describe the evolution of the high burnup structure

    Science.gov (United States)

    Lemes, Martín; Soba, Alejandro; Denis, Alicia

    2015-01-01

    In the present work the behavior of fuel pellets for LWR power reactors in the high burnup range (average burnup higher than about 45 MWd/kgU) is analyzed. For extended irradiation periods, a considerable Pu concentration is reached in the pellet periphery (rim zone), that contributes to local burnup. Gradually, a new microstructure develops in that ring, characterized by small grains and large pores as compared with those of the original material. In this region Xe is absent from the solid lattice (although it continues to be dissolved in the rest of the pellet). The porous microstructure in the pellet edge causes local changes in the mechanical and thermal properties, thus affecting the overall fuel behavior. It is generally accepted that the evolution of porosity in the high burnup structure (HBS) is determinant of the retention capacity of the fission gases rejected from the fuel matrix. This is the reason why, during the latest years a considerable effort has been devoted to characterizing the parameters that influence porosity. Although the mechanisms governing the microstructural transformation have not been completely elucidated yet, some empirical expressions can be given, and this is the intention of the present work, for representing the main physical parameters. Starting from several works published in the open literature, some mathematical expressions were developed to describe the behavior and progress of porosity at local burnup values ranging from 60 to 300 MWd/kgU. The analysis includes the interactions of different orders between pores, the growth of the pore radius by capturing vacancies, the evolution of porosity, pore number density and overpressure within the closed pores, the inventory of fission gas dissolved in the matrix and retained in the pores. The model is mathematically expressed by a system of non-linear differential equations. In the present work, results of this calculation scheme are compared with experimental data available in

  5. Size Design of CdZnTe Detector Shield for Measuring Burnup of Spent Fuel

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    <正>It is important to measure the burnup of spent fuel for nuclear safeguards, burnup credit and critical safety in spent-fuel reprocessing process. The purpose of this work is designing a portable device to

  6. Determination of NO chemical affinities of benzyl nitrite in acetonitrile

    Institute of Scientific and Technical Information of China (English)

    Xin LI; Xiaoqing ZHU; Jinpei CHENG

    2008-01-01

    There is an increasing interest in the study of NO chemical affinities of organic nitrites, for the bio-logical and physiological effects of organic nitrites seem to be due to their ability to release NO. In this paper, NO chemical affinities of ten substituted benzyl nitrites were determined by titration calorimetry combined with a ther-modynamic cycle in acetonitrile solution. The results show that ΔHhet(O-NO)s of benzyl nitrites are substan-tially larger than the corresponding ΔHhomo(O-NO)s, suggesting that these O-nitroso compounds much more easily release NO radicals by the O-NO bond homolytic cleavage. It is believed that the structural and energetic information disclosed in this work should be useful in understanding chemical and biological functions of organic nitrites.

  7. Need for higher fuel burnup at the Hatch Plant

    Energy Technology Data Exchange (ETDEWEB)

    Beckhman, J.T. [Georgia Power Co., Birmingham, AL (United States)

    1996-03-01

    Hatch is a BWR 4 and has been in operation for some time. The first unit became commercial about 1975. Obtaining higher burnups, or higher average discharge exposures, is nothing new at Hatch. Since we have started, the discharge exposure of the plant has increased. Now, of course, we are not approaching the numbers currently being discussed but, the average discharge exposure has increased from around 20,000 MWD/MTU in the early to mid-1980s to 34,000 MWD/MTU in 1994, I am talking about batch average values. There are also peak bundle and peak rod values. You will have to make the conversions if you think in one way or the other because I am talking in batch averages. During Hatch`s operating history we have had some problems with fuel failure. Higher burnup fuel raises a concern about how much fuel failure you are going to have. Fuel failure is, of course, an economic issue with us. Back in the early 1980s, we had a problem with crud-induced localized corrosion, known as CILC. We have gotten over that, but we had some times when it was up around 27 fuel failures a year. That is not a pleasant time to live through because it is not what you want from an economic viewpoint or any other. We have gotten that down. We have had some fuel failures recently, but they have not been related to fuel burnup or to corrosion. In fact, the number of failures has decreased from the early 1980s to the 90s even though burnup increased during that time. The fuel failures are more debris-related-type failures. In addition to increasing burnups, utilities are actively evaluating or have already incorporated power uprate and longer fuel cycles (e.g., 2-year cycles). The goal is to balance out the higher power density, longer cycles, higher burnup, and to have no leakers. Why do we as an industry want to have higher burnup fuel? That is what I want to tell you a little bit about.

  8. Effects of Lower Drying-Storage Temperature on the Ductility of High-Burnup PWR Cladding

    Energy Technology Data Exchange (ETDEWEB)

    Billone, M. C. [Argonne National Lab. (ANL), Argonne, IL (United States); Burtseva, T. A. [Argonne National Lab. (ANL), Argonne, IL (United States)

    2016-08-30

    The purpose of this research effort is to determine the effects of canister and/or cask drying and storage on radial hydride precipitation in, and potential embrittlement of, high-burnup (HBU) pressurized water reactor (PWR) cladding alloys during cooling for a range of peak drying-storage temperatures (PCT) and hoop stresses. Extensive precipitation of radial hydrides could lower the failure hoop stresses and strains, relative to limits established for as-irradiated cladding from discharged fuel rods stored in pools, at temperatures below the ductile-to-brittle transition temperature (DBTT).

  9. Design and construction of a prototype advanced on-line fuel burn-up monitoring system for the modular pebble bed reactor

    Energy Technology Data Exchange (ETDEWEB)

    Su, Bingjing; Hawari, Ayman, I.

    2004-03-30

    Modular Pebble Bed Reactor (MPBR) is a high temperature gas-cooled nuclear power reactor currently under study as a next generation reactor system. In addition to its inherently safe design, a unique feature of this reactor is its multi-pass fuel circulation in which the fuel pebbles are randomly loaded and continuously cycled through the core until they reach their prescribed End-of-Life burn-up limit. Unlike the situation with a conventional light water reactor, depending solely on computational methods to perform in-core fuel management for MPBR will be highly inaccurate. An on-line measurement system is needed to accurately assess whether a given pebble has reached its End-of-Life burn-up limit and thereby provide an on-line, automated go/no-go decision on fuel disposition on a pebble-by-pebble basis. This project investigated approaches to analyzing fuel pebbles in real time using gamma spectroscopy and possibly using passive neutron counting of spontaneous fission neutrons to provide the speed, accuracy, and burn-up range required for burnup determination of MPBR. It involved all phases necessary to develop and construct a burn-up monitor, including a review of the design requirements of the system, identification of detection methodologies, modeling and development of potential designs, and finally, the construction and testing of an operational detector system. Based upon the research work performed in this project, the following conclusions are made. In terms of using gamma spectrometry, two possible approaches were identified for burnup assay. The first approach is based on the measurement of the absolute activity of Cs-137. However, due to spectral interference and the need for absolute calibration of the spectrometer, the uncertainty in burnup determination using this approach was found to range from {approx} {+-}40% at beginning of life to {approx} {+-}10% at the discharge burnup. An alternative approach is to use a relative burnup indicator. In this

  10. Determination of caffeine using oscillating chemical reaction in a CSTR.

    Science.gov (United States)

    Gao, Jinzhang; Ren, Jie; Yang, Wu; Liu, XiuHui; Yang, Hua

    2003-07-14

    A new analytical method for the determination of caffeine by the sequential perturbation caused by different amounts of caffeine on the oscillating chemical system involving the manganese(II)-catalyzed reaction between potassium bromate and tyrosine in acidic medium in a CSTR was proposed. The method exposed for the first time in this work. It relies on the relationship between the changes in the oscillation amplitude of the chemical system and the concentration of caffeine. The calibration curve fits a second-order polynomial equation very well when the concentration of caffeine over the range 4.0 x 10(-6) - 1.2 x 10(-4) M (r = 0.9968). The effect of influential variables, such as the concentration of reaction components, injection point, temperature, flow rate and stirring rate were studied. Some aspects of the potential mechanism of action of caffeine on the chemical oscillating system were also discussed. A real sample was determined and the result was satisfactory.

  11. Spent fuel dissolution rates as a function of burnup and water chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Gray, W.J.

    1998-06-01

    To help provide a source term for performance-assessment calculations, dissolution studies on light-water-reactor (LWR) spent fuel have been conducted over the past few years at Pacific Northwest National Laboratory in support of the Yucca Mountain Site Characterization Project. This report describes that work for fiscal years 1996 through mid-1998 and includes summaries of some results from previous years for completeness. The following conclusions were based on the results of various flowthrough dissolution rate tests and on tests designed to measure the inventories of {sup 129}I located within the fuel/cladding gap region of different spent fuels: (1) Spent fuels with burnups in the range 30 to 50 MWd/kgM all dissolved at about the same rate over the conditions tested. To help determine whether the lack of burnup dependence extends to higher and lower values, tests are in progress or planned for spent fuels with burnups of 13 and {approximately} 65 MWd/kgM. (2) Oxidation of spent fuel up to the U{sub 4}O{sub 9+x} stage does not have a large effect on intrinsic dissolution rates. However, this degree of oxidation could increase the dissolution rates of relatively intact fuel by opening the grain boundaries, thereby increasing the effective surface area that is available for contact by water. From a disposal viewpoint, this is a potentially more important consideration than the effect on intrinsic rates. (3) The gap inventories of {sup 129}I were found to be smaller than the fission gas release (FGR) for the same fuel rod with the exception of the rod with the highest FGR. Several additional fuels would have to be tested to determine whether a generalized relationship exists between FGR and {sup 129}I gap inventory for US LWR fuels.

  12. Applications of laser in the field of chemical solubility determination

    Institute of Scientific and Technical Information of China (English)

    Mingming Chen(陈明鸣); Peisheng Ma(马沛生); Xinxing Liu(柳新星)

    2003-01-01

    A novel experiment method for chemical solubility determination was brought forward, in which opticsand chemistry principles are united and the change of laser intensity indicates the process of chemicaldissolving. The more undissolved solid exists in the mixture of solute and solvent, the less transmittedlaser intensity is detected. Only when the transmitted laser intensity in stirring state and that in staticstate comes into equalization, the dissolving process stops. Under the help of laser intensity judgement,measurements turn to be more feasible and objective, especially at high pressure. The average relativeerrors for the solubility data determined in this paper are 2.3% for those in the minor value scope and 1.7%for those in the high value scope respectively. Comparison of the experimental solubility data with theliterature ones demonstrates that the laser-aid solubility determination apparatus is stable and reliable.

  13. OREST - The hammer-origen burnup program system

    Energy Technology Data Exchange (ETDEWEB)

    Hesse, U. (Gesellschaft fur Reaktorsicherheit mbH Forschungsgelande, 8046 Garching bei Munchen (DE))

    1988-08-01

    Reliable prediction of the characteristics of irradiated light water reactor fuels (e.g., afterheat power, neutron and gamma radiation sources, final uranium and plutonium contents) is needed for many aspects of the nuclear fuel cycle. Two main problems must be solved: the simulation of all isotopic nuclear reactions and the simulation of neutron fluxes setting the reactions in motion. In state-of-the-art computer techniques, a combination of specialized codes for lattice cell and burnup calculations is preferred to solve these cross-linked problems in time or burnup step approximation. In the program system OREST, developed for official and commercial tasks in the Federal Republic of Germany nuclear fuel cycle, the well-known codes HAMMER and ORIGEN and directly coupled with a fuel rod temperature module.

  14. Model biases in high-burnup fast reactor simulations

    Energy Technology Data Exchange (ETDEWEB)

    Touran, N.; Cheatham, J.; Petroski, R. [TerraPower LLC, 11235 S.E. 6th St, Bellevue, WA 98004 (United States)

    2012-07-01

    A new code system called the Advanced Reactor Modeling Interface (ARMI) has been developed that loosely couples multiscale, multiphysics nuclear reactor simulations to provide rapid, user-friendly, high-fidelity full systems analysis. Incorporating neutronic, thermal-hydraulic, safety/transient, fuel performance, core mechanical, and economic analyses, ARMI provides 'one-click' assessments of many multi-disciplined performance metrics and constraints that historically require iterations between many diverse experts. The capabilities of ARMI are implemented in this study to quantify neutronic biases of various modeling approximations typically made in fast reactor analysis at an equilibrium condition, after many repetitive shuffles. Sensitivities at equilibrium that result in very high discharge burnup are considered ( and >20% FIMA), as motivated by the development of the Traveling Wave Reactor. Model approximations discussed include homogenization, neutronic and depletion mesh resolution, thermal-hydraulic coupling, explicit control rod insertion, burnup-dependent cross sections, fission product model, burn chain truncation, and dynamic fuel performance. The sensitivities of these approximations on equilibrium discharge burnup, k{sub eff}, power density, delayed neutron fraction, and coolant temperature coefficient are discussed. (authors)

  15. Fuel burnup calculation of a research reactor plate element

    Energy Technology Data Exchange (ETDEWEB)

    Santos, Nadia Rodrigues dos; Lima, Zelmo Rodrigues de; Moreira, Maria de Lourdes, E-mail: nadiasam@gmail.com, E-mail: zrlima@ien.gov.br, E-mail: malu@ien.gov.br [Instituto de Engenharia Nuclear (IEN/CNEN-RJ), Rio de Janeiro, RJ (Brazil)

    2013-07-01

    This work consists in simulating the burnup of two different plate type fuel elements, where one is the benchmark MTR of the IAEA, which is made of an alloy of uranium and aluminum, while the other belonging to a typical multipurpose reactor is composed of an alloy of uranium and silicon. The simulation is performed using the WIMSD-5B computer code, which makes use of deterministic methods for solving neutron transport. In developing this task, fuel element equivalent cells were calculated representing each of the reactors to obtain the initial concentrations of each isotope constituent element of the fuel cell and the thicknesses corresponding to each region of the cell, since this information is part of the input data. The compared values of the k∞ showed a similar behavior for the case of the MTR calculated with the WIMSD-5B and EPRI-CELL codes. Relating the graphs of the concentrations in the burnup of both reactors, there are aspects very similar to each isotope selected. The application WIMSD-5B code to calculate isotopic concentrations and burnup of the fuel element, proved to be satisfactory for the fulfillment of the objective of this work. (author)

  16. Optimization of the determination of chemical oxygen demand in wastewaters.

    Science.gov (United States)

    Silva, Alexandra M E Viana da; Silva, Ricardo J N Bettencourt da; Camões, M Filomena G F C

    2011-08-12

    Chemical oxygen demand (COD) is one of the most relevant chemical parameters for the management of wastewater treatment facilities including the control of the quality of an effluent. The adequacy of decisions based on COD values relies on the quality of the measurements. Cost effective management of the minor sources of uncertainty can be applied to the analytical procedure without affecting measurement quality. This work presents a detailed assessment of the determination of COD values in wastewaters, according to ISO6060:1989 standard, which can support reduction of both measurement uncertainty and cost of analysis. This assessment includes the definition of the measurement traceability chain and the validation of the measurement procedure supported on sound and objective criteria. Detailed models of the measurement performance, including uncertainty, developed from the Differential Approach, were successfully validated by proficiency tests. The assumption of the measurement function linearity of the uncertainty propagation law was tested through the comparison with the numerical Kragten method. The gathered information supported the definition of strategies for measurement uncertainty or cost reduction. The developed models are available as electronic supplementary material, in an MS-Excel file, to be updated with the user's data.

  17. Determination of Reference Chemical Potential Using Molecular Dynamics Simulations

    Directory of Open Access Journals (Sweden)

    Krishnadeo Jatkar

    2010-01-01

    Full Text Available A new method implementing molecular dynamics (MD simulations for calculating the reference properties of simple gas hydrates has been proposed. The guest molecules affect interaction between adjacent water molecules distorting the hydrate lattice, which requires diverse values of reference properties for different gas hydrates. We performed simulations to validate the experimental data for determining Δ0, the chemical potential difference between water and theoretical empty cavity at the reference state, for structure II type gas hydrates. Simulations have also been used to observe the variation of the hydrate unit cell volume with temperature. All simulations were performed using TIP4P water molecules at the reference temperature and pressure conditions. The values were close to the experimental values obtained by the Lee-Holder model, considering lattice distortion.

  18. Models for fuel rod behaviour at high burnup

    Energy Technology Data Exchange (ETDEWEB)

    Jernkvist, Lars O.; Massih, Ali R. [Quantum Technologies AB, Uppsala Science Park, Uppsala (Sweden)

    2004-12-01

    This report deals with release of fission product gases and irradiation-induced restructuring in uranium dioxide nuclear fuel. Waterside corrosion of zirconium alloy clad tubes to light water reactor fuel rods is also discussed. Computational models, suitable for implementation in the FRAPCON-3.2 computer code, are proposed for these potentially life-limiting phenomena. Hence, an integrated model for the calculation or thermal fission gas release by intragranular diffusion, gas trapping in grain boundaries, irradiation-induced re-solution, grain boundary saturation, and grain boundary sweeping in UO{sub 2} fuel, under time varying temperature loads, is formulated. After a brief review of the status of thermal fission gas release modelling, we delineate the governing equations for the aforementioned processes. Grain growth kinetic modelling is briefly reviewed and pertinent data on grain growth of high burnup fuel obtained during power ramps in the Third Risoe Fission Gas Release Project are evaluated. Sample computations are performed, which clearly show the connection between fission gas release and gram growth as a function of time at different isotherms. Models are also proposed for the restructuring of uranium dioxide fuel at high burnup, the so-called rim formation, and its effect on fuel porosity build-up, fuel thermal conductivity and fission gas release. These models are assessed by use of recent experimental data from the High Burnup Rim Project, as well as from post irradiation examinations of high-burnup fuel, irradiated in power reactors. Moreover, models for clad oxide growth and hydrogen pickup in PWRs, applicable to Zircaloy-4, ZIRLO or M5 cladding, are formulated, based on recent in-reactor corrosion data for high-burnup fuel rods. Our evaluation of these data indicates that the oxidation rate of ZIRLO-type materials is about 20% lower than for standard Zircaloy-4 cladding under typical PWR conditions. Likewise, the oxidation rate of M5 seems to be

  19. Data Mining Techniques to Estimate Plutonium, Initial Enrichment, Burnup, and Cooling Time in Spent Fuel Assemblies

    Energy Technology Data Exchange (ETDEWEB)

    Trellue, Holly Renee [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Fugate, Michael Lynn [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Tobin, Stephen Joesph [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2015-03-19

    The Next Generation Safeguards Initiative (NGSI), Office of Nonproliferation and Arms Control (NPAC), National Nuclear Security Administration (NNSA) of the U.S. Department of Energy (DOE) has sponsored a multi-laboratory, university, international partner collaboration to (1) detect replaced or missing pins from spent fuel assemblies (SFA) to confirm item integrity and deter diversion, (2) determine plutonium mass and related plutonium and uranium fissile mass parameters in SFAs, and (3) verify initial enrichment (IE), burnup (BU), and cooling time (CT) of facility declaration for SFAs. A wide variety of nondestructive assay (NDA) techniques were researched to achieve these goals [Veal, 2010 and Humphrey, 2012]. In addition, the project includes two related activities with facility-specific benefits: (1) determination of heat content and (2) determination of reactivity (multiplication). In this research, a subset of 11 integrated NDA techniques was researched using data mining solutions at Los Alamos National Laboratory (LANL) for their ability to achieve the above goals.

  20. Recent view to the results of pulse tests in the IGR reactor with high burn-up fuel

    Energy Technology Data Exchange (ETDEWEB)

    Asmolov, V.; Yegorova, L. [Russian Research Centre, Moscow (Russian Federation)

    1996-03-01

    Testing of 43 fuel elements (13 fuel elements with high burn-up fuel, 10 fuel elements with preirradiated cladding and fresh fuel, and 20 non-irradiated fuel elements) was carried out in the IGR pulse reactor with a half width of the reactor power pulse of about 0.7 sec. Tests were conducted in capsules with no coolant flow and with standard initial conditions in the capsule of 20{degrees}C and 0.2 MPa. Two types of coolant were used: water and air. One purpose of the test program was to determine the thresholds and mechanisms of fuel rod failure under RIA conditions for VVER fuel rods over their entire exposure range, from zero to high burn-up. These failure thresholds are often used in safety analyses. The tests and analyses were designed to reveal the influence on fuel rod failure of (1) the mechanical properties of the cladding, (2) the pellet-to-cladding gap, (3) fuel burn-up, (4) fuel-to-coolant heat transfer, and other parameters. The resulting data base can also be used for validation of computer codes used for analyzing fuel rod behavior. Three types of test specimens were used in the tests, and diagrams of these specimens are shown in Fig. 1. {open_quotes}Type-C{close_quotes} specimens were re-fabricated from commercial fuel rods of the VVER-1000 type that had been subjected to many power cycles of operation in the Novovoronezh Nuclear Power Plant (NV NPP). {open_quotes}Type-D{close_quotes} specimens were fabricated from the same commercial fuel rods used above, but the high burn-up oxide fuel was removed from the cladding and was replaced with fresh oxide fuel pellets. {open_quotes}Type-D{close_quotes} specimens thus provided a means of separating the effects of the cladding and the oxide fuel pellets and were used to examine cladding effects only.

  1. Determination of some chemical and microbiological characteristics of Kaymak

    Directory of Open Access Journals (Sweden)

    Ökten, Sevtap

    2006-12-01

    Full Text Available Kaymak is a kind of concentrated cream, which is traditionally manufactured from buffalo or cow’s milk in Turkey. It is generally consumed with honey at breakfast and some traditional Turkish desserts. The aim of this study was to determine some chemical and microbiological properties of kaymak. The samples were obtained from different dairy plants producing kaymak from cow’s milk and local markets located in Zmir. They were examined for total solids and fat contents, acidity, pH and peroxide values, as well as counts of coliform bacteria, E. coli, yeast and moulds, and Staphylococci. Chemical characteristics of the samples were generally favorable for Turkish Food Codex. However, microbiological properties of some samples were very poor. Careful considerations should be given by the kaymak industry during manufacturing and storage of the product.Kaymak es una clase de crema concentrada, que se fabrica tradicionalmente de la leche del búfalo o de la vaca en Turquía. Se consume generalmente con la miel en el desayuno y en algunos postres turcos tradicionales. El objetivo de este estudio fue determinar algunas características químicas y microbiológicas del kaymak. Las muestras fueron obtenidas de diversas instalaciones lecheras productoras de kaymak de leche de vaca y de mercados locales situados en Zmir. Se analizó el contenido en sólidos totales y grasas, acidez, pH y valores de peróxido, además del conteo de tan bien como cuentas de las bacterias coliformes, E. coli, levadura y mohos, y estafilococos. Las características químicas de las muestras fueron generalmente aceptables para el Turkish Food Codex. Sin embargo, las características microbiológicas de algunas muestras fueron muy malas. La industria del kaymak debe ser extremadamente cuidadosa durante la fabricación y el almacenaje del producto.

  2. Water effect on peroxy radical measurement by chemical amplification: Experimental determination and chemical mechanism

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    The water effect on peroxy radical measurement by chemical amplification was determined experimentally for HO2 and HO2+OH, respectively at room temperature (298±2) K and atmospheric pressure (1×105 Pa). No significant difference in water effect was observed with the type of radicals. A theoretical study of the reaction of HO2·H2O adduct with NO was performed using density functional theory at CCSD(T)/6-311 G(2d, 2p)//B3LYP/6-311 G(2d, 2p) level of theory. It was found that the primary reaction channel for the reaction is HO2·H2O+NO→HNO3+H2O (R4a). On the basis of the theoretical study, the rate constant for (R4a) was calculated using Polyrate Version 8.02 program. The fitted Arrenhnius equation for (R4a) is k = 5.49×107 T 1.03exp(?14798/T) between 200 and 2000 K. A chemical model incorporated with (R4a) was used to simulate the water effect. The water effect curve obtained by the model is in accordance with that of the experiment, suggesting that the water effect is probably caused mainly by (R4a).

  3. Water effect on peroxy radical measurement by chemical amplification: Experimental determination and chemical mechanism

    Institute of Scientific and Technical Information of China (English)

    QI Bin; LIU Lu; CHAO YuTao; WANG ZhuQing; YANG HongYan

    2008-01-01

    The water effect on peroxy radical measurement by chemical amplification was determined experi-mentally for HO2 and HO2+OH, respectively at room temperature (298+9) K and atmospheric pressure (1×105 Pa). No significant difference in water effect was observed with the type of radicals. A theoretical study of the reaction of HO2. H2O adduct with NO was performed using density functional theory at CCSD(T)/6-311 G(2d, 2p)//B3LYPI6-311 G(2d, 2p) level of theory. It was found that the primary reaction channel for the reaction is HO2. H2O+NO→HNO3+H2O (R4a). On the basis of the theoretical study, the rate constant for (R4a) was calculated using Polyrate Version 8.02 program. The fitted Arrenhnius equation for (R4a) is k=5.49×107 T1.03exp(-14798/T) between 200 and 2000 K. A chemical model in-corporated with (R4a) was used to simulate the water effect. The water effect curve obtained by the model is in accordance with that of the experiment, suggesting that the water effect is probably caused mainly by (R4a).

  4. New results from the NSRR experiments with high burnup fuel

    Energy Technology Data Exchange (ETDEWEB)

    Fuketa, Toyoshi; Ishijima, Kiyomi; Mori, Yukihide [Japan Atomic Research Institute, Toaki, Ibaraki (Japan)] [and others

    1996-03-01

    Results obtained in the NSRR power burst experiments with irradiated PWR fuel rods with fuel burnup up to 50 MWd/kgU are described and discussed in this paper. Data concerning test method, test fuel rod, pulse irradiation, transient records during the pulse and post irradiation examination are described, and interpretations and discussions on fission gas release and fuel pellet fragmentation are presented. During the pulse-irradiation experiment with 50 MWd/kgU PWR fuel rod, the fuel rod failed at considerably low energy deposition level, and large amount of fission gas release and fragmentation of fuel pellets were observed.

  5. Evaluation of Isotopic Measurements and Burn-up Value of Sample GU3 of ARIANE Project

    Energy Technology Data Exchange (ETDEWEB)

    Tore, C.; Rodriguez Rivada, A.

    2014-07-01

    Estimation of the burn-up value of irradiated fuel and its isotopic composition are important for criticality analysis, spent fuel management and source term estimation. The practical way to estimate the irradiated fuel composition and burn.up value is calculation with validated code and nuclear data. Such validation of the neutronic codes and nuclear data requires the benchmarking with measured values. (Author)

  6. Program Helps To Determine Chemical-Reaction Mechanisms

    Science.gov (United States)

    Bittker, D. A.; Radhakrishnan, K.

    1995-01-01

    General Chemical Kinetics and Sensitivity Analysis (LSENS) computer code developed for use in solving complex, homogeneous, gas-phase, chemical-kinetics problems. Provides for efficient and accurate chemical-kinetics computations and provides for sensitivity analysis for variety of problems, including problems involving honisothermal conditions. Incorporates mathematical models for static system, steady one-dimensional inviscid flow, reaction behind incident shock wave (with boundary-layer correction), and perfectly stirred reactor. Computations of equilibrium properties performed for following assigned states: enthalpy and pressure, temperature and pressure, internal energy and volume, and temperature and volume. Written in FORTRAN 77 with exception of NAMELIST extensions used for input.

  7. MTR core loading pattern optimization using burnup dependent group constants

    Directory of Open Access Journals (Sweden)

    Iqbal Masood

    2008-01-01

    Full Text Available A diffusion theory based MTR fuel management methodology has been developed for finding superior core loading patterns at any stage for MTR systems, keeping track of burnup of individual fuel assemblies throughout their history. It is based on using burnup dependent group constants obtained by the WIMS-D/4 computer code for standard fuel elements and control fuel elements. This methodology has been implemented in a computer program named BFMTR, which carries out detailed five group diffusion theory calculations using the CITATION code as a subroutine. The core-wide spatial flux and power profiles thus obtained are used for calculating the peak-to-average power and flux-ratios along with the available excess reactivity of the system. The fuel manager can use the BFMTR code for loading pattern optimization for maximizing the excess reactivity, keeping the peak-to-average power as well as flux-ratio within constraints. The results obtained by the BFMTR code have been found to be in good agreement with the corresponding experimental values for the equilibrium core of the Pakistan Research Reactor-1.

  8. Investigation of the fundamental constants stability based on the reactor Oklo burn-up analysis

    CERN Document Server

    Onegin, M S

    2010-01-01

    The burn-up for SC56-1472 sample of the natural Oklo reactor zone 3 was calculated using the modern Monte Carlo codes. We reconstructed the neutron spectrum in the core by means of the isotope ratios: $^{147}$Sm/$^{148}$Sm and $^{176}$Lu/$^{175}$Lu. These ratios unambiguously determine the spectrum index and core temperature. The effective neutron absorption cross section of $^{149}$Sm calculated using this spectrum was compared with experimental one. The disagreement between these two values allows to limit a possible shift of the low laying resonance of $^{149}$Sm even more . Then, these limits were converted to the limits for the change of the fine structure constant $\\alpha$. We found that for the rate of $\\alpha$ change the inequality $|\\delta \\dot{\\alpha}/\\alpha| \\le 5\\cdot 10^{-18}$ is fulfilled, which is of the next higher order than our previous limit.

  9. Investigation of the Fundamental Constants Stability Based on the Reactor Oklo Burn-Up Analysis

    Science.gov (United States)

    Onegin, M. S.; Yudkevich, M. S.; Gomin, E. A.

    2012-12-01

    The burn-up of few samples of the natural Oklo reactor zones 3, 5 was calculated using the modern Monte Carlo code. We reconstructed the neutron spectrum in the core by means of the isotope ratios: 147Sm/148Sm and 176Lu/175Lu. These ratios unambiguously determine the water content and core temperature. The isotope ratio of the 149Sm in the sample calculated using this spectrum was compared with experimental one. The disagreement between these two values allows one to limit a possible shift of the low lying resonance of 149Sm. Then, these limits were converted to the limits for the change of the fine structure constant α. We have found out, that for the rate of α change, the inequality ěrt˙ {α }/α ěrt<= 5× 10-18 is fulfilled, which is one order higher than our previous limit.

  10. Impact of Reactor Operating Parameters on Cask Reactivity in BWR Burnup Credit

    Energy Technology Data Exchange (ETDEWEB)

    Ilas, Germina [ORNL; Betzler, Benjamin R [ORNL; Ade, Brian J [ORNL

    2017-01-01

    This paper discusses the effect of reactor operating parameters used in fuel depletion calculations on spent fuel cask reactivity, with relevance for boiling-water reactor (BWR) burnup credit (BUC) applications. Assessments that used generic BWR fuel assembly and spent fuel cask configurations are presented. The considered operating parameters, which were independently varied in the depletion simulations for the assembly, included fuel temperature, bypass water density, specific power, and operating history. Different operating history scenarios were considered for the assembly depletion to determine the effect of relative power distribution during the irradiation cycles, as well as the downtime between cycles. Depletion, decay, and criticality simulations were performed using computer codes and associated nuclear data within the SCALE code system. Results quantifying the dependence of cask reactivity on the assembly depletion parameters are presented herein.

  11. Calibration of burnup monitor of spent nuclear fuel installed at Rokkasho reprocessing plant

    Energy Technology Data Exchange (ETDEWEB)

    Oeda, Kaoru; Matoba, Masaru; Wakabayashi, Genichiro [Kyushu Univ., Fukuoka (Japan). Faculty of Engineering; Naito, Hirofumi; Hirota, Masanari [Nuclear Fuel Industries Ltd., Tokyo (Japan); Morizaki, Hidetoshi; Kumanomido, Hironori; Natsume, Koichiro [Toshiba Corp., Tokyo (Japan)

    2001-05-01

    The spent nuclear fuel storage pool of Rokkasho reprocessing plant adopts the burnup credit' conception. Spent fuel assemblies are measured every one by one, by burnup monitors, and stored to a storage rack which is designed with specified residual enrichment. For nuclear criticality control, it is necessary for the burnup monitor that the measured value includes a kind of margin, which consists of errors of the monitor. In this paper, we describe the error of the burnup monitors, and the way of taking of the margin. From the result of calibration of the burnup monitor carried out from July through November, 1999, we describe that the way of taking of the margin is validated. And comments about possibility of error reduction are remarked. (author)

  12. Detailed description and user`s manual of high burnup fuel analysis code EXBURN-I

    Energy Technology Data Exchange (ETDEWEB)

    Suzuki, Motoe [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment; Saitou, Hiroaki

    1997-11-01

    EXBURN-I has been developed for the analysis of LWR high burnup fuel behavior in normal operation and power transient conditions. In the high burnup region, phenomena occur which are different in quality from those expected for the extension of behaviors in the mid-burnup region. To analyze these phenomena, EXBURN-I has been formed by the incorporation of such new models as pellet thermal conductivity change, burnup-dependent FP gas release rate, and cladding oxide layer growth to the basic structure of low- and mid-burnup fuel analysis code FEMAXI-IV. The present report describes in detail the whole structure of the code, models, and materials properties. Also, it includes a detailed input manual and sample output, etc. (author). 55 refs.

  13. Preparation of data relevant to ''Equivalent Uniform Burnup'' and Equivalent Initial Enrichment'' for burnup credit evaluation

    Energy Technology Data Exchange (ETDEWEB)

    Nomura, Yasushi; Okuno, Hiroshi [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment; Murazaki, Minoru [Tokyo Nuclear Service Inc., Tokyo (Japan)

    2001-11-01

    Based on the PWR spent fuel composition data measured at JAERI, two kinds of simplified methods such as ''Equivalent Uniform Burnup'' and ''Equivalent Initial Enrichment'' have been introduced. And relevant evaluation curves have been prepared for criticality safety evaluation of spent fuel storage pool and transport casks, taking burnup of spent fuel into consideration. These simplified methods can be used to obtain an effective neutron multiplication factor for a spent fuel storage/transportation system by using the ORIGEN2.1 burnup code and the KENO-Va criticality code without considering axial burnup profile in spent fuel and other various factors introducing calculated errors. ''Equivalent Uniform Burnup'' is set up for its criticality analysis to be reactivity equivalent with the detailed analysis, in which the experimentally obtained isotopic composition together with a typical axial burnup profile and various factors such as irradiation history are considered on the conservative side. On the other hand, Equivalent Initial Enrichment'' is set up for its criticality analysis to be reactivity equivalent with the detailed analysis such as above when it is used in the so called fresh fuel assumption. (author)

  14. Corrosion studies with high burnup light water reactor fuel. Release of nuclides into simulated groundwater during accumulated contact time of up to two years

    Energy Technology Data Exchange (ETDEWEB)

    Zwicky, Hans-Urs (Zwicky Consulting GmbH, Remigen (Switzerland)); Low, Jeanett; Ekeroth, Ella (Studsvik Nuclear AB, Nykoeping (Sweden))

    2011-03-15

    pellet surface than the bulk of the pellet in leaching experiments. Thus, formation of oxidising species and radicals by radiolysis is expected to be disproportionately high as well. Therefore, when discussing high burnup fuel dissolution, the effect of the increased radiation field with burnup, as well as of the influence of the smaller grain size and increased porosity at the rim are mentioned as factors which contribute to increased dissolution rates. A third factor, increased fission product and actinide doping with burnup, has been discussed extensively in connection with increased resistance to air oxidation of the fuel. Samples from four different fuel rods, all operated in Pressurised Water Reactors (PWR), are used in the new series of corrosion experiments. They cover a burnup range from 58 to 75 MWd/kgU. The nuclide inventory of all four samples was determined by means of a combination of experimental nuclide analysis and sample specific modelling calculations. More than 40 different nuclides were analysed by isotope dilution analysis using Inductively Coupled Plasma Mass Spectrometry (ICP-MS), as well as other ICP-MS and gamma spectrometric methods. The content of roughly all fission products and actinides was also calculated separately for each sample. The experiments are performed under oxidising conditions in synthetic groundwater at ambient temperature. In order to make results as comparable as possible to those of the Series 11 experiments, the same procedure and the same leachant is used. At least nine consecutive contact periods of one and three weeks and two, three, six and twelve months are planned. The present report covers the first five contact periods up to a cumulative contact time of one year for all four samples and in addition the sixth period up to a cumulative contact time of two years for two of the samples. The samples, kept in position by a platinum wire spiral, are exposed to synthetic groundwater in a Pyrex flask. After the contact

  15. Instant release fraction and matrix release of high burn-up UO2 spent nuclear fuel: Effect of high burn-up structure and leaching solution composition

    Science.gov (United States)

    Serrano-Purroy, D.; Clarens, F.; González-Robles, E.; Glatz, J. P.; Wegen, D. H.; de Pablo, J.; Casas, I.; Giménez, J.; Martínez-Esparza, A.

    2012-08-01

    Two weak points in Performance Assessment (PA) exercises regarding the alteration of Spent Nuclear Fuel (SNF) are the contribution of the so-called Instant Release Fraction (IRF) and the effect of High Burn-Up Structure (HBS). This manuscript focuses on the effect of HBS in matrix (long term) and instant release of a Pressurised Water Reactor (PWR) SNF irradiated in a commercial reactor with a mean Burn-Up (BU) of 60 GWd/tU. In order to study the HBS contribution, two samples from different radial positions have been prepared. One from the centre of the SNF, labelled CORE, and one from the periphery, enriched with HBS and labelled OUT. Static leaching experiments have been carried out with two synthetic leaching solutions: bicarbonate (BIC) and Bentonitic Granitic Groundwater (BGW), and in all cases under oxidising conditions. IRF values have been calculated from the determined Fraction of Inventory in Aqueous Phase (FIAP). In all studied cases, some radionuclides (RN): Rb, Sr and Cs, have shown higher release rates than uranium, especially at the beginning of the experiment, and have been considered as IRF. Redox sensitive RN like Mo and Tc have been found to dissolve slightly faster than uranium and further studies might be needed to confirm if they can also be considered part of the IRF. Most of the remaining studied RN, mainly actinides and lanthanides, have been found to dissolve congruently with the uranium matrix. Finally, Zr, Ru and Rh presented lower release rates than the matrix. Higher matrix release has been determined for CORE than for OUT samples showing that the formation of HBS might have a protective effect against the oxidative corrosion of the SNF. On the contrary, no significant differences have been observed between the two studied leaching solutions (BIC and BGW). Two different IRF contributions have been determined. One corresponding to the fraction of inventory segregated in the external open grain boundaries, directly available to water and

  16. RAPID program to predict radial power and burnup distribution of UO{sub 2} fuel

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Chan Bock; Song, Jae Sung; Bang, Je Gun; Kim, Dae Ho [Korea Atomic Energy Research Institute, Taejon (Korea)

    1999-02-01

    Due to the radial variation of the neutron flux and its energy spectrum inside UO{sub 2} fuel, the fission density and fissile isotope production rates are varied radially in the pellet, and it becomes necessary to know the accurate radial power and burnup variation to predict the high burnup fuel behavior such as rim effects. Therefore, to predict the radial distribution of power, burnup and fissionable nuclide densities in the pellet with the burnup and U-235 enrichment, RAPID(RAdial power and burnup Prediction by following fissile Isotope Distribution in the pellet) program was developed. It considers the specific radial variation of the neutron reaction of the nuclides while the constant radial variation of neutron reaction except neutron absorption of U-238 regardless of the nuclides, the burnup and U-235 enrichment is assumed in TUBRNP model which is recognized as the one of the most reliable models. Therefore, it is expected that RAPID may be more accurate than TUBRNP, specially at high burnup region. RAPID is based upon and validated by the detailed reactor physics code, HELIOS which is one of few codes that can calculates the radial variations of the nuclides inside the pellet. Comparison of RAPID prediction with the measured data of the irradiated fuels showed very good agreement. RAPID can be used to calculate the local variations of the fissionable nuclide concentrations as well as the local power and burnup inside that pellet as a function of the burnup up to 10 w/o U-235 enrichment and 150 MWD/kgU burnup under the LWR environment. (author). 8 refs., 50 figs., 1 tab.

  17. Extension and validation of the TRANSURANUS burn-up model for helium production in high burn-up LWR fuels

    Science.gov (United States)

    Botazzoli, Pietro; Luzzi, Lelio; Brémier, Stephane; Schubert, Arndt; Van Uffelen, Paul; Walker, Clive T.; Haeck, Wim; Goll, Wolfgang

    2011-12-01

    The TRANSURANUS burn-up model (TUBRNP) calculates the local concentration of the actinides, the main fission products, and 4He as a function of the radial position across a fuel rod. In this paper, the improvements in the helium production model as well as the extensions in the simulation of 238-242Pu, 241Am, 243Am and 242-245Cm isotopes are described. Experimental data used for the extended validation include new EPMA measurements of the local concentrations of Nd and Pu and recent SIMS measurements of the radial distributions of Pu, Am and Cm isotopes, both in a 3.5% enriched commercial PWR UO 2 fuel with a burn-up of 80 and 65 MWd/kgHM, respectively. Good agreement has been found between TUBRNP and the experimental data. The analysis has been complemented by detailed neutron transport calculations (VESTA code), and also revealed the need to update the branching ratio for the 241Am(n,γ) 242mAm reaction in typical PWR conditions.

  18. Accident source terms for light-water nuclear power plants using high-burnup or MOX fuel.

    Energy Technology Data Exchange (ETDEWEB)

    Salay, Michael (U.S. Nuclear Regulatory Commission, Washington, D.C.); Gauntt, Randall O.; Lee, Richard Y. (U.S. Nuclear Regulatory Commission, Washington, D.C.); Powers, Dana Auburn; Leonard, Mark Thomas

    2011-01-01

    Representative accident source terms patterned after the NUREG-1465 Source Term have been developed for high burnup fuel in BWRs and PWRs and for MOX fuel in a PWR with an ice-condenser containment. These source terms have been derived using nonparametric order statistics to develop distributions for the timing of radionuclide release during four accident phases and for release fractions of nine chemical classes of radionuclides as calculated with the MELCOR 1.8.5 accident analysis computer code. The accident phases are those defined in the NUREG-1465 Source Term - gap release, in-vessel release, ex-vessel release, and late in-vessel release. Important differences among the accident source terms derived here and the NUREG-1465 Source Term are not attributable to either fuel burnup or use of MOX fuel. Rather, differences among the source terms are due predominantly to improved understanding of the physics of core meltdown accidents. Heat losses from the degrading reactor core prolong the process of in-vessel release of radionuclides. Improved understanding of the chemistries of tellurium and cesium under reactor accidents changes the predicted behavior characteristics of these radioactive elements relative to what was assumed in the derivation of the NUREG-1465 Source Term. An additional radionuclide chemical class has been defined to account for release of cesium as cesium molybdate which enhances molybdenum release relative to other metallic fission products.

  19. Using chemical benchmarking to determine the persistence of chemicals in a Swedish lake.

    Science.gov (United States)

    Zou, Hongyan; Radke, Michael; Kierkegaard, Amelie; MacLeod, Matthew; McLachlan, Michael S

    2015-02-03

    It is challenging to measure the persistence of chemicals under field conditions. In this work, two approaches for measuring persistence in the field were compared: the chemical mass balance approach, and a novel chemical benchmarking approach. Ten pharmaceuticals, an X-ray contrast agent, and an artificial sweetener were studied in a Swedish lake. Acesulfame K was selected as a benchmark to quantify persistence using the chemical benchmarking approach. The 95% confidence intervals of the half-life for transformation in the lake system ranged from 780-5700 days for carbamazepine to <1-2 days for ketoprofen. The persistence estimates obtained using the benchmarking approach agreed well with those from the mass balance approach (1-21% difference), indicating that chemical benchmarking can be a valid and useful method to measure the persistence of chemicals under field conditions. Compared to the mass balance approach, the benchmarking approach partially or completely eliminates the need to quantify mass flow of chemicals, so it is particularly advantageous when the quantification of mass flow of chemicals is difficult. Furthermore, the benchmarking approach allows for ready comparison and ranking of the persistence of different chemicals.

  20. Burnup calculations for the HOMER-15 and SAFE-300 reactors

    Science.gov (United States)

    Amiri, Benjamin W.; Poston, David I.

    2002-01-01

    The Heatpipe Power System (HPS) is a near-term low-cost space fission power system. As the U-235 fuel of the HPS is burned, higher actinides and fission products will be produced. This will cause changes in system reactivity, radioactivity, and decay power. One potential concern is that gaseous fission products may exert excessive pressure on the fuel pin cladding. To evaluate these issues, simulations were run in MONTEBURNS. MONTEBURNS is an automated tool that links the Monte Carlo transport code MCNP with the radioactive decay and burnup code ORIGEN2. This paper describes the results of these simulations, as well as how those results compare with the current experimental database of irradiated materials. .

  1. Simulation of triton burn-up in JET plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Loughlin, M.J.; Balet, B.; Jarvis, O.N.; Stubberfield, P.M. [Commission of the European Communities, Abingdon (United Kingdom). JET Joint Undertaking

    1994-07-01

    This paper presents the first triton burn-up calculations for JET plasmas using the transport code TRANSP. Four hot ion H-mode deuterium plasmas are studied. For these discharges, the 2.5 MeV emission rises rapidly and then collapses abruptly. This phenomenon is not fully understood but in each case the collapse phase is associated with a large impurity influx known as the ``carbon bloom``. The peak 14 MeV emission occurs at this time, somewhat later than that of the 2.5 MeV neutron peak. The present results give a clear indication that there are no significant departures from classical slowing down and spatial diffusion for tritons in JET plasmas. (authors). 7 refs., 3 figs., 1 tab.

  2. Burnup measurements on spent fuel elements of the RP-10 research reactor

    Energy Technology Data Exchange (ETDEWEB)

    Vela Mora, Mariano; Gallardo Padilla, Alberto; Palomino, Jose Luis Castro, E-mail: mvela@ipen.gob.p [Instituto Peruano de Energia Nuclear (IPEN/Peru), Lima (Peru). Grupo de Calculo, Analisis y Seguridad de Reactores; Terremoto, Luis Antonio Albiac, E-mail: laaterre@ipen.b [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil)

    2011-07-01

    This work describes the measurement, using nondestructive gamma-ray spectroscopy, of the average burnup attained by Material Testing Reactor (MTR) fuel elements irradiated in the RP-10 research reactor. Measurements were performed at the reactor storage pool area using {sup 137}Cs as the only burnup monitor, even for spent fuel elements with cooling times much shorter than two years. The experimental apparatus was previously calibrated in efficiency to obtain absolute average burnup values, which were compared against corresponding ones furnished by reactor physics calculations. The mean deviation between both values amounts to 6%. (author)

  3. Neutron Transport and Nuclear Burnup Analysis for the Laser Inertial Confinement Fusion-Fission Energy (LIFE) Engine

    Energy Technology Data Exchange (ETDEWEB)

    Kramer, K J; Latkowski, J F; Abbott, R P; Boyd, J K; Powers, J J; Seifried, J E

    2008-10-24

    Lawrence Livermore National Laboratory is currently developing a hybrid fusion-fission nuclear energy system, called LIFE, to generate power and burn nuclear waste. We utilize inertial confinement fusion to drive a subcritical fission blanket surrounding the fusion chamber. It is composed of TRISO-based fuel cooled by the molten salt flibe. Low-yield (37.5 MJ) targets and a repetition rate of 13.3 Hz produce a 500 MW fusion source that is coupled to the subcritical blanket, which provides an additional gain of 4-8, depending on the fuel. In the present work, we describe the neutron transport and nuclear burnup analysis. We utilize standard analysis tools including, the Monte Carlo N-Particle (MCNP) transport code, ORIGEN2 and Monteburns to perform the nuclear design. These analyses focus primarily on a fuel composed of depleted uranium not requiring chemical reprocessing or enrichment. However, other fuels such as weapons grade plutonium and highly-enriched uranium are also under consideration. In addition, we have developed a methodology using {sup 6}Li as a burnable poison to replace the tritium burned in the fusion targets and to maintain constant power over the lifetime of the engine. The results from depleted uranium analyses suggest up to 99% burnup of actinides is attainable while maintaining full power at 2GW for more than five decades.

  4. ThO{sub 2}-UO{sub 2} annular pins for high burnup fuels

    Energy Technology Data Exchange (ETDEWEB)

    Caner, Marc; Dugan, Edward T

    2000-06-01

    The main purpose of this work is to investigate the use of annular fuel pins (particularly pins containing thorium dioxide) for high burnup fuel. The following parameters were evaluated and compared between postulated mixed thorium-uranium dioxide standard and annular (9% void fraction) type fuel assemblies, as a function of burnup: the infinite multiplication factor, the uranium and plutonium isotopic compositions, the fuel temperature coefficient of reactivity and the conversion ratio. We used the SCALE-4.3 code system. The calculation method consisted in obtaining actinide and fission product number densities as functions of assembly burnup, by means of a 1-D transport calculation combined with a 0-D burnup calculation. These number densities were then used in a 3-D Monte Carlo code for obtaining k{sub {infinity}} from two-dimensional-symmetry 'snapshots'.

  5. Fission-gas release at extended burnups: effect of two-dimensional heat transfer

    Energy Technology Data Exchange (ETDEWEB)

    Tayal, M. [Atomic Energy of Canada Limited, Mississauga, Ontario (Canada); Yu, S.D. [Ryerson Polytechnic Univ., Toronto, Ontario (Canada); Lau, J.H.K

    2000-09-01

    To better simulate the performance of high-burnup CANDU fuel, a two-dimensional model for heat transfer between the pellet and the sheath has been added to the computer code ELESTRES. The model covers four relative orientations of the pellet and the sheath and their impacts on heat transfer and fission-gas release. The predictions of the code were compared to a database of 27 experimental irradiations involving extended burnups and normal burnups. The calculated values of fission gas release matched the measurements to an average of 94%. Thus, the two-dimensional heat transfer model increases the versatility of the ELESTRES code to better simulate fuels at normal as well as at extended burnups. (author)

  6. Determination of solute organic concentration in contaminated soils using a chemical-equilibrium soil column system

    DEFF Research Database (Denmark)

    Gamst, Jesper; Kjeldsen, Peter; Christensen, Thomas Højlund

    2007-01-01

    Groundwater risk assessment of contaminated soils implies determination of the solute concentration leaching out of the soil. Determination based on estimation techniques or simple experimental batch approach has proven inadequate. Two chemical equilibrium soil column leaching tests...... for determination of solute concentration in a contaminated soil were developed; (1) a chemical Equilibrium and Recirculation column test for Volatile organic chemicals (ER-V) and (2) a chemical Equilibrium and Recirculation column test for Hydrophobic organic chemicals (ER-H). The two test systems were evaluated...... to measure solute phase concentration of PAHs in contaminated soils. Overall a reliable and reproducable system for determining solute concentration of a wide range of organic compounds in contaminated soils has been developed....

  7. French investigations of high burnup effect on LOCA thermomecanical behavior. Part two. Oxidation and quenching experiments under simulated LOCA conditions with high burnup clad material

    Energy Technology Data Exchange (ETDEWEB)

    GrandJean, C. [IPSN, Cadarache (France); Cauvin, R.; Lebuffe, C. [EDF/SCMI, Chinon (France)] [and others

    1997-01-01

    In the frame of the high burnup fuel studies to support a possible extension of the current discharge burnup limit, experimental programs have been undertaken, jointly by EDF and IPSN in order to study the thermal-shock behavior of high burnup fuel claddings under typical LOCA conditions. The TAGUS program used unirradiated cladding samples, bare or bearing a pre-corrosion state simulating the end-of-life state of high burnup fuel claddings: the TAGCIR program used actually irradiated cladding samples taken from high burnup rods irradiated over 5 cycles in a commercial EDF PWR and having reached a rod burnup close to 60 GWd/tU. The thermal-shock failure tests consisted in oxidizing the cladding samples under steam flow, on both inner and outer faces or on the outer face alone, and subjecting them to a final water quench. The heating was provided by an inductive furnace the power of which being regulated through monitoring of the sample surface temperature with use of a single-wave optical pyrometer. Analysis of the irradiated tests (TAGCIR series) evidenced an increased oxidation rate as compared to similar tests on unirradiated samples. Results of the quenching tests series on unirradiated and irradiated samples are plotted under the usual presentation of failure maps relative to the oxidation parameters ECR (equivalent cladding reacted) or e{sub {beta}} (thickness of the remaining beta phase layer) as a function of the oxidation temperature. Comparison of the failure limits for irradiated specimens to those for unirradiated specimens indicates a lower brittleness under two side oxidation and possibly the opposite under one-side oxidation. The tentative analysis of the oxidation and quenching tests results on irradiated samples reveals the important role played by the hydrogen charged during in-reactor corrosion on the oxidation kinetics and the failure bearing capability of the cladding under LOCA transient conditions.

  8. Benchmark calculation of SCALE-PC 4.3 CSAS6 module and burnup credit criticality analysis

    Energy Technology Data Exchange (ETDEWEB)

    Shin, Hee Sung; Ro, Seong Gy; Shin, Young Joon; Kim, Ik Soo [Korea Atomic Energy Research Institute, Taejon (Korea)

    1998-12-01

    Calculation biases of SCALE-PC CSAS6 module for PWR spent fuel, metallized spent fuel and solution of nuclear materials have been determined on the basis of the benchmark to be 0.01100, 0.02650 and 0.00997, respectively. With the aid of the code system, nuclear criticality safety analysis for the spent fuel storage pool has been carried out to determine the minimum burnup of spent fuel required for safe storage. The criticality safety analysis is performed using three types of isotopic composition of spent fuel: ORIGEN2-calculated isotopic compositions; the conservative inventory obtained from the multiplication of ORIGEN2-calculated isotopic compositions by isotopic correction factors; the conservative inventory of only U, Pu and {sup 241}Am. The results show that the minimum burnup for three cases are 990,6190 and 7270 MWd/tU, respectively in the case of 5.0 wt% initial enriched spent fuel. (author). 74 refs., 68 figs., 35 tabs.

  9. Burnup analysis of the VVER-1000 reactor using thorium-based fuel

    Energy Technology Data Exchange (ETDEWEB)

    Korkmaz, Mehmet E.; Agar, Osman; Bueyueker, Eylem [Karamanoglu Mehmetbey Univ., Karaman (Turkey). Faculty of Kamil Ozdag Science

    2014-12-15

    This paper aims to investigate {sup 232}Th/{sup 233}U fuel cycles in a VVER-1000 reactor through calculation by computer. The 3D core geometry of VVER-1000 system was designed using the Serpent Monte Carlo 1.1.19 Code. The Serpent Code using parallel programming interface (Message Passing Interface-MPI), was run on a workstation with 12-core and 48 GB RAM. {sup 232}Th/{sup 235}U/{sup 238}U oxide mixture was considered as fuel in the core, when the mass fraction of {sup 232}Th was increased as 0.05-0.1-0.2-0.3-0.4 respectively, the mass fraction of {sup 238}U equally was decreased. In the system, the calculations were made for 3 000 MW thermal power. For the burnup analyses, the core is assumed to deplete from initial fresh core up to a burnup of 16 MWd/kgU without refuelling considerations. In the burnup calculations, a burnup interval of 360 effective full power days (EFPDs) was defined. According to burnup, the mass changes of the {sup 232}Th, {sup 233}U, {sup 238}U, {sup 237}Np, {sup 239}Pu, {sup 241}Am and {sup 244}Cm were evaluated, and also flux and criticality of the system were calculated in dependence of the burnup rate.

  10. Coolant Density and Control Blade History Effects in Extended BWR Burnup Credit

    Energy Technology Data Exchange (ETDEWEB)

    Ade, Brian J [ORNL; Marshall, William BJ J [ORNL; Bowman, Stephen M [ORNL; Gauld, Ian C [ORNL; Ilas, Germina [ORNL; Martinez-Gonzalez, Jesus S [ORNL

    2015-01-01

    Oak Ridge National Laboratory and the US Nuclear Regulatory Commission have initiated a multiyear project to investigate the application of burnup credit (BUC) for boiling water reactor (BWR) fuel in storage and transportation casks. This project includes two phases. The first phase investigates the applicability of peak reactivity methods currently used for spent fuel pools to spent fuel storage and transportation casks and the validation of reactivity (keff) calculations and predicted spent fuel compositions. The second phase focuses on extending BUC beyond peak reactivity. This paper documents work performed to date investigating some aspects of extended BUC. (The technical basis for application of peak reactivity methods to BWR fuel in storage and transportation systems is presented in a companion paper.) Two reactor operating parameters are being evaluated to establish an adequate basis for extended BWR BUC: (1) the effect of axial void profile and (2) the effect of control blade utilization during operation. A detailed analysis of core simulator data for one cycle of a modern operating BWR plant was performed to determine the range of void profiles and the variability of the profile experienced during irradiation. Although a single cycle does not provide complete data, the data obtained are sufficient to determine the primary effects and to identify conservative modeling approaches. These data were used in a study of the effect of axial void profile. The first stage of the study was determination of the necessary moderator density temporal fidelity in depletion modeling. After the required temporal fidelity was established, multiple void profiles were used to examine the effect on cask reactivity. The results of these studies are being used to develop recommendations for conservatively modeling the void profile effects for BWR depletion calculations. The second operational parameter studied was control blade history. Control blades are inserted in

  11. Technical Data to Justify Full Burnup Credit in Criticality Safety Licensing Analysis

    Energy Technology Data Exchange (ETDEWEB)

    Enercon Services, Inc.

    2011-03-14

    Enercon Services, Inc. (ENERCON) was requested under Task Order No.2 to identify scientific and technical data needed to benchmark and justify Full Burnup Credit, which adds 16 fission products and 4 minor actinides1 to Actinide-Only burnup credit. The historical perspective for Full Burnup Credit is discussed, and interviews of organizations participating in burnup credit activities are summarized as a basis for identifying additional data needs and making recommendation. Input from burnup credit participants representing two segments of the commercial nuclear industry is provided. First, the Electric Power Research Institute (EPRI) has been very active in the development of Full Burnup Credit, representing the interests of nuclear utilities in achieving capacity gains for storage and transport casks. EPRI and its utility customers are interested in a swift resolution of the validation issues that are delaying the implementation of Full Burnup Credit [EPRI 2010b]. Second, used nuclear fuel storage and transportation Cask Vendors favor improving burnup credit beyond Actinide-Only burnup credit, although their discussion of specific burnup credit achievements and data needs was limited citing business sensitive and technical proprietary concerns. While Cask Vendor proprietary items are not specifically identified in this report, the needs of all nuclear industry participants are reflected in the conclusions and recommendations of this report. In addition, Oak Ridge National Laboratory (ORNL) and Sandia National Laboratory (SNL) were interviewed for their input into additional data needs to achieve Full Burnup Credit. ORNL was very open to discussions of Full Burnup Credit, with several telecoms and a visit by ENERCON to ORNL. For many years, ORNL has provided extensive support to the NRC regarding burnup credit in all of its forms. Discussions with ORNL focused on potential resolutions to the validation issues for the use of fission products. SNL was helpful in

  12. High Burn-Up Spent Nuclear Fuel Vibration Integrity Study

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Jy-An John [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Wang, Hong [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Jiang, Hao [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Bevard, Bruce Balkcom [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Howard, Rob L [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Scaglione, John M [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2015-01-01

    The Oak Ridge National Laboratory (ORNL) has developed the cyclic integrated reversible-bending fatigue tester (CIRFT) approach to successfully demonstrate the controllable fatigue fracture on high burnup (HBU) spent nuclear fuel (SNF) in a normal vibration mode. CIRFT enables examination of the underlying mechanisms of SNF system dynamic performance. Due to the inhomogeneous composite structure of the SNF system, the detailed mechanisms of the pellet-pellet and pellet-clad interactions and the stress concentration effects at the pellet-pellet interface cannot be readily obtained from a CIRFT system measurement. Therefore, finite element analyses (FEAs) are used to translate the global moment-curvature measurement into local stress-strain profiles for further investigation. The major findings of CIRFT on the HBU SNF are as follows: SNF system interface bonding plays an important role in SNF vibration performance. Fuel structure contributes to SNF system stiffness. There are significant variations in stress and curvature of SNF systems during vibration cycles resulting from segment pellets and clad interactions. SNF failure initiates at the pellet-pellet interface region and appears to be spontaneous.

  13. Transport and Burnup Numerical Simulation on the Liquid Blanket Burnup of In-Zinerater%In-Zinerater液态包层输运燃耗数值模拟

    Institute of Scientific and Technical Information of China (English)

    师学明; 杨俊云; 刘成安

    2014-01-01

    Z-Pinch惯性约束聚变是未来一种有竞争力的能源候选方案。Z-Pinch驱动的聚变裂变混合堆可高效地嬗变反应堆乏燃料中分离出的超铀元素。对美国Sandia国家实验室提出的In-Zinerater混合堆概念进行了中子学分析和数值模拟。在三维输运燃耗耦合程序MCORGS中增加了处理在线添加燃料与去除裂变产物的功能,实现了对液态燃料燃耗过程的模拟。增加6Li丰度和燃料初装量保持寿期初反应性不变,可以减缓寿期内反应性下降趋势。逐步增加包层内超铀元素装量,可以控制整个寿期内反应性基本恒定。聚变功率取20 MW,通过反应性控制,5年内包层能量放大倍数在160∼180之间,氚增殖比在1.5∼1.7之间,优于In-Zinerater基准设计方案。%Z-Pinch Inertial confinement fusion is a competitive candidate for future energy solution. A fusion-fission hybrid driven by Z-Pinch can be used to transmute transuranic elements from spent fuels of reactors efficiently. Analysis and numerical simulation of blanket neutronics of In-Zinerater, which is a fusion-fission hybrid concept design in Sandia National Laboratories, is given in this paper. Modification to the three dimension transport and burnup code MCORGS are done, so as to simulate continuous feeding and continuous chemical processing of the liquid fuel. Different combination of initial enrichment of 6Li and fuels loading in the blanket are selected to keep the same reactivity at begin of core. By this way, the decreasing trend of reactivity at life of the core can be lowered. The reactivity can be maintained constant by increasing the fuel loading in the core gradually as the burnup deepens. Given a 20 MW fusion power, by reactivity control, the blanket energy multiplication is around 160∼180 and tritium breed ratio 1.5∼1.7 in 5 years, which is a better result than Sandia’s original design.

  14. Tritium release from EXOTIC-7 orthosilicate pebbles. Effect of burnup and contact with beryllium during irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Scaffidi-Argentina, F.; Werle, H. [Forschungszentrum Karlsruhe GmbH Technik und Umwelt (Germany). Inst. fuer Neutronenphysik und Reaktortechnik

    1998-03-01

    EXOTIC-7 was the first in-pile test with {sup 6}Li-enriched (50%) lithium orthosilicate (Li{sub 4}SiO{sub 4}) pebbles and with DEMO representative Li-burnup. Post irradiation examinations of the Li{sub 4}SiO{sub 4} have been performed at the Forschungszentrum Karlsruhe (FZK), mainly to investigate the tritium release kinetics as well as the effect of Li-burnup and/or contact with beryllium during irradiation. The release rate of Li{sub 4}SiO{sub 4} from pure Li{sub 4}SiO{sub 4} bed of capsule 28.1-1 is characterized by a broad main peak at about 400degC and by a smaller peak at about 800degC, and that from the mixed beds of capsule 28.2 and 26.2-1 shows again these two peaks, but most of the tritium is now released from the 800degC peak. This shift of release from low to high temperature may be due to the higher Li-burnup and/or due to contact with Be during irradiation. Due to the very difficult interpretation of the in-situ tritium release data, residence times have been estimated on the basis of the out-of-pile tests. The residence time for Li{sub 4}SiO{sub 4} from caps. 28.1-1 irradiated at 10% Li-burnup agrees quite well with that of the same material irradiated at Li-burnup lower than 3% in the EXOTIC-6 experiment. In spite of the observed shift in the release peaks from low to high temperature, also the residence time for Li{sub 4}SiO{sub 4} from caps. 26.2-1 irradiated at 13% Li-burnup agrees quite well with the data from EXOTIC-6 experiment. On the other hand, the residence time for Li{sub 4}SiO{sub 4} from caps. 28.2 (Li-burnup 18%) is about a factor 1.7-3.8 higher than that for caps. 26.2-1. Based on these data on can conclude that up to 13% Li-burnup neither the contact with beryllium nor the Li-burnup have a detrimental effect on the tritium release of Li{sub 4}SiO{sub 4} pebbles, but at 18% Li-burnup the residence time is increased by about a factor three. (J.P.N.)

  15. Assessment of the uncertainties of MULTICELL calculations by the OECD NEA UAM PWR pin cell burnup benchmark

    Energy Technology Data Exchange (ETDEWEB)

    Kereszturi, Andras [Hungarian Academy of Sciences, Budapest (Hungary). Centre for Energy Research; Panka, Istvan

    2015-09-15

    Defining precisely the burnup of the nuclear fuel is important from the point of view of core design calculations, safety analyses, criticality calculations (e.g. burnup credit calculations), etc. This paper deals with the uncertainties of MULTICELL calculations obtained by the solution of the OECD NEA UAM PWR pin cell burnup benchmark. In this assessment Monte-Carlo type statistical analyses are applied and the energy dependent covariance matrices of the cross-sections are taken into account. Additionally, the impact of the uncertainties of the fission yields is also considered. The target quantities are the burnup dependent uncertainties of the infinite multiplication factor, the two-group cross-sections, the reaction rates and the number densities of some isotopes up to the burnup of 60 MWd/kgU. In the paper the burnup dependent tendencies of the corresponding uncertainties and their sources are analyzed.

  16. Computational chemical imaging for cardiovascular pathology: chemical microscopic imaging accurately determines cardiac transplant rejection.

    Directory of Open Access Journals (Sweden)

    Saumya Tiwari

    Full Text Available Rejection is a common problem after cardiac transplants leading to significant number of adverse events and deaths, particularly in the first year of transplantation. The gold standard to identify rejection is endomyocardial biopsy. This technique is complex, cumbersome and requires a lot of expertise in the correct interpretation of stained biopsy sections. Traditional histopathology cannot be used actively or quickly during cardiac interventions or surgery. Our objective was to develop a stain-less approach using an emerging technology, Fourier transform infrared (FT-IR spectroscopic imaging to identify different components of cardiac tissue by their chemical and molecular basis aided by computer recognition, rather than by visual examination using optical microscopy. We studied this technique in assessment of cardiac transplant rejection to evaluate efficacy in an example of complex cardiovascular pathology. We recorded data from human cardiac transplant patients' biopsies, used a Bayesian classification protocol and developed a visualization scheme to observe chemical differences without the need of stains or human supervision. Using receiver operating characteristic curves, we observed probabilities of detection greater than 95% for four out of five histological classes at 10% probability of false alarm at the cellular level while correctly identifying samples with the hallmarks of the immune response in all cases. The efficacy of manual examination can be significantly increased by observing the inherent biochemical changes in tissues, which enables us to achieve greater diagnostic confidence in an automated, label-free manner. We developed a computational pathology system that gives high contrast images and seems superior to traditional staining procedures. This study is a prelude to the development of real time in situ imaging systems, which can assist interventionists and surgeons actively during procedures.

  17. Summary of high burnup fuel issues and NRC`s plan of action

    Energy Technology Data Exchange (ETDEWEB)

    Meyer, R.O.

    1997-01-01

    For the past two years the Office of Nuclear Regulatory Research has concentrated mostly on the so-called reactivity-initiated accidents -- the RIAs -- in this session of the Water Reactor Safety Information Meeting, but this year there is a more varied agenda. RIAs are, of course, not the only events of interest for reactor safety that are affected by extended burnup operation. Their has now been enough time to consider a range of technical issues that arise at high burnup, and a list of such issues being addressed in their research program is given here. (1) High burnup capability of the steady-state code (FRAPCON) used for licensing audit calculations. (2) General capability (including high burnup) of the transient code (FRAPTRAN) used for special studies. (3) Adequacy at high burnup of fuel damage criteria used in regulation for reactivity accidents. (4) Adequacy at high burnup of models and fuel related criteria used in regulation for loss-of-coolant accidents (LOCAs). (5) Effect of high burnup on fuel system damage during normal operation, including control rod insertion problems. A distinction is made between technical issues, which may or may not have direct licensing impacts, and licensing issues. The RIAs became a licensing issue when the French test in CABRI showed that cladding failures could occur at fuel enthalpies much lower than a value currently used in licensing. Fuel assembly distortion became a licensing issue when control rod insertion was affected in some operating plants. In this presentation, these technical issues will be described and the NRC`s plan of action to address them will be discussed.

  18. New high burnup fuel models for NRC`s licensing audit code, FRAPCON

    Energy Technology Data Exchange (ETDEWEB)

    Lanning, D.D.; Beyer, C.E.; Painter, C.L. [Pacific Northwest Laboratory, Richland, WA (United States)

    1996-03-01

    Fuel behavior models have recently been updated within the U.S. Nuclear Regulatory Commission steady-state FRAPCON code used for auditing of fuel vendor/utility-codes and analyses. These modeling updates have concentrated on providing a best estimate prediction of steady-state fuel behavior up to the maximum burnup level s of current data (60 to 65 GWd/MTU rod-average). A decade has passed since these models were last updated. Currently, some U.S. utilities and fuel vendors are requesting approval for rod-average burnups greater than 60 GWd/MTU; however, until these recent updates the NRC did not have valid fuel performance models at these higher burnup levels. Pacific Northwest Laboratory (PNL) has reviewed 15 separate effects models within the FRAPCON fuel performance code (References 1 and 2) and identified nine models that needed updating for improved prediction of fuel behavior at high burnup levels. The six separate effects models not updated were the cladding thermal properties, cladding thermal expansion, cladding creepdown, fuel specific heat, fuel thermal expansion and open gap conductance. Comparison of these models to the currently available data indicates that these models still adequately predict the data within data uncertainties. The nine models identified as needing improvement for predicting high-burnup behavior are fission gas release (FGR), fuel thermal conductivity (accounting for both high burnup effects and burnable poison additions), fuel swelling, fuel relocation, radial power distribution, fuel-cladding contact gap conductance, cladding corrosion, cladding mechanical properties and cladding axial growth. Each of the updated models will be described in the following sections and the model predictions will be compared to currently available high burnup data.

  19. Stream grazers determine their crawling direction on the basis of chemical and particulate microalgal cues.

    Science.gov (United States)

    Katano, Izumi; Doi, Hideyuki

    2014-01-01

    This study aimed to determine the association between herbivore behavior and cues from producers. We used stream grazer Glossosoma larvae and determined their crawling direction in relation to chemical and visual cues from microalgae. The experimental treatments included control (no cue), particulate (chemical and particulate cues), and dissolved (chemical cue) cues from microalgae. The experimental water samples were randomly placed into either arm of a Y-shaped channel, and the crawling direction of the grazers was determined. Although the grazers crawled toward the arm containing either particulate or dissolved cues, they preferred the arm with particulate cues. This suggested that grazers responded well to both particulate (i.e., drifting algal cells) and chemical (algal smell) cues, and that particulate cues were more important for foraging. In natural habitats, grazers detect cues from producers and change their behaviors to maintain a balance between top-down and bottom-up cues.

  20. Propagation of Nuclear Data Uncertainties for ELECTRA Burn-up Calculations

    Science.gov (United States)

    Sjöstrand, H.; Alhassan, E.; Duan, J.; Gustavsson, C.; Koning, A. J.; Pomp, S.; Rochman, D.; Österlund, M.

    2014-04-01

    The European Lead-Cooled Training Reactor (ELECTRA) has been proposed as a training reactor for fast systems within the Swedish nuclear program. It is a low-power fast reactor cooled by pure liquid lead. In this work, we propagate the uncertainties in 239Pu transport data to uncertainties in the fuel inventory of ELECTRA during the reactor lifetime using the Total Monte Carlo approach (TMC). Within the TENDL project, nuclear models input parameters were randomized within their uncertainties and 740 239Pu nuclear data libraries were generated. These libraries are used as inputs to reactor codes, in our case SERPENT, to perform uncertainty analysis of nuclear reactor inventory during burn-up. The uncertainty in the inventory determines uncertainties in: the long-term radio-toxicity, the decay heat, the evolution of reactivity parameters, gas pressure and volatile fission product content. In this work, a methodology called fast TMC is utilized, which reduces the overall calculation time. The uncertainty of some minor actinides were observed to be rather large and therefore their impact on multiple recycling should be investigated further. It was also found that, criticality benchmarks can be used to reduce inventory uncertainties due to nuclear data. Further studies are needed to include fission yield uncertainties, more isotopes, and a larger set of benchmarks.

  1. Propagation of nuclear data uncertainties for ELECTRA burn-up calculations

    CERN Document Server

    ostrand, H; Duan, J; Gustavsson, C; Koning, A; Pomp, S; Rochman, D; Osterlund, M

    2013-01-01

    The European Lead-Cooled Training Reactor (ELECTRA) has been proposed as a training reactor for fast systems within the Swedish nuclear program. It is a low-power fast reactor cooled by pure liquid lead. In this work, we propagate the uncertainties in Pu-239 transport data to uncertainties in the fuel inventory of ELECTRA during the reactor life using the Total Monte Carlo approach (TMC). Within the TENDL project the nuclear models input parameters were randomized within their uncertainties and 740 Pu-239 nuclear data libraries were generated. These libraries are used as inputs to reactor codes, in our case SERPENT, to perform uncertainty analysis of nuclear reactor inventory during burn-up. The uncertainty in the inventory determines uncertainties in: the long-term radio-toxicity, the decay heat, the evolution of reactivity parameters, gas pressure and volatile fission product content. In this work, a methodology called fast TMC is utilized, which reduces the overall calculation time. The uncertainty in the ...

  2. Model for evolution of grain size in the rim region of high burnup UO2 fuel

    Science.gov (United States)

    Xiao, Hongxing; Long, Chongsheng; Chen, Hongsheng

    2016-04-01

    The restructuring process of the high burnup structure (HBS) formation in UO2 fuel results in sub-micron size grains that accelerate the fission gas swelling, which will raise some concern over the safety of extended the nuclear fuel operation life in the reactor. A mechanistic and engineering model for evolution of grain size in the rim region of high burnup UO2 fuel based on the experimental observations of the HBS in the literature is presented. The model takes into account dislocations evolution under irradiation and the grain subdivision occur successively at increasing local burnup. It is assumed that the original driving force for subdivision of grain in the HBS of UO2 fuel is the production and accumulation of dislocation loops during irradiation. The dislocation loops can also be annealed through thermal diffusion when the temperature is high enough. The capability of this model is validated by the comparison with the experimental data of temperature threshold of subdivision, dislocation density and sub-grain size as a function of local burnup. It is shown that the calculated results of the dislocation density and subdivided grain size as a function of local burnup are in good agreement with the experimental results.

  3. Plutonium and Minor Actinides Recycling in Standard BWR using Equilibrium Burnup Model

    Directory of Open Access Journals (Sweden)

    Abdul Waris

    2008-03-01

    Full Text Available Plutonium (Pu and minor actinides (MA recycling in standard BWR with equilibrium burnup model has been studied. We considered the equilibrium burnup model as a simple time independent burnup method, which can manage all possible produced nuclides in any nuclear system. The equilibrium burnup code was bundled with a SRAC cell-calculation code to become a coupled cell-burnup calculation code system. The results show that the uranium enrichment for the criticality of the reactor, the amount of loaded fuel and the required natural uranium supply per year decrease for the Pu recycling and even much lower for the Pu & MA recycling case compared to those of the standard once-through BWR case. The neutron spectra become harder with the increasing number of recycled heavy nuclides in the reactor core. The total fissile rises from 4.77% of the total nuclides number density in the reactor core for the standard once-through BWR case to 6.64% and 6.72% for the Plutonium recycling case and the Pu & MA recycling case, respectively. The two later data may become the main basis why the required uranium enrichment declines and consequently diminishes the annual loaded fuel and the required natural uranium supply. All these facts demonstrate the advantage of plutonium and minor actinides recycling in BWR.

  4. Determination of kinetics and stoichiometry of chemical sulfide oxidation in wastewater of sewer networks

    DEFF Research Database (Denmark)

    Nielsen, A.H.; Vollertsen, Jes; Hvitved-jacobsen, Thorkild

    2003-01-01

    A method for determination of kinetics and stoichiometry of chemical sulfide oxidation by dissolved oxygen (DO) in wastewater is presented. The method was particularly developed to investigate chemical sulfide oxidation in wastewater of sewer networks at low DO concentrations. The method is based...... parameters determined in a triplicate experiment. The kinetic parameters determined in 25 experiments on wastewater samples from a single site exhibited good constancy with a variation of the same order of magnitude as the precision of the method. It was found that the stoichiometry of the reaction could...... be considered constant during the course of the experiments although intermediates accumulated. This was explained by an apparent slow oxidation rate of the intermediates. The method was capable of determining kinetics and stoichiometry of chemical sulfide oxidation at DO concentrations lower than 1 g of O2 m...

  5. Impact investigation of reactor fuel operating parameters on reactivity for use in burnup credit applications

    Science.gov (United States)

    Sloma, Tanya Noel

    When representing the behavior of commercial spent nuclear fuel (SNF), credit is sought for the reduced reactivity associated with the net depletion of fissile isotopes and the creation of neutron-absorbing isotopes, a process that begins when a commercial nuclear reactor is first operated at power. Burnup credit accounts for the reduced reactivity potential of a fuel assembly and varies with the fuel burnup, cooling time, and the initial enrichment of fissile material in the fuel. With regard to long-term SNF disposal and transportation, tremendous benefits, such as increased capacity, flexibility of design and system operations, and reduced overall costs, provide an incentive to seek burnup credit for criticality safety evaluations. The Nuclear Regulatory Commission issued Interim Staff Guidance 8, Revision 2 in 2002, endorsing burnup credit of actinide composition changes only; credit due to actinides encompasses approximately 30% of exiting pressurized water reactor SNF inventory and could potentially be increased to 90% if fission product credit were accepted. However, one significant issue for utilizing full burnup credit, compensating for actinide and fission product composition changes, is establishing a set of depletion parameters that produce an adequately conservative representation of the fuel's isotopic inventory. Depletion parameters can have a significant effect on the isotopic inventory of the fuel, and thus the residual reactivity. This research seeks to quantify the reactivity impact on a system from dominant depletion parameters (i.e., fuel temperature, moderator density, burnable poison rod, burnable poison rod history, and soluble boron concentration). Bounding depletion parameters were developed by statistical evaluation of a database containing reactor operating histories. The database was generated from summary reports of commercial reactor criticality data. Through depletion calculations, utilizing the SCALE 6 code package, several light

  6. Preliminary Neutronic Design of High Burnup OTTO Cycle Pebble Bed Reactor

    Directory of Open Access Journals (Sweden)

    T. Setiadipura

    2015-04-01

    Full Text Available The pebble bed type High Temperature Gas-cooled Reactor (HTGR is among the interesting nuclear reactor designs in terms of safety and flexibility for co-generation applications. In addition, the strong inherent safety characteristics of the pebble bed reactor (PBR which is based on natural mechanisms improve the simplicity of the PBR design, in particular for the Once-Through-Then-Out (OTTO cycle PBR design. One of the important challenges of the OTTO cycle PBR design, and nuclear reactor design in general, is improving the nuclear fuel utilization which is shown by attaining a higher burnup value. This study performed a preliminary neutronic design study of a 200 MWt OTTO cycle PBR with high burnup while fulfilling the safety criteria of the PBR design.The safety criteria of the design was represented by the per-fuel-pebble maximum power generation of 4.5 kW/pebble. The maximum burnup value was also limited by the tested maximum burnup value which maintained the integrity of the pebble fuel. Parametric surveys were performed to obtain the optimized parameters used in this study, which are the fuel enrichment, per-pebble heavy metal (HM loading, and the average axial speed of the fuel. An optimum design with burnup value of 131.1 MWd/Kg-HM was achieved in this study which is much higher compare to the burnup of the reference design HTR-MODUL and a previously proposed OTTO-cycle PBR design. This optimum design uses 17% U-235 enrichment with 4 g HM-loading per fuel pebble

  7. Review of Halden Reactor Project high burnup fuel data that can be used in safety analyses

    Energy Technology Data Exchange (ETDEWEB)

    Wiesenack, W. [OECD Halden Reactor Project (Norway)

    1996-03-01

    The fuels and materials testing programmes carried out at the OECD Halden Reactor Project are aimed at providing data in support of a mechanistic understanding of phenomena, especially as related to high burnup fuel. The investigations are focused on identifying long term property changes, and irradiation techniques and instrumentation have been developed over the years which enable to assess fuel behaviour and properties in-pile. The fuel-cladding gap has an influence on both thermal and mechanical behaviour. Improved gap conductance due to gap closure at high exposure is observed even in the case of a strong contamination with released fission gas. On the other hand, pellet-cladding mechanical interaction, which is measured with cladding elongation detectors and diameter gauges, is re-established after a phase with less interaction and is increasing. These developments are exemplified with data showing changes of fuel temperature, hydraulic diameter and cladding elongation with burnup. Fuel swelling and cladding primary and secondary creep have been successfully measured in-pile. They provide data for, e.g., the possible cladding lift-off to be accounted for at high burnup. Fuel conductivity degradation is observed as a gradual temperature increase with burnup. This affects stored heat, fission gas release and temperature dependent fuel behaviour in general. The Halden Project`s data base on fission gas release shows that the phenomenon is associated with an accumulation of gas atoms at the grain boundaries to a critical concentration before appreciable release occurs. This is accompanied by an increase of the surface-to-volume ratio measured in-pile in gas flow experiments. A typical observation at high burnup is also that a burst release of fission gas may occur during a power decrease. Gas flow and pressure equilibration experiments have shown that axial communication is severely restricted at high burnup.

  8. Post Irradiation Examination Plan for High-Burnup Demonstration Project Sister Rods

    Energy Technology Data Exchange (ETDEWEB)

    Scaglione, John M [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Montgomery, Rose [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Bevard, Bruce Balkcom [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2016-04-01

    This test plan describes the experimental work to be implemented by the U.S. Department of Energy (DOE) Office of Nuclear Energy (NE) to characterize high burnup (HBU) spent nuclear fuel (SNF) in conjunction with the High Burnup Dry Storage Cask Research and Development Project and serves to coordinate and integrate the multi-year experimental program to collect and develop data regarding the continued storage and eventual transport of HBU (i.e., >45 GWd/MTU) SNF. The work scope involves the development, performance, technical integration, and oversight of measurements and collection of relevant data, guided by analyses and demonstration of need.

  9. Fuel burnup calculation of Ghana MNSR using ORIGEN2 and REBUS3 codes.

    Science.gov (United States)

    Abrefah, R G; Nyarko, B J B; Fletcher, J J; Akaho, E H K

    2013-10-01

    Ghana Research Reactor-1 core is to be converted from HEU fuel to LEU fuel in the near future and managing the spent nuclear fuel is very important. A fuel depletion analysis of the GHARR-1 core was performed using ORIGEN2 and REBUS3 codes to estimate the isotopic inventory at end-of-cycle in order to help in the design of an appropriate spent fuel cask. The results obtained for both codes were consistent for U-235 burnup weight percent and Pu-239 build up as a result of burnup.

  10. Progress of the RIA experiments with high burnup fuels and their evaluation in JAERI

    Energy Technology Data Exchange (ETDEWEB)

    Ishijima, Kiyomi; Fuketa, Toyoshi [Japan Atomic Energy Research Institute, Ibaraki-ken (Japan)

    1997-01-01

    Recent results obtained in the NSRR power burst experiments with high burnup PWR fuel rods are described and discussed in this paper. Data concerning test condition, transient records during pulse irradiation and post irradiation examination are described. Another high burnup PWR fuel rod failed in the test HBO-5 at the slightly higher energy deposition than that in the test HBO-1. The failure mechanism of the test HBO-5 is the same as that of the test HBO-1, that is, hydride-assisted PCMI. Some influence of the thermocouples welding on the failure behavior of the HBO-5 rod was observed.

  11. Method for Non-Invasive Determination of Chemical Properties of Aqueous Solutions

    Science.gov (United States)

    Todd, Paul W. (Inventor); Jones, Alan (Inventor); Thomas, Nathan A. (Inventor)

    2016-01-01

    A method for non-invasively determining a chemical property of an aqueous solution is provided. The method provides the steps of providing a colored solute having a light absorbance spectrum and transmitting light through the colored solute at two different wavelengths. The method further provides the steps of measuring light absorbance of the colored solute at the two different transmitted light wavelengths, and comparing the light absorbance of the colored solute at the two different wavelengths to determine a chemical property of an aqueous solution.

  12. ROC-curve approach for determining the detection limit of a field chemical sensor.

    Science.gov (United States)

    Fraga, Carlos G; Melville, Angela M; Wright, Bob W

    2007-03-01

    The detection limit of a field chemical sensor under realistic operating conditions is determined by receiver operator characteristic (ROC) curves. The chemical sensor is an ion mobility spectrometry (IMS) device used to detect a chemical marker in diesel fuel. The detection limit is the lowest concentration of the marker in diesel fuel that obtains the desired true-positive probability (TPP) and false-positive probability (FPP). A TPP of 0.90 and a FPP of 0.10 were selected as acceptable levels for the field sensor in this study. The detection limit under realistic operating conditions is found to be between 2 to 4 ppm (w/w). The upper value is the detection limit under challenging conditions. The ROC-based detection limit is very reliable because it is determined from multiple and repetitive sensor analyses under realistic circumstances. ROC curves also clearly illustrate and gauge the effects data preprocessing and sampling environments have on the sensor's detection limit.

  13. Indirect Determination of Chemical Composition and Fuel Characteristics of Solid Waste

    DEFF Research Database (Denmark)

    Riber, Christian; Christensen, Thomas Højlund

    Determination of chemical composition of solid waste can be performed directly or indirectly by analysis of combustion products. The indirect methodology instrumented by a full scale incinerator is the only method that can conclude on elements in trace concentrations. These elements are of great...... interest in evaluating waste management options by for example LCA modeling. A methodology description of indirect determination of chemical composition and fuel properties of waste is provided and validated by examples. Indirect analysis of different waste types shows that the chemical composition...... of toxic elements is shown exemplified by Hg. The average concentration is evaluated to be affected by three occurrences; background, rare items and very rare items (1/800 tonnes), that are all important to the Hg average concentration....

  14. Chemical modifiers in electrothermal atomic absorption determination of Platinum and Palladium containing preparations in blood serum

    Directory of Open Access Journals (Sweden)

    Аntonina Alemasova

    2012-11-01

    Full Text Available The biological liquids matrixes influence on the characteristic masses and repeatability of Pt and Pd electrothermal atomic absorption spectroscopy (ETAAS determination was studied. The chemical modifiers dimethylglyoxime and ascorbic acid for matrix interferences elimination and ETAAS results repeatability improvement were proposed while bioliquids ETAAS analysis, and their action mechanism was discussed.

  15. Methods for the Determination of Chemical Substances in Marine and Estuarine Environmental Matrices - 2nd Edition

    Science.gov (United States)

    This NERL-Cincinnati publication, “Methods for the Determination of Chemical Substances in Marine and Estuarine Environmental Matrices - 2nd Edition” was prepared as the continuation of an initiative to gather together under a single cover a compendium of standardized laborato...

  16. Determination of the chemical composition of human renal stones with MDCT: influence of the surrounding media

    Science.gov (United States)

    Grosjean, Romain; Sauer, Benoît; Guerra, Rui; Kermarrec, Isabelle; Ponvianne, Yannick; Winninger, Daniel; Daudon, Michel; Blum, Alain; Felblinger, Jacques; Hubert, Jacques

    2007-03-01

    The selection of the optimal treatment method for urinary stones diseases depends on the chemical composition of the stone and its corresponding fragility. MDCT has become the most used modality to determine rapidly and accurately the presence of stones when evaluating urinary lithiasis treatment. That is why several studies have tempted to determine the chemical composition of the stones based on the stone X-ray attenuation in-vitro and invivo. However, in-vitro studies did not reproduce the normal abdominal wall and fat, making uncertain the standardization of the obtained values. The aim of this study is to obtain X-ray attenuation values (in Hounsfield Units) of the six more frequent types of human renal stones (n=217) and to analyze the influence of the surrounding media on these values. The stones were first placed in a jelly, which X-ray attenuation is similar to that of the human kidney (30 HU at 120 kV). They were then stuck on a grid, scanned in a water tank and finally scanned in the air. Significant differences in CT-attenuation values were obtained with the three different surrounding media (jelly, water, air). Furthermore there was an influence of the surrounding media and consequently discrepancies in determination of the chemical composition of the renal stones. Consequently, CT-attenuation values found in in-vitro studies cannot really be considered as a reference for the determination of the chemical composition except if the used phantom is an anthropomorphic one.

  17. Temperature and Burnup Correlated FCCI in U-10Zr Metallic Fuel

    Energy Technology Data Exchange (ETDEWEB)

    William J. Carmack

    2012-05-01

    Metallic fuels are proposed for use in advanced sodium cooled fast reactors. The experience basis for metallic fuels is extensive and includes development and qualification of fuels for the Experimental Breeder Reactor I, the Experimental Breeder Reactor II, FERMI-I, and the Fast Flux Test Facility (FFTF) reactors. Metallic fuels provide a number of advantages over other fuel types in terms of fabricability, performance, recyclability, and safety. Key to the performance of all nuclear fuel systems is the resistance to “breach” and subsequent release of fission products and fuel constituents to the primary coolant system of the nuclear power plant. In metallic fuel, the experience is that significant fuel-cladding chemical (FCCI) interaction occurs and becomes prevalent at high power-high temperature operation and ultimately leads to fuel pin breach and failure. Empirical relationships for metallic fuel pin failure have been developed from a large body of in-pile and out of pile research, development, and experimentation. It has been found that significant in-pile acceleration of the FCCI rate is experienced over similar condition out-of-pile experiments. The study of FCCI in metallic fuels has led to the quantification of in-pile failure rates to establish an empirical time and temperature dependent failure limit for fuel elements. Up until now the understanding of FCCI layer formation has been limited to data generated in EBR-II experiments. This dissertation provides new FCCI data extracted from the MFF-series of metallic fuel irradiations performed in the FFTF. These fuel assemblies contain valuable information on the formation of FCCI in metallic fuels at a variety of temperature and burnup conditions and in fuel with axial fuel height three times longer than EBR-II experiments. The longer fuel column in the FFTF and the fuel pins examined have significantly different flux, power, temperature, and FCCI profiles than that found in similar tests conducted in

  18. Comparison between SERPENT and MONTEBURNS codes applied to burnup calculations of a GFR-like configuration

    Energy Technology Data Exchange (ETDEWEB)

    Chersola, Davide [GeNERG – DIME/TEC, University of Genova, via all’Opera Pia 15/a, 16145 Genova (Italy); INFN, via Dodecaneso 33, 16146 Genova (Italy); Lomonaco, Guglielmo, E-mail: guglielmo.lomonaco@unige.it [GeNERG – DIME/TEC, University of Genova, via all’Opera Pia 15/a, 16145 Genova (Italy); INFN, via Dodecaneso 33, 16146 Genova (Italy); Marotta, Riccardo [GeNERG – DIME/TEC, University of Genova, via all’Opera Pia 15/a, 16145 Genova (Italy); INFN, via Dodecaneso 33, 16146 Genova (Italy); Mazzini, Guido [Centrum výzkumu Řež (Research Centre Rez), Husinec-Rez, cp. 130, 25068 Rez (Czech Republic)

    2014-07-01

    Highlights: • MC codes are widely adopted to analyze nuclear facilities, including GEN-IV reactors. • Burnup calculations are an efficient tool to test neutronic Monte Carlo codes. • In this comparison the used codes show some differences but a good agreement exists. - Abstract: This paper presents the comparison between two Monte Carlo based burnup codes: SERPENT and MONTEBURNS. Monte Carlo codes are fully and worldwide adopted to perform analyses on nuclear facilities, also in the frame of Generation IV advanced reactors simulations. Thus, faster and most powerful calculation codes are needed with the aim to analyze complex geometries and specific neutronic behaviors. Burnup calculations are an efficient tool to test neutronic Monte Carlo codes: indeed these calculations couple transport and depletion procedures, so that neutronic reactor behavior can be simulated in its totality. Comparisons have been performed on a configuration representing the Allegro MOX 75 MW{sub th} reactor proposed by the European GoFastR (Gas-cooled Fast Reactor) Project in the frame of the 7th Euratom Framework Program. Although in burnup and criticality comparisons the codes used in simulations show different calculation times and some differences in amounts and in precision (in term of statistical errors), a reasonably good agreement between them exists.

  19. Computational simulation of fuel burnup estimation for research reactors plate type

    Energy Technology Data Exchange (ETDEWEB)

    Santos, Nadia Rodrigues dos, E-mail: nadiasam@gmail.com [Instituto Federal de Educacao, Ciencia e Tecnologia do Rio de Janeiro (IFRJ), Paracambi, RJ (Brazil); Lima, Zelmo Rodrigues de; Moreira, Maria de Lourdes, E-mail: zrlima@ien.gov.br, E-mail: malu@ien.gov.br [Instituto de Engenharia Nuclear (IEN/CNEN-RJ), Rio de Janeiro, RJ (Brazil)

    2015-07-01

    The aim of this study is to estimate the spatial fuel burnup, through computational simulation, in two research reactors plate type, loaded with dispersion fuel: the benchmark Material Test Research - International Atomic Energy Agency (MTR-IAEA) and a typical multipurpose reactor (MR). The first composed of plates with uranium oxide dispersed in aluminum (UAlx-Al) and a second composed with uranium silicide (U{sub 3}Si{sub 2}) dispersed in aluminum. To develop this work we used the deterministic code, WIMSD-5B, which performs the cell calculation solving the neutron transport equation, and the DF3DQ code, written in FORTRAN, which solves the three-dimensional neutron diffusion equation using the finite difference method. The methodology used was adequate to estimate the spatial fuel burnup , as the results was in accordance with chosen benchmark, given satisfactorily to the proposal presented in this work, even showing the possibility to be applied to other research reactors. For future work are suggested simulations with other WIMS libraries, other settings core and fuel types. Comparisons the WIMSD-5B results with programs often employed in fuel burnup calculations and also others commercial programs, are suggested too. Another proposal is to estimate the fuel burnup, taking into account the thermohydraulics parameters and the Xenon production. (author)

  20. Fission Gas Release in LWR Fuel Rods Exhibiting Very High Burn-Up

    DEFF Research Database (Denmark)

    Carlsen, H.

    1980-01-01

    Two UO2Zr BWR type test fuel rods were irradiated to a burn-up of about 38000 MWd/tUO2. After non-destructive characterization, the fission gas released to the internal free volume was extracted and analysed. The irradiation was simulated by means of the Danish fuel performance code WAFER-2, which...

  1. Reactivity effect of spent fuel depending on burn-up history

    Energy Technology Data Exchange (ETDEWEB)

    Hayashi, Takafumi [Nagoya Univ., Nagoya, Aichi (Japan); Suyama, Kenya; Nomura, Yasushi [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment; Mochizuki, Hiroki [The Japan Research Institute, Ltd., Tokyo (Japan)

    2001-06-01

    It is well known that a composition of spent fuel depends on various parameter changes throughout a burn-up period. In this study we aimed at the boron concentration and its change, the coolant temperature and its spatial distribution, the specific power, the operation mode, and the duration of inspection, because the effects due to these parameters have not been analyzed in detail. The composition changes of spent fuel were calculated by using the burn-up code SWAT, when the parameters mentioned above varied in the range of actual variations. Moreover, to estimate the reactivity effect caused by the composition changes, the criticality calculations for an infinite array of spent fuel were carried out with computer codes SRAC95 or MVP. In this report the reactivity effects were arranged from the viewpoint of what parameters gave more positive reactivity effect. The results obtained through this study are useful to choose the burn-up calculation model when we take account of the burn-up credit in the spent fuel management. (author)

  2. Dependence of heavy metal burnup on nuclear data libraries for fast reactors

    CERN Document Server

    Ohki, S

    2003-01-01

    Japan Nuclear Cycle Development Institute (JNC) is considering the highly burnt fuel as well as the recycling of minor actinide (MA) in the development of commercialized fast reactor cycle systems. Higher accuracy in burnup calculation is going to be required for higher mass plutonium isotopes ( sup 2 sup 4 sup 0 Pu, etc.) and MA nuclides. In the framework of research and development aiming at the validation and necessary improvements of fast reactor burnup calculation, we investigated the differences among the burnup calculation results with the major nuclear data libraries: JEF-2.2, ENDF/B-VI Release 5, JENDL-3.2, and JENDL-3.3. We focused on the heavy metal nuclides such as plutonium and MA in the central core region of a conventional sodium-cooled fast reactor. For main heavy metal nuclides ( sup 2 sup 3 sup 5 U, sup 2 sup 3 sup 8 U, sup 2 sup 3 sup 9 Pu, sup 2 sup 4 sup 0 Pu, and sup 2 sup 4 sup 1 Pu), number densities after 1-cycle burnup did not change over one or two percent. Library dependence was re...

  3. Oxygen potential measurements in high burnup LWR U0 2 fuel

    Science.gov (United States)

    Matzke, Hj.

    1995-05-01

    A miniature solid state galvanic cell was used to measure the oxygen potential Δ overlineG( O2) of reactor irradiated U0 2 fuel at different burnups in the range of 28 to ⩾ 150 GWd d/t M. This very high burnup was achieved in the rim region of a fuel with a cross section average burnup of 75 GWd d/t M. The fuels had different enrichments and therefore different contributions of fission of 235U and 239Pu. The temperature range covered was 900 to 1350 K. None of the fuels showed a significant oxidation. Rather, if allowance is made for the dissolved rare earth fission products and the Pu formed during irradiation, some of the fuels were very slightly substoichiometric and the highest possible degree of oxidation corresponded to U0 2.001. In general, the Δ overlineG( O2) at 750°C was about -400 kJ/mol, corresponding to the Δ overlineG( O2) of the reaction Mo + O 2 → MoO 2. The implication of these results which are in contrast to commonly assumed ideas that U0 2 fuel oxidizes due to burnup, are discussed and the importance of the fission product Mo and of the zircaloy clad as oxygen buffers is outlined.

  4. Thermal properties of U–Mo alloys irradiated to moderate burnup and power

    Energy Technology Data Exchange (ETDEWEB)

    Burkes, Douglas E., E-mail: Douglas.Burkes@pnnl.gov; Casella, Andrew M.; Casella, Amanda J.; Buck, Edgar C.; Pool, Karl N.; MacFarlan, Paul J.; Edwards, Matthew K.; Smith, Frances N.

    2015-09-15

    Highlights: • Thermal properties of irradiated U–Mo alloy monolithic fuel samples were measured. • Density, thermal diffusivity, and thermal conductivity are influenced by increasing burnup. • U–Mo chemistry and specific heat capacity was not as sensitive to increasing burnup. • Thermal conductivity decreased approximately 45% for a fission density of 4.52 × 10{sup 21} fissions cm{sup −3} at 200 °C. • An empirical model developed previously agrees well with the experimental measurements. - Abstract: A variety of physical and thermal property measurements as a function of temperature and fission density were performed on irradiated U–Mo alloy monolithic fuel samples with a Zr diffusion barrier and clad in aluminum alloy 6061. The U–Mo alloy density, thermal diffusivity, and thermal conductivity are strongly influenced by increasing burnup, mainly as the result of irradiation induced recrystallization and fission gas bubble formation and coalescence. U–Mo chemistry, specifically Mo content, and specific heat capacity was not as sensitive to increasing burnup. Measurements indicated that thermal conductivity of the U–Mo alloy decreased approximately 30% for a fission density of 3.30 × 10{sup 21} fissions cm{sup −3} and approximately 45% for a fission density of 4.52 × 10{sup 21} fissions cm{sup −3} from unirradiated values at 200 °C. An empirical thermal conductivity degradation model developed previously and summarized here agrees well with the experimental measurements.

  5. A simple gamma spectrometry method for evaluating the burnup of MTR-type HEU fuel elements

    Science.gov (United States)

    Makmal, T.; Aviv, O.; Gilad, E.

    2016-10-01

    A simple method for the evaluation of the burnup of a materials testing reactor (MTR) fuel element by gamma spectrometry is presented. The method was applied to a highly enriched uranium MTR nuclear fuel element that was irradiated in a 5 MW pool-type research reactor for a total period of 34 years. The experimental approach is based on in-situ measurements of the MTR fuel element in the reactor pool by a portable high-purity germanium detector located in a gamma cell. To corroborate the method, analytical calculations (based on the irradiation history of the fuel element) and computer simulations using a dedicated fuel cycle burnup code ORIGEN2 were performed. The burnup of the MTR fuel element was found to be 52.4±8.8%, which is in good agreement with the analytical calculations and the computer simulations. The method presented here is suitable for research reactors with either a regular or an irregular irradiation regime and for reactors with limited infrastructure and/or resources. In addition, its simplicity and the enhanced safety it confers may render this method suitable for IAEA inspectors in fuel element burnup assessments during on-site inspections.

  6. Parametric Study of the Effect of Burnable Poison Rods for PWR Burnup Credit

    Energy Technology Data Exchange (ETDEWEB)

    Wagner, J.C.

    2001-09-28

    The Interim Staff Guidance on burnup credit (ISG-8) issued by the United States Nuclear Regulatory Commission's (U.S. NRC) Spent Fuel Project Office recommends restricting the use of burnup credit to assemblies that have not used burnable absorbers. This recommended restriction eliminates a large portion of the currently discharged spent fuel assemblies from cask loading, and thus severely limits the practical usefulness of burnup credit. In the absence of readily available information on burnable poison rod (BPR) design specifications and usage in U.S. pressurized-water-reactors (PWRs), and the subsequent reactivity effect of BPR exposure on discharged spent nuclear fuel (SNF), NRC staff has indicated a need for additional information in these areas. In response, this report presents a parametric study of the effect of BPR exposure on the reactivity of SNF for various BPR designs, fuel enrichments, and exposure conditions, and documents BPR design specifications. Trends in the reactivity effects of BPRs are established with infinite pin-cell and assembly array calculations with the SCALE and HELIOS code packages, respectively. Subsequently, the reactivity effects of BPRs for typical initial enrichment and burnup combinations are quantified based on three-dimensional (3-D) KENO V.a Monte Carlo calculations with a realistic rail-type cask designed for burnup credit. The calculations demonstrate that the positive reactivity effect due to BPR exposure increases nearly linearly with burnup and is dependent on the number, poison loading, and design of the BPRs and the initial fuel enrichment. Expected typical reactivity increases, based on one-cycle BPR exposure, were found to be less than 1% {Delta}k. Based on the presented analysis, guidance is offered on an appropriate approach for calculating bounding SNF isotopic data for assemblies exposed to BPRs. Although the analyses do not address the issue of validation of depletion methods for assembly designs with BPRs

  7. k{sub 0}-INAA for determining chemical elements in bird feathers

    Energy Technology Data Exchange (ETDEWEB)

    Franca, Elvis J., E-mail: ejfranca@usp.b [CENA/USP, Centro de Energia Nuclear na Agricultura, Universidade of Sao Paulo, P.O. Box 97, 13400-970, Piracicaba, SP (Brazil); Fernandes, Elisabete A.N.; Fonseca, Felipe Y. [CENA/USP, Centro de Energia Nuclear na Agricultura, Universidade of Sao Paulo, P.O. Box 97, 13400-970, Piracicaba, SP (Brazil); Antunes, Alexsander Z. [IF, Instituto Florestal do Estado de Sao Paulo, Rua do Horto 931, Horto Florestal 02377-000, Sao Paulo, SP (Brazil); Bardini Junior, Claudiney; Bacchi, Marcio A.; Rodrigues, Vanessa S.; Cavalca, Isabel P.O. [CENA/USP, Centro de Energia Nuclear na Agricultura, Universidade of Sao Paulo, P.O. Box 97, 13400-970, Piracicaba, SP (Brazil)

    2010-10-11

    The k{sub 0}-method instrumental neutron activation analysis (k{sub 0}-INAA) was employed for determining chemical elements in bird feathers. A collection was obtained taking into account several bird species from wet ecosystems in diverse regions of Brazil. For comparison reason, feathers were actively sampled in a riparian forest from the Marins Stream, Piracicaba, Sao Paulo State, using mist nets specific for capturing birds. Biological certified reference materials were used for assessing the quality of analytical procedure. Quantification of chemical elements was performed using the k{sub 0}-INAA Quantu Software. Sixteen chemical elements, including macro and micronutrients, and trace elements, have been quantified in feathers, in which analytical uncertainties varied from 2% to 40% depending on the chemical element mass fraction. Results indicated high mass fractions of Br (max=7.9 mg kg{sup -1}), Co (max=0.47 mg kg{sup -1}), Cr (max=68 mg kg{sup -1}), Hg (max=2.79 mg kg{sup -1}), Sb (max=0.20 mg kg{sup -1}), Se (max=1.3 mg kg{sup -1}) and Zn (max=192 mg kg{sup -1}) in bird feathers, probably associated with the degree of pollution of the areas evaluated. In order to corroborate the use of k{sub 0}-INAA results in biomonitoring studies using avian community, different factor analysis methods were used to check chemical element source apportionment and locality clustering based on feather chemical composition.

  8. EDXRF for determination of chemical elements in the beetle Alphitobius diaperinus

    Energy Technology Data Exchange (ETDEWEB)

    Cantinha, Rebeca S.; Farias, Emerson E.G. de; Magalhaes, Marcelo L.R. de; Franca, Elvis J. de, E-mail: rebecanuclear@gmail.com, E-mail: emersonemiliano@yahoo.com.br, E-mail: marcelo_rlm@hotmail.com, E-mail: ejfranca@cnen.gov.br [Centro Regional de Ciencias Nucleares do Nordeste (CRCN-NE/CNEN-PE), Recife, PE (Brazil); Cunha, Franklin M. da; Zacarias, Vyvyane L., E-mail: ukento@yahoo.com.br, E-mail: vyvyanebiologicas@gmail.com [Universidade Federal Rural de Pernambuco (UFRPE), Recife, PE (Brazil)

    2015-07-01

    Energy Dispersion X-Ray Fluorescence (EDXRF) spectrometry has been widely employed for chemical element determination of biological matrices, including insects. The beetle Alphitobius diaperinus is a major problem in poultry production, thereby infesting poultry litter and stored grains. Up to now, little is known about the behavior, physiology and environmental interactions of this insect. In this paper, EDXRF was applied to quantify the main chemical elements in A. diaperinus. For the quality of the analytical protocol, certified reference materials produced by National Institute of Standards and Technology - NIST were analyzed together with the samples. The technique was able to quantify Cl, P, S and Zn in this insect, presenting no significant variation at the 95% confidence level among the repetitions (n = 4). A different pattern of chemical element accumulation in this beetle was noticed compared to other Coleoptera species, in which the concentration of the chemical elements were markedly lower in A. diaperinus, probably associated to the restricted availability of chemical elements in food. Since no result has been found in the literature before, A. diaperinus was firstly chemically characterized in this paper. (author)

  9. Chiral random matrix model at finite chemical potential: Characteristic determinant and edge universality

    Directory of Open Access Journals (Sweden)

    Yizhuang Liu

    2016-08-01

    Full Text Available We derive an exact formula for the stochastic evolution of the characteristic determinant of a class of deformed Wishart matrices following from a chiral random matrix model of QCD at finite chemical potential. In the WKB approximation, the characteristic determinant describes a sharp droplet of eigenvalues that deforms and expands at large stochastic times. Beyond the WKB limit, the edges of the droplet are fuzzy and described by universal edge functions. At the chiral point, the characteristic determinant in the microscopic limit is universal. Remarkably, the physical chiral condensate at finite chemical potential may be extracted from current and quenched lattice Dirac spectra using the universal edge scaling laws, without having to solve the QCD sign problem.

  10. Determination of Gibbs energies of formation in aqueous solution using chemical engineering tools.

    Science.gov (United States)

    Toure, Oumar; Dussap, Claude-Gilles

    2016-08-01

    Standard Gibbs energies of formation are of primary importance in the field of biothermodynamics. In the absence of any directly measured values, thermodynamic calculations are required to determine the missing data. For several biochemical species, this study shows that the knowledge of the standard Gibbs energy of formation of the pure compounds (in the gaseous, solid or liquid states) enables to determine the corresponding standard Gibbs energies of formation in aqueous solutions. To do so, using chemical engineering tools (thermodynamic tables and a model enabling to predict activity coefficients, solvation Gibbs energies and pKa data), it becomes possible to determine the partial chemical potential of neutral and charged components in real metabolic conditions, even in concentrated mixtures.

  11. Chiral random matrix model at finite chemical potential: Characteristic determinant and edge universality

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Yizhuang, E-mail: yizhuang.liu@stonybrook.edu [Department of Physics and Astronomy, Stony Brook University, Stony Brook, NY 11794-3800 (United States); Nowak, Maciej A., E-mail: maciej.a.nowak@uj.edu.pl [M. Smoluchowski Institute of Physics and Mark Kac Complex Systems Research Center, Jagiellonian University, PL-30348 Krakow (Poland); Zahed, Ismail, E-mail: ismail.zahed@stonybrook.edu [Department of Physics and Astronomy, Stony Brook University, Stony Brook, NY 11794-3800 (United States)

    2016-08-15

    We derive an exact formula for the stochastic evolution of the characteristic determinant of a class of deformed Wishart matrices following from a chiral random matrix model of QCD at finite chemical potential. In the WKB approximation, the characteristic determinant describes a sharp droplet of eigenvalues that deforms and expands at large stochastic times. Beyond the WKB limit, the edges of the droplet are fuzzy and described by universal edge functions. At the chiral point, the characteristic determinant in the microscopic limit is universal. Remarkably, the physical chiral condensate at finite chemical potential may be extracted from current and quenched lattice Dirac spectra using the universal edge scaling laws, without having to solve the QCD sign problem.

  12. Chiral Random Matrix Model at Finite Chemical Potential: Characteristic Determinant and Edge Universality

    CERN Document Server

    Liu, Yizhuang; Zahed, Ismail

    2016-01-01

    We derive an exact formula for the stochastic evolution of the characteristic determinant of a class of deformed Wishart matrices following from a chiral random matrix model of QCD at finite chemical potential. In the WKB approximation, the characteristic determinant describes a sharp droplet of eigenvalues that deforms and expands at large stochastic times. Beyond the WKB limit, the edges of the droplet are fuzzy and described by universal edge functions. At the chiral point, the characteristic determinant in the microscopic limit is universal. Remarkably, the physical chiral condensate at finite chemical potential may be extracted from current and quenched lattice Dirac spectra using the universal edge scaling laws, without having to solve the QCD sign problem.

  13. Application of Genetic Algorithm methodologies in fuel bundle burnup optimization of Pressurized Heavy Water Reactor

    Energy Technology Data Exchange (ETDEWEB)

    Jayalal, M.L., E-mail: jayalal@igcar.gov.in [Electronics, Instrumentation and Radiological Safety Group (EIRSG), Indira Gandhi Centre for Atomic Research (IGCAR), Kalpakkam, Tamil Nadu (India); Ramachandran, Suja [Electronics, Instrumentation and Radiological Safety Group (EIRSG), Indira Gandhi Centre for Atomic Research (IGCAR), Kalpakkam, Tamil Nadu (India); Rathakrishnan, S. [Reactor Physics Section, Madras Atomic Power Station (MAPS), Kalpakkam, Tamil Nadu (India); Satya Murty, S.A.V. [Electronics, Instrumentation and Radiological Safety Group (EIRSG), Indira Gandhi Centre for Atomic Research (IGCAR), Kalpakkam, Tamil Nadu (India); Sai Baba, M. [Resources Management Group (RMG), Indira Gandhi Centre for Atomic Research (IGCAR), Kalpakkam, Tamil Nadu (India)

    2015-01-15

    Highlights: • We study and compare Genetic Algorithms (GA) in the fuel bundle burnup optimization of an Indian Pressurized Heavy Water Reactor (PHWR) of 220 MWe. • Two Genetic Algorithm methodologies namely, Penalty Functions based GA and Multi Objective GA are considered. • For the selected problem, Multi Objective GA performs better than Penalty Functions based GA. • In the present study, Multi Objective GA outperforms Penalty Functions based GA in convergence speed and better diversity in solutions. - Abstract: The work carried out as a part of application and comparison of GA techniques in nuclear reactor environment is presented in the study. The nuclear fuel management optimization problem selected for the study aims at arriving appropriate reference discharge burnup values for the two burnup zones of 220 MWe Pressurized Heavy Water Reactor (PHWR) core. Two Genetic Algorithm methodologies namely, Penalty Functions based GA and Multi Objective GA are applied in this study. The study reveals, for the selected problem of PHWR fuel bundle burnup optimization, Multi Objective GA is more suitable than Penalty Functions based GA in the two aspects considered: by way of producing diverse feasible solutions and the convergence speed being better, i.e. it is capable of generating more number of feasible solutions, from earlier generations. It is observed that for the selected problem, the Multi Objective GA is 25.0% faster than Penalty Functions based GA with respect to CPU time, for generating 80% of the population with feasible solutions. When average computational time of fixed generations are considered, Penalty Functions based GA is 44.5% faster than Multi Objective GA. In the overall performance, the convergence speed of Multi Objective GA surpasses the computational time advantage of Penalty Functions based GA. The ability of Multi Objective GA in producing more diverse feasible solutions is a desired feature of the problem selected, that helps the

  14. Propagation of statistical and nuclear data uncertainties in Monte Carlo burn-up calculations

    Energy Technology Data Exchange (ETDEWEB)

    Garcia-Herranz, Nuria [Departamento de Ingenieria Nuclear, Universidad Politecnica de Madrid, UPM (Spain)], E-mail: nuria@din.upm.es; Cabellos, Oscar [Departamento de Ingenieria Nuclear, Universidad Politecnica de Madrid, UPM (Spain); Sanz, Javier [Departamento de Ingenieria Energetica, Universidad Nacional de Educacion a Distancia, UNED (Spain); Juan, Jesus [Laboratorio de Estadistica, Universidad Politecnica de Madrid, UPM (Spain); Kuijper, Jim C. [NRG - Fuels, Actinides and Isotopes Group, Petten (Netherlands)

    2008-04-15

    Two methodologies to propagate the uncertainties on the nuclide inventory in combined Monte Carlo-spectrum and burn-up calculations are presented, based on sensitivity/uncertainty and random sampling techniques (uncertainty Monte Carlo method). Both enable the assessment of the impact of uncertainties in the nuclear data as well as uncertainties due to the statistical nature of the Monte Carlo neutron transport calculation. The methodologies are implemented in our MCNP-ACAB system, which combines the neutron transport code MCNP-4C and the inventory code ACAB. A high burn-up benchmark problem is used to test the MCNP-ACAB performance in inventory predictions, with no uncertainties. A good agreement is found with the results of other participants. This benchmark problem is also used to assess the impact of nuclear data uncertainties and statistical flux errors in high burn-up applications. A detailed calculation is performed to evaluate the effect of cross-section uncertainties in the inventory prediction, taking into account the temporal evolution of the neutron flux level and spectrum. Very large uncertainties are found at the unusually high burn-up of this exercise (800 MWd/kgHM). To compare the impact of the statistical errors in the calculated flux with respect to the cross uncertainties, a simplified problem is considered, taking a constant neutron flux level and spectrum. It is shown that, provided that the flux statistical deviations in the Monte Carlo transport calculation do not exceed a given value, the effect of the flux errors in the calculated isotopic inventory are negligible (even at very high burn-up) compared to the effect of the large cross-section uncertainties available at present in the data files.

  15. High Burnup Dry Storage Cask Research and Development Project, Final Test Plan

    Energy Technology Data Exchange (ETDEWEB)

    None

    2014-02-27

    EPRI is leading a project team to develop and implement the first five years of a Test Plan to collect data from a SNF dry storage system containing high burnup fuel.12 The Test Plan defined in this document outlines the data to be collected, and the storage system design, procedures, and licensing necessary to implement the Test Plan.13 The main goals of the proposed test are to provide confirmatory data14 for models, future SNF dry storage cask design, and to support license renewals and new licenses for ISFSIs. To provide data that is most relevant to high burnup fuel in dry storage, the design of the test storage system must mimic real conditions that high burnup SNF experiences during all stages of dry storage: loading, cask drying, inert gas backfilling, and transfer to the ISFSI for multi-year storage.15 Along with other optional modeling, SETs, and SSTs, the data collected in this Test Plan can be used to evaluate the integrity of dry storage systems and the high burnup fuel contained therein over many decades. It should be noted that the Test Plan described in this document discusses essential activities that go beyond the first five years of Test Plan implementation.16 The first five years of the Test Plan include activities up through loading the cask, initiating the data collection, and beginning the long-term storage period at the ISFSI. The Test Plan encompasses the overall project that includes activities that may not be completed until 15 or more years from now, including continued data collection, shipment of the Research Project Cask to a Fuel Examination Facility, opening the cask at the Fuel Examination Facility, and examining the high burnup fuel after the initial storage period.

  16. Chemical and microbiological farm milk quality determination in three Croatian regions

    Directory of Open Access Journals (Sweden)

    Neven Antunac

    2012-12-01

    Full Text Available The purpose of this study was to determine chemical and microbiological quality of raw milk from 30 farms of different sizes from eastern, central and southern Croatian regions. Samples of fresh raw milk (n=360 are determined by the content of fat, protein, total solids, and the number of microorganisms and somatic cells. Analysed milk derived from Holstein, Simmental and Brown Swiss cows, and their crossbred. Chemical composition of milk was determined by infrared spectrophotometry, microbiological quality by milk epifluorescence flow cytometry, and the number of somatic cells in milk was determined by fluoro-opto-electronic method. The results of chemical quality of milk - of milk fat and protein entirely, for all groups of large and small farms in eastern, central and southern regions meet the requirements of the “Regulations on the Quality of Fresh Raw Milk”. Looking at the value of the total number of microorganisms, only a group of small agricultural holdings of the southern region do not meet the requirements prescribed by the Regulations on the Quality of Fresh Raw Milk in 2000. Small agricultural holdings of the southern region had significantly higher total number of microorganisms (P<0.0001 in relation to the other two groups. There was a statistically significant difference (P<0.01 between somatic cell count (SCC in milk of all three region’s large agricultural holdings, while the SCC in milk of small agricultural holdings of different regions did not show statistically significant difference (P<0.05.

  17. Behaviour of fission gas in the rim region of high burn-up UO 2 fuel pellets with particular reference to results from an XRF investigation

    Science.gov (United States)

    Mogensen, M.; Pearce, J. H.; Walker, C. T.

    1999-01-01

    XRF and EPMA results for retained xenon from Battelle's high burn-up effects program are re-evaluated. The data reviewed are from commercial low enriched BWR fuel with burn-ups of 44.8-54.9 GWd/tU and high enriched PWR fuel with burn-ups from 62.5 to 83.1 GWd/tU. It is found that the high burn-up structure penetrated much deeper than initially reported. The local burn-up threshold for the formation of the high burn-up structure in those fuels with grain sizes in the normal range lay between 60 and 75 GWd/tU. The high burn-up structure was not detected by EPMA in a fuel that had a grain size of 78 μm although the local burn-up at the pellet rim had exceeded 80 GWd/tU. It is concluded that fission gas had been released from the high burn-up structure in three PWR fuel sections with burn-ups of 70.4, 72.2 and 83.1 GWd/tU. In the rim region of the last two sections at the locations where XRF indicated gas release the local burn-up was higher than 75 GWd/tU.

  18. Burnup calculation by the method of first-flight collision probabilities using average chords prior to the first collision

    Science.gov (United States)

    Karpushkin, T. Yu.

    2012-12-01

    A technique to calculate the burnup of materials of cells and fuel assemblies using the matrices of first-flight neutron collision probabilities rebuilt at a given burnup step is presented. A method to rebuild and correct first collision probability matrices using average chords prior to the first neutron collision, which are calculated with the help of geometric modules of constructed stochastic neutron trajectories, is described. Results of calculation of the infinite multiplication factor for elementary cells with a modified material composition compared to the reference one as well as calculation of material burnup in the cells and fuel assemblies of a VVER-1000 are presented.

  19. Proton chemical shift tensors determined by 3D ultrafast MAS double-quantum NMR spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Rongchun; Mroue, Kamal H.; Ramamoorthy, Ayyalusamy, E-mail: ramamoor@umich.edu [Biophysics and Department of Chemistry, The University of Michigan, Ann Arbor, Michigan 48109-1055 (United States)

    2015-10-14

    Proton NMR spectroscopy in the solid state has recently attracted much attention owing to the significant enhancement in spectral resolution afforded by the remarkable advances in ultrafast magic angle spinning (MAS) capabilities. In particular, proton chemical shift anisotropy (CSA) has become an important tool for obtaining specific insights into inter/intra-molecular hydrogen bonding. However, even at the highest currently feasible spinning frequencies (110–120 kHz), {sup 1}H MAS NMR spectra of rigid solids still suffer from poor resolution and severe peak overlap caused by the strong {sup 1}H–{sup 1}H homonuclear dipolar couplings and narrow {sup 1}H chemical shift (CS) ranges, which render it difficult to determine the CSA of specific proton sites in the standard CSA/single-quantum (SQ) chemical shift correlation experiment. Herein, we propose a three-dimensional (3D) {sup 1}H double-quantum (DQ) chemical shift/CSA/SQ chemical shift correlation experiment to extract the CS tensors of proton sites whose signals are not well resolved along the single-quantum chemical shift dimension. As extracted from the 3D spectrum, the F1/F3 (DQ/SQ) projection provides valuable information about {sup 1}H–{sup 1}H proximities, which might also reveal the hydrogen-bonding connectivities. In addition, the F2/F3 (CSA/SQ) correlation spectrum, which is similar to the regular 2D CSA/SQ correlation experiment, yields chemical shift anisotropic line shapes at different isotropic chemical shifts. More importantly, since the F2/F1 (CSA/DQ) spectrum correlates the CSA with the DQ signal induced by two neighboring proton sites, the CSA spectrum sliced at a specific DQ chemical shift position contains the CSA information of two neighboring spins indicated by the DQ chemical shift. If these two spins have different CS tensors, both tensors can be extracted by numerical fitting. We believe that this robust and elegant single-channel proton-based 3D experiment provides useful atomistic

  20. Determination of Chemical Compositions on Adult Kidney Stones—A Spectroscopic Study

    Science.gov (United States)

    Raju, K.; Rakkappan, C.

    2008-11-01

    The chemical compositions of the kidney stones of both the sexes of patients, aged from 40 to 70, living in and around Chidambaram town are determined by using FT-IR and X-RD technique. The kidney stone samples used in the present study were procured from the Rajah Muthiah Medical College and Hospital, Annamalai University. The FT-IR spectra of different kidney stone samples were recorded in the range of 4000-400 cm-1. By identifying the characteristic frequency, the chemical compositions of the samples are determined. The results analyzed by FTIR technique were confirmed by X-RD method, in which the recorded X-ray diffractogram are compared with JCPDS files using search match method. Further analysis of XRD pattern also reveals the same.

  1. Chemical dispersants and pre-treatments to determine clay in soils with different mineralogy

    Directory of Open Access Journals (Sweden)

    Cristiane Rodrigues

    2011-10-01

    Full Text Available Knowledge of the soil physical properties, including the clay content, is of utmost importance for agriculture. The behavior of apparently similar soils can differ in intrinsic characteristics determined by different formation processes and nature of the parent material. The purpose of this study was to assess the efficacy of separate or combined pre-treatments, dispersion methods and chemical dispersant agents to determine clay in some soil classes, selected according to their mineralogy. Two Brazilian Oxisols, two Alfisols and one Mollisol with contrasting mineralogy were selected. Different treatments were applied: chemical substances as dispersants (lithium hydroxide, sodium hydroxide, and hexametaphosphate; pre-treatment with dithionite, ammonium oxalate, and hydrogen peroxide to eliminate organic matter; and coarse sand as abrasive and ultrasound, to test their mechanical action. The conclusion was drawn that different treatments must be applied to determine clay, in view of the soil mineralogy. Lithium hydroxide was not efficient to disperse low-CEC electropositive soils and very efficient in dispersing high-CEC electronegative soils. The use of coarse sand as an abrasive increased the clay content of all soils and in all treatments in which dispersion occurred, with or without the use of chemical dispersants. The efficiency of coarse sand is not the same for all soil classes.

  2. Phase of the complex functional determinant in QCD at small chemical potential

    CERN Document Server

    Fraga, E S

    2008-01-01

    We construct an effective action for QCD by expanding the quark determinant in powers of the chemical potential at finite temperature in the case of massless quarks. To cut the infinite series we adopt the Weinberg power counting criterium. We compute the minimal effective action ($\\sim p^4$), expanding in the external momentum, which implies the use of the Hard Thermal Loop approximation. Our main result is a gauge invariant expression for the phase of the functional determinant in QCD. Implications for lattice simulations are briefly discussed.

  3. Parameter-free determination of actual temperature at chemical freeze-out in nuclear interactions

    Science.gov (United States)

    Panagiotou, A. D.; Mavromanolakis, G.; Tzoulis, J.

    1995-07-01

    We propose a method to determine the actual temperature at chemical freeze-out in relativistic nucleus-nucleus collisions, using the experimental μq/T and μs/T values, obtained from strange particle ratios. We employ the Hadron Gas formalism, assuming only local thermal equilibration, to relate the quarkchemical potential and temperature. This relation constrains the allowed values of μq/T, μs/T and T, enabling the determination of the actual temperature. Comparison of the inverse slope parameter of the mT-distributions with the actual temperature determines the transverse flow velocity of the fireball matter. Knowledge of these quantities is essential in determining the EoS of nuclear matter and in evaluating interactions with regard to a possible phase transition to QGP.

  4. Development of a Burnup Module DECBURN Based on the Krylov Subspace Method

    Energy Technology Data Exchange (ETDEWEB)

    Cho, J. Y.; Kim, K. S.; Shim, H. J.; Song, J. S

    2008-05-15

    This report is to develop a burnup module DECBURN that is essential for the reactor analysis and the assembly homogenization codes to trace the fuel composition change during the core burnup. The developed burnup module solves the burnup equation by the matrix exponential method based on the Krylov Subspace method. The final solution of the matrix exponential is obtained by the matrix scaling and squaring method. To develop DECBURN module, this report includes the followings as: (1) Krylov Subspace Method for Burnup Equation, (2) Manufacturing of the DECBURN module, (3) Library Structure Setup and Library Manufacturing, (4) Examination of the DECBURN module, (5) Implementation to the DeCART code and Verification. DECBURN library includes the decay constants, one-group cross section and the fission yields. Examination of the DECBURN module is performed by manufacturing a driver program, and the results of the DECBURN module is compared with those of the ORIGEN program. Also, the implemented DECBURN module to the DeCART code is applied to the LWR depletion benchmark and a OPR-1000 pin cell problem, and the solutions are compared with the HELIOS code to verify the computational soundness and accuracy. In this process, the criticality calculation method and the predictor-corrector scheme are introduced to the DeCART code for a function of the homogenization code. The examination by a driver program shows that the DECBURN module produces exactly the same solution with the ORIGEN program. DeCART code that equips the DECBURN module produces a compatible solution to the other codes for the LWR depletion benchmark. Also the multiplication factors of the DeCART code for the OPR-1000 pin cell problem agree to the HELIOS code within 100 pcm over the whole burnup steps. The multiplication factors with the criticality calculation are also compatible with the HELIOS code. These results mean that the developed DECBURN module works soundly and produces an accurate solution

  5. Determination of bacterial load in house dust using qPCR, chemical markers and culture.

    Science.gov (United States)

    Kärkkäinen, Päivi M; Valkonen, Maria; Hyvärinen, Anne; Nevalainen, Aino; Rintala, Helena

    2010-03-01

    In this study, we developed two novel qPCR-assays for the detection of bacteria in house dust; one that determines the total bacterial amount and another that detects Gram-positive and Gram-negative bacteria separately. The methods were tested in silico and in vitro with microbial strains and vacuum cleaner dust samples, and validated in relation to culture and chemical marker analysis. We also compared the results of these three types of methods (qPCR, culture and chemical marker analysis) in 211 house dust samples from farming and non-farming environments. Microbial concentrations determined by the new qPCR assays (median 7.2 x 10(5) cell equivalents mg(-1)) were about two orders of magnitude higher than concentrations obtained by culture (median 6.7 x 10(3) cfu mg(-1)). The median concentration of muramic acid was 25.67 ng mg(-1) and that of 3-hydroxy fatty acids, expressed as LPS(10-16) was 26.14 pg mg(-1). Correlations between qPCR and chemical markers were moderate, while correlations between culture and qPCR and chemical markers were low to moderate. All the methods used in this study showed that the microbial concentrations are statistically significantly higher (p < 0.001, Mann-Whitney) in farming than non-farming environments.As a conclusion, all tested methods can be used for determining the bacterial load in dust samples, but none of the methods was superior to the others. The results obtained with these methods represent different aspects of bacterial exposure and therefore the results are not expected to be identical with each other.

  6. EDXRF applied to the chemical element determination of small invertebrate samples

    Energy Technology Data Exchange (ETDEWEB)

    Magalhaes, Marcelo L.R.; Santos, Mariana L.O.; Cantinha, Rebeca S.; Souza, Thomas Marques de; Franca, Elvis J. de, E-mail: marcelo_rlm@hotmail.com, E-mail: marianasantos_ufpe@hotmail.com, E-mail: rebecanuclear@gmail.com, E-mail: thomasmarques@live.com.pt, E-mail: ejfranca@cnen.gov.br [Centro Regional de Ciencias Nucleares do Nordeste (CRCN-NE/CNEN-PE), Recife, PE (Brazil)

    2015-07-01

    Energy Dispersion X-Ray Fluorescence - EDXRF is a fast analytical technique of easy operation, however demanding reliable analytical curves due to the intrinsic matrix dependence and interference during the analysis. By using biological materials of diverse matrices, multielemental analytical protocols can be implemented and a group of chemical elements could be determined in diverse biological matrices depending on the chemical element concentration. Particularly for invertebrates, EDXRF presents some advantages associated to the possibility of the analysis of small size samples, in which a collimator can be used that directing the incidence of X-rays to a small surface of the analyzed samples. In this work, EDXRF was applied to determine Cl, Fe, P, S and Zn in invertebrate samples using the collimator of 3 mm and 10 mm. For the assessment of the analytical protocol, the SRM 2976 Trace Elements in Mollusk produced and SRM 8415 Whole Egg Powder by the National Institute of Standards and Technology - NIST were also analyzed. After sampling by using pitfall traps, invertebrate were lyophilized, milled and transferred to polyethylene vials covered by XRF polyethylene. Analyses were performed at atmosphere lower than 30 Pa, varying voltage and electric current according to the chemical element to be analyzed. For comparison, Zn in the invertebrate material was also quantified by graphite furnace atomic absorption spectrometry after acid treatment (mixture of nitric acid and hydrogen peroxide) of samples have. Compared to the collimator of 10 mm, the SRM 2976 and SRM 8415 results obtained by the 3 mm collimator agreed well at the 95% confidence level since the E{sub n} Number were in the range of -1 and 1. Results from GFAAS were in accordance to the EDXRF values for composite samples. Therefore, determination of some chemical elements by EDXRF can be recommended for very small invertebrate samples (lower than 100 mg) with advantage of preserving the samples. (author)

  7. CRMs for quality control of determinations of chemical forms of elements in support to EU legislation.

    Science.gov (United States)

    Quevauviller, P

    1996-03-01

    The concern for the control of toxic chemical forms of elements in the environment is reflected by an increasing number of analyses performed by research and routine laboratories. The European Commission has recognised the need to include some of these species in the list of dangerous substances to be monitored, e.g. in the marine environment or in groundwater. However, in most cases, the specifications are far from being sufficient in respect to the chemical forms of the element to be determined. Furthermore, these determinations are in most cases based on multi-step analytical techniques which are often prone to errors (e.g. at the extraction, derivatization or separation steps). Certified reference materials (CRMs) certified for their content in chemical forms of elements are, therefore, necessary to ensure the accuracy of these measurements and hence the respect of the regulations. However, the lack of CRMs for speciation analysis hampers the quality control of determinations which in turn leads to an incomparability of data produced; so far the number of CRMs produced by international organisations, e.g. NIST (USA), NIES (Japan), NRCC (Canada) and BCR (Belgium), is very limited and concerns mainly compounds such as e.g. methyl-mercury and butyltin compounds in biological matrices or sediments. The Standards, Measurements and Testing Programme (formerly BCR) of the European Commission has started a series of projects for the improvement of speciation analysis in environmental matrices, the final aim of which being the production of a variety of environmental CRMs. The existing EU legislation involving chemical forms of elements is presented, the requirements for the preparation of CRMs for speciation analysis are discussed and an update of the most recent CRMs produced within the Standards, Measurements and Testing Programme (SM&T) is given.

  8. Determination of Physical, Chemical and Digestibility of some Agricultural by-products

    Directory of Open Access Journals (Sweden)

    majed dehgan

    2016-06-01

    Full Text Available In this experiment, physical and chemical characteristics and estimation of effective fiber and digestibility of some agricultural by-products such as lerd, pulp and date kernel, grape pomace, pistachio hulls, lime and rice straw were determined by using in vitro technique. Experimental data were analyzed as a complete randomized design, with three replicates. Physical and chemical characteristics and digestibility parameters among samples were significantly different. Rice straw due to high water holding capacity and low-density mass were floating on the liquid phase of reticulo-rumen and stimulates rumination but palm seed with high bulk density tends to deposit in the rumen. Chemical characteristics such as non-fibrous carbohydrates of lemon pulp and pistachio hull and crude protein of grape pomace, lerd and pulp of date were significantly different between samples. Results of physical characteristics, particle size separation and physical effective cell wall showed that rice straw provides adequate fiber in diet. Also, to some extent physical effective cell wall can be provided by grape pomace, kernel and lerd of date. The predictions of particle size separation and physical effective cell wall were found to compare reasonably well when new Pennsylvania sieves, compare to old ones, were used. By considering physical and chemical characteristics of above mentioned agricultural by-products date pulp with non-fibrous carbohydrate and high protein content and digestibility can be used in higher amounts in ruminant diets.

  9. Determining the chemical activity of hydrophobic organic compounds in soil using polymer coated vials

    Directory of Open Access Journals (Sweden)

    Jönsson Jan-Åke

    2008-05-01

    Full Text Available Abstract Background In soils contaminated by hydrophobic organic compounds, the concentrations are less indicative of potential exposure and distribution than are the associated chemical activities, fugacities and freely dissolved concentrations. The latter can be measured by diffusive sampling into thin layers of polymer, as in, for example, solid phase micro-extraction. Such measurements require equilibrium partitioning of analytes into the polymer while ensuring that the sample is not depleted. We introduce the validation of these requirements based on parallel sampling into polymer layers of different thicknesses. Results Equilibrium sampling devices were made by coating glass vials internally with 3–12 μm thick layers of polydimethylsiloxane (PDMS. These were filled with slurries of a polluted soil and gently agitated for 5 days. The concentrations of 7 polycyclic aromatic hydrocarbons (PAHs in the PDMS were measured. Validation confirmed fulfilment of the equilibrium sampling requirements and high measurement precision. Finally, chemical activities of the PAHs in the soil were determined from their concentrations and activity coefficients in the PDMS. Conclusion PAHs' thermodynamic activities in a soil test material were determined via a method of uptake into PDMS. This can be used to assess chemical exposure and predict diffusion and partitioning processes.

  10. FRAPCON-3: Modifications to fuel rod material properties and performance models for high-burnup application

    Energy Technology Data Exchange (ETDEWEB)

    Lanning, D.D.; Beyer, C.E.; Painter, C.L.

    1997-12-01

    This volume describes the fuel rod material and performance models that were updated for the FRAPCON-3 steady-state fuel rod performance code. The property and performance models were changed to account for behavior at extended burnup levels up to 65 Gwd/MTU. The property and performance models updated were the fission gas release, fuel thermal conductivity, fuel swelling, fuel relocation, radial power distribution, solid-solid contact gap conductance, cladding corrosion and hydriding, cladding mechanical properties, and cladding axial growth. Each updated property and model was compared to well characterized data up to high burnup levels. The installation of these properties and models in the FRAPCON-3 code along with input instructions are provided in Volume 2 of this report and Volume 3 provides a code assessment based on comparison to integral performance data. The updated FRAPCON-3 code is intended to replace the earlier codes FRAPCON-2 and GAPCON-THERMAL-2. 94 refs., 61 figs., 9 tabs.

  11. Draft evaluation of the frequency for gas sampling for the high burnup confirmatory data project

    Energy Technology Data Exchange (ETDEWEB)

    Stockman, Christine T. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Alsaed, Halim A. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Bryan, Charles R. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2015-03-26

    This report fulfills the M3 milestone M3FT-15SN0802041, “Draft Evaluation of the Frequency for Gas Sampling for the High Burn-up Storage Demonstration Project” under Work Package FT-15SN080204, “ST Field Demonstration Support – SNL”. This report provides a technically based gas sampling frequency strategy for the High Burnup (HBU) Confirmatory Data Project. The evaluation of: 1) the types and magnitudes of gases that could be present in the project cask and, 2) the degradation mechanisms that could change gas compositions culminates in an adaptive gas sampling frequency strategy. This adaptive strategy is compared against the sampling frequency that has been developed based on operational considerations. Gas sampling will provide information on the presence of residual water (and byproducts associated with its reactions and decomposition) and breach of cladding, which could inform the decision of when to open the project cask.

  12. Experience with incomplete control rod insertion in fuel with burnup exceeding approximately 40 GWD/MTU

    Energy Technology Data Exchange (ETDEWEB)

    Kee, E. [Houston Lighting & Power Co., Wadworth, TX (United States)

    1997-01-01

    Analysis and measurement experience with fuel assemblies having incomplete control rod insertion at burnups of approximately 40 GWD/MTU is presented. Control rod motion dynamics and simplified structural analyses are presented and compared to measurement data. Fuel assembly growth measurements taken with the plant Refueling Machine Z-Tape are described and presented. Bow measurements (including plug gauging) are described and potential improvements are suggested. The measurements described and analysis performed show that sufficient guide tube bow (either from creep or yield buckling) is present in some high burnup assemblies to stop the control rods before they reach their full limit of travel. Recommendations are made that, if implemented, could improve cost performance related to testing and analysis activities.

  13. High burnup fuel behavior related to fission gas effects under reactivity initiated accidents (RIA) conditions

    Science.gov (United States)

    Lemoine, F.

    1997-09-01

    Specific aspects of irradiated fuel result from the increasing retention of gaseous and volatile fission products with burnup, which, under overpower conditions, can lead to solid fuel pressurization and swelling causing severe PCMI (pellet clad mechanical interaction). In order to assess the reliability of high burnup fuel under RIAs, experimental programs have been initiated which have provided important data concerning the transient fission gas behavior and the clad loading mechanisms. The importance of the rim zone is demonstrated based on three experiments resulting in clad failure at low enthalpy, which are explained by energetic considerations. High gas release in non-failure tests with low energy deposition underlines the importance of grain boundary and porosity gas. Measured final releases are strongly correlated to the microstructure evolution, depending on energy deposition, pulse width, initial and refabricated fuel rod design. Observed helium release can also increase internal pressure and gives hints to the gas behavior understanding.

  14. Thermal properties of U–Mo alloys irradiated to moderate burnup and power

    Energy Technology Data Exchange (ETDEWEB)

    Burkes, Douglas E.; Casella, Andrew M.; Casella, Amanda J.; Buck, Edgar C.; Pool, Karl N.; MacFarlan, Paul J.; Edwards, Matthew K.; Smith, Frances N.

    2015-09-01

    A variety of physical and thermal property measurements as a function of temperature and fission density were performed on irradiated U-Mo alloy monolithic fuel samples with a Zr diffusion barrier and clad in aluminum alloy 6061. The U-Mo alloy density, thermal diffusivity, and thermal conductivity are strongly influenced by increasing burnup, mainly as the result of irradiation induced recrystallization and fission gas bubble formation and coalescence. U-Mo chemistry, specifically Mo content, and specific heat capacity was not as sensitive to increasing burnup. Measurements indicated that thermal conductivity of the U-Mo alloy decreased approximately 30% for a fission density of 2.88 × 1021 fissions cm-3 and approximately 45% for a fission density of 4.08 × 1021 fissions cm-3 from unirradiated values at 200 oC. An empirical thermal conductivity degradation model developed previously and summarized here agrees well with the experimental measurements.

  15. Assessing the Effect of Fuel Burnup on Control Rod Worth for HEU and LEU Cores of Gharr-1

    Directory of Open Access Journals (Sweden)

    E.K. Boafo

    2013-02-01

    Full Text Available An important parameter in the design and analysis of a nuclear reactor is the reactivity worth of the control rod which is a measure of the efficiency of the control rod to absorb excess reactivity. During reactor operation, the control rod worth is affected by factors such as the fuel burnup, Xenon concentration, Samarium concentration and the position of the control rod in the core. This study investigates the effect of fuel burnup on the control rod worth by comparing results of a fresh and an irradiated core of Ghana's Miniature Neutron Source Reactor for both HEU and LEU cores. In this study, two codes have been utilized namely BURNPRO for fuel burnup calculation and MCNP5 which uses densities of actinides of the irradiated fuel obtained from BURNPRO. Results showed a decrease of the control rod worth with burnup for the LEU while rod worth increased with burnup for the HEU core. The average thermal flux in both inner and outer irradiation sites also decreased significantly with burnup for both cores.

  16. Burn-up credit in criticality safety of PWR spent fuel

    Energy Technology Data Exchange (ETDEWEB)

    Mahmoud, Rowayda F., E-mail: Rowayda_mahmoud@yahoo.com [Metallurgy Department, Nuclear Research Center, Atomic Energy Authority (Egypt); Shaat, Mohamed K. [Nuclear Engineering, Reactors Department, Nuclear Research Center, Atomic Energy Authority (Egypt); Nagy, M.E.; Agamy, S.A. [Professor of Nuclear Engineering, Nuclear and Radiation Department, Alexandria University (Egypt); Abdelrahman, Adel A. [Metallurgy Department, Nuclear Research Center, Atomic Energy Authority (Egypt)

    2014-12-15

    Highlights: • Designing spent fuel wet storage using WIMS-5D and MCNP-5 code. • Studying fresh and burned fuel with/out absorber like “B{sub 4}C and Ag–In–Cd” in racks. • Sub-criticality was confirmed for fresh and burned fuel under specific cases. • Studies for BU credit recommend increasing fuel burn-up to 60.0 GWD/MTU. • Those studies require new core structure materials, fuel composition and cladding. - Abstract: The criticality safety calculations were performed for a proposed design of a wet spent fuel storage pool. This pool will be used for the storage of spent fuel discharged from a typical pressurized water reactor (PWR). The mathematical model based on the international validated codes, WIMS-5 and MCNP-5 were used for calculating the effective multiplication factor, k{sub eff}, for the spent fuel stored in the pool. The data library for the multi-group neutron microscopic cross-sections was used for the cell calculations. The k{sub eff} was calculated for several changes in water density, water level, assembly pitch and burn-up with different initial fuel enrichment and new types and amounts of fixed absorbers. Also, k{sub eff} was calculated for the conservative fresh fuel case. The results of the calculations confirmed that the effective multiplication factor for the spent fuel storage is sub-critical for all normal and abnormal states. The future strategy for the burn-up credit recommends increasing the fuel burn-up to a value >60.0 GWD/MTU, which requires new fuel composition and new fuel cladding material with the assessment of the effects of negative reactivity build up.

  17. S∧4 Reactor: Operating Lifetime and Estimates of Temperature and Burnup Reactivity Coefficients

    Science.gov (United States)

    King, Jeffrey C.; El-Genk, Mohamed S.

    2006-01-01

    The S∧4 reactor has a sectored, Mo-14%Re solid core for avoidance of single point failures in reactor cooling and Closed Brayton Cycle (CBC) energy conversion. The reactor is loaded with UN fuel, cooled with a He-Xe gas mixture at ~1200 K and operates at steady thermal power of 550 kW. Following a launch abort accident, the axial and radial BeO reflectors easily disassemble upon impact so that the bare reactor is subcriticial when submerged in wet sand or seawater and the core voids are filled with seawater. Spectral Shift Absorber (SSA) additives have been shown to increase the UN fuel enrichment and significantly reduce the total mass of the reactor. This paper investigates the effects of SSA additions on the temperature and burnup reactivity coefficients and the operational lifetime of the S∧4 reactor. SSAs slightly decrease the temperature reactivity feedback coefficient, but significantly increase the operating lifetime by decreasing the burnup reactivity coefficient. With no SSAs, fuel enrichment is only 58.5 wt% and the estimated operating lifetime is the shortest (7.6 years) with the highest temperature and burnup reactivity feedback coefficients (-0.2709 ¢/K and -1.3470 $/atom%). With europium-151 and gadolinium-155 additions, the enrichment (91.5 and 94 wt%) and operating lifetime (9.9 and 9.8 years) of the S∧4 reactor are the highest while the temperature and burnup reactivity coefficients (-0.2382 and -0.2447 ¢/K -0.9073 and 0.8502 $/atom%) are the lowest.

  18. Analysis of the effect of UO{sub 2} high burnup microstructure on fission gas release

    Energy Technology Data Exchange (ETDEWEB)

    Jernkvist, Lars Olof; Massih, Ali [Quantum Technologies AB, Uppsala Science Park (Sweden)

    2002-10-01

    This report deals with high-burnup phenomena with relevance to fission gas release from UO{sub 2} nuclear fuel. In particular, we study how the fission gas release is affected by local buildup of fissile plutonium isotopes and fission products at the fuel pellet periphery, with subsequent formation of a characteristic high-burnup rim zone micro-structure. An important aspect of these high-burnup effects is the degradation of fuel thermal conductivity, for which prevalent models are analysed and compared with respect to their theoretical bases and supporting experimental data. Moreover, the Halden IFA-429/519.9 high-burnup experiment is analysed by use of the FRAPCON3 computer code, into which modified and extended models for fission gas release are introduced. These models account for the change in Xe/Kr-ratio of produced and released fission gas with respect to time and space. In addition, several alternative correlations for fuel thermal conductivity are implemented, and their impact on calculated fission gas release is studied. The calculated fission gas release fraction in IFA-429/519.9 strongly depends on what correlation is used for the fuel thermal conductivity, since thermal release dominates over athermal release in this particular experiment. The conducted calculations show that athermal release processes account for less than 10% of the total gas release. However, athermal release from the fuel pellet rim zone is presumably underestimated by our models. This conclusion is corroborated by comparisons between measured and calculated Xe/Kr-ratios of the released fission gas.

  19. Advanced Corrosion-Resistant Zr Alloys for High Burnup and Generation IV Applications

    Energy Technology Data Exchange (ETDEWEB)

    Arthur Motta; Yong Hwan Jeong; R.J. Comstock; G.S. Was; Y.S. Kim

    2006-10-31

    The objective of this collaboration between four institutions in the US and Korea is to demonstrate a technical basis for the improvement of the corrosion resistance of zirconium-based alloys in more extreme operating environments (such as those present in severe fuel duty,cycles (high burnup, boiling, aggressive chemistry) andto investigate the feasibility (from the point of view of corrosion rate) of using advanced zirconium-based alloys in a supercritical water environment.

  20. Angra 1 high burnup fuel behaviour under reactivity initiated accident conditions

    Energy Technology Data Exchange (ETDEWEB)

    Gomes, Daniel de Souza; Silva, Antonio Teixeira e, E-mail: dsgomes@ipen.b, E-mail: teixeira@ipen.b [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil)

    2011-07-01

    The 16x16 NGF (Next Generation Fuel) fuel assembly, comprising of highly corrosive-resistant ZIRLO clad fuel rods, been replacing the current 16x16 Standard (16STD) fuel assembly in the Angra 1, a pressurized water reactor, with a net output of 626 MWe. The 16x16 NGF fuel assemblies are designed for a peak rod average burnup of up to 75 GWd/MTU, thus improving fuel utilization and reducing spent fuel storage issues. A design basis accident, the Reactivity Initiated Accident (RIA), became a concern for a further increase in burnup as the simulated RIA tests revealed a lower enthalpy threshold for fuel failure. Two fuel performance codes, FRAPCON and FRAPTRAN, were used to predict high burnup behavior of Angra 1, during an RIA. The maximum average linear fuel rating used was 17.62 KW/m. The FRAPCON 3.4 code was applied to simulate the steady-state performance of the 16 NGF fuel rods up to a burnup of 55 GWd/MTU. With FRAPTRAN-1.4 the fuel behavior was simulated for an RIA power pulse of 4.5 ms (FHWH), and enthalpy peak of 130 Cal/g. With FRAPCON-3.4, the corrosion and hydrogen pickup characteristics of the advanced ZIRLO clad fuel rods were added to the code by modifying the actual corrosion model for Zircaloy-4 through the multiplication of empirical factors, which were appropriate to each alloy, and by means of reducing the current hydrogen pickup fraction. (author)

  1. Analysis of Experimental Data for High Burnup PWR Spent Fuel Isotopic Validation - Vandellos II Reactor

    Energy Technology Data Exchange (ETDEWEB)

    Ilas, Germina [ORNL; Gauld, Ian C [ORNL

    2011-01-01

    This report is one of the several recent NUREG/CR reports documenting benchmark-quality radiochemical assay data and the use of the data to validate computer code predictions of isotopic composition for spent nuclear fuel, to establish the uncertainty and bias associated with code predictions. The experimental data analyzed in the current report were acquired from a high-burnup fuel program coordinated by Spanish organizations. The measurements included extensive actinide and fission product data of importance to spent fuel safety applications, including burnup credit, decay heat, and radiation source terms. Six unique spent fuel samples from three uranium oxide fuel rods were analyzed. The fuel rods had a 4.5 wt % {sup 235}U initial enrichment and were irradiated in the Vandellos II pressurized water reactor operated in Spain. The burnups of the fuel samples range from 42 to 78 GWd/MTU. The measurements were used to validate the two-dimensional depletion sequence TRITON in the SCALE computer code system.

  2. Needs of reliable nuclear data and covariance matrices for Burnup Credit in JEFF-3 library

    Directory of Open Access Journals (Sweden)

    Lecarpentier D.

    2013-03-01

    Full Text Available Burnup Credit (BUC is the concept which consists in taking into account credit for the reduction of nuclear spent fuel reactivity due to its burnup. In the case of PWR-MOx spent fuel, studies pointed out that the contribution of the 15 most absorbing, stable and non-volatile fission products selected to the credit is as important as the one of the actinides. In order to get a “best estimate” value of the keff, biases of their inventory calculation and individual reactivity worth should be considered in criticality safety studies. This paper enhances the most penalizing bias towards criticality and highlights possible improvements of nuclear data for the 15 FPs of PWRMOx BUC. Concerning the fuel inventory, trends in function of the burnup can be derived from experimental validation of the DARWIN-2.3 package (using the JEFF-3.1.1/SHEM library. Thanks to the BUC oscillation programme of separated FPs in the MINERVE reactor and fully validated scheme PIMS, calculation over experiment ratios can be accurately transposed to tendencies on the FPs integral cross sections.

  3. Burnup simulations of different fuel grades using the MCNPX Monte Carlo code

    Directory of Open Access Journals (Sweden)

    Asah-Opoku Fiifi

    2014-01-01

    Full Text Available Global energy problems range from the increasing cost of fuel to the unequal distribution of energy resources and the potential climate change resulting from the burning of fossil fuels. A sustainable nuclear energy would augment the current world energy supply and serve as a reliable future energy source. This research focuses on Monte Carlo simulations of pressurized water reactor systems. Three different fuel grades - mixed oxide fuel (MOX, uranium oxide fuel (UOX, and commercially enriched uranium or uranium metal (CEU - are used in this simulation and their impact on the effective multiplication factor (Keff and, hence, criticality and total radioactivity of the reactor core after fuel burnup analyzed. The effect of different clad materials on Keff is also studied. Burnup calculation results indicate a buildup of plutonium isotopes in UOX and CEU, as opposed to a decline in plutonium radioisotopes for MOX fuel burnup time. For MOX fuel, a decrease of 31.9% of the fissile plutonium isotope is observed, while for UOX and CEU, fissile plutonium isotopes increased by 82.3% and 83.8%, respectively. Keff results show zircaloy as a much more effective clad material in comparison to zirconium and stainless steel.

  4. Underestimation of nuclear fuel burnup – theory, demonstration and solution in numerical models

    Directory of Open Access Journals (Sweden)

    Gajda Paweł

    2016-01-01

    Full Text Available Monte Carlo methodology provides reference statistical solution of neutron transport criticality problems of nuclear systems. Estimated reaction rates can be applied as an input to Bateman equations that govern isotopic evolution of reactor materials. Because statistical solution of Boltzmann equation is computationally expensive, it is in practice applied to time steps of limited length. In this paper we show that simple staircase step model leads to underprediction of numerical fuel burnup (Fissions per Initial Metal Atom – FIMA. Theoretical considerations indicates that this error is inversely proportional to the length of the time step and origins from the variation of heating per source neutron. The bias can be diminished by application of predictor-corrector step model. A set of burnup simulations with various step length and coupling schemes has been performed. SERPENT code version 1.17 has been applied to the model of a typical fuel assembly from Pressurized Water Reactor. In reference case FIMA reaches 6.24% that is equivalent to about 60 GWD/tHM of industrial burnup. The discrepancies up to 1% have been observed depending on time step model and theoretical predictions are consistent with numerical results. Conclusions presented in this paper are important for research and development concerning nuclear fuel cycle also in the context of Gen4 systems.

  5. Burn-up characteristics of ADS system utilizing the fuel composition from MOX PWRs spent fuel

    Energy Technology Data Exchange (ETDEWEB)

    Marsodi E-mail: marsodi@batan.go.id; Lasman, K.A.S.; Nishihara, K. E-mail: nishi@omega.tokai.jaeri.go.jp; Osugi, T.; Tsujimoto, K.; Marsongkohadi; Su' ud, Z. E-mail: szaki@fi.itb.ac.id

    2002-12-01

    Burn-up characteristics of accelerator-driven system, ADS has been evaluated utilizing the fuel composition from MOX PWRs spent fuel. The system consists of a high intensity proton beam accelerator, spallation target, and sub-critical reactor core. The liquid lead-bismuth, Pb-Bi, as spallation target, was put in the center of the core region. The general approach was conducted throughout the nitride fuel that allows the utilities to choose the strategy for destroying or minimizing the most dangerous high level wastes in a fast neutron spectrum. The fuel introduced surrounding the target region was the same with the composition of MOX from 33 GWd/t PWRs spent-fuel with 5 year cooling and has been compared with the fuel composition from 45 and 60 GWd/t PWRs spent-fuel with the same cooling time. The basic characteristics of the system such as burn-up reactivity swing, power density, neutron fluxes distribution, and nuclides densities were obtained from the results of the neutronics and burn-up analyses using ATRAS computer code of the Japan Atomic Energy research Institute, JAERI.

  6. Thermal Hydraulic Analysis of 3 MW TRIGA Research Reactor of Bangladesh Considering Different Cycles of Burnup

    Directory of Open Access Journals (Sweden)

    M.H. Altaf

    2014-12-01

    Full Text Available Burnup dependent steady state thermal hydraulic analysis of TRIGA Mark-II research reactor has been carried out utilizing coupled point kinetics, neutronics and thermal hydraulics code EUREKA-2/RR. From the previous calculations of neutronics parameters including percentage burnup of individual fuel elements performed so far for 700 MWD burnt core of TRIGA reactor showed that the fuel rod predicted as hottest at the beginning of cycle (fresh core was found to remain as the hottest until 200 MWD of burn, but, with the progress of core burn, the hottest rod was found to be shifted and another rod in the core became the hottest. The present study intends to evaluate the thermal hydraulic parameters of these hottest fuel rods at different cycles of burnup, from beginning to 700 MWD core burnt considering reactor operates under steady state condition. Peak fuel centerline temperature, maximum cladding and coolant temperatures of the hottest channels were calculated. It revealed that maximum temperature reported for fuel clad and fuel centerline found to lie below their melting points which indicate that there is no chance of burnout on the fuel cladding surface and no blister in the fuel meat throughout the considered cycles of core burnt.

  7. Analytical applications of oscillatory chemical reactions: determination of some pharmaceuticaly and biologically important compounds

    Directory of Open Access Journals (Sweden)

    Pejić Nataša D.

    2012-01-01

    Full Text Available Novel analytical methods for quantitive determination of analytes based on perturbations of oscillatory chemical reactions realized under open reactor conditions (continuosly fed well stirred tank reactor, CSTR, have been developed in the past twenty years. The proposed kinetic methods are generally based on the ability of the analyzed substances to change the kinetics of the chemical reactions matrix. The unambiguous correlation of quantitative characteristics of perturbations, and the amount (concentration of analyte expressed as a regression equation, or its graphics (calibration curve, enable the determination of the unknown analyte concentration. Attention is given to the development of these methods because of their simple experimental procedures, broad range of linear regression ( 10-7 10-4 mol L-1 and low limits of detection of analytes ( 10-6 10-8 mol L1, in some cases even lower than 10-12 mol L-1. Therefore, their application is very convenient for routine analysis of various inorganic and organic compounds as well as gases. This review summarizes progress made in the past 5 years on quantitative determination of pharmaceutically and biologically important compounds.

  8. Development of a dielectric spectroscopy technique for determining key chemical components of apple maturity.

    Science.gov (United States)

    Castro-Giráldez, Marta; Fito, Pedro J; Chenoll, Creu; Fito, Pedro

    2010-03-24

    Dielectric measurements (from 500 MHz to 20 GHz) on different standard solutions (K(+), malic acid) with different sugar contents were assayed simulating concentrations of these substances during apple ripening. These assays were performed for considering the potential use of dielectric spectra (500 MHz to 20 GHz) to determine the optimal time for eating the fruit. Good correlations between a newly defined dielectric maturity index and the Thiault index were found. This work presents prospective data of dielectric spectra for certain apple key chemical components in order to consider its potential application as a nondestructive control sensor for the prediction of climacteric fruit maturity.

  9. CHEMICALS

    CERN Multimedia

    Medical Service

    2002-01-01

    It is reminded that all persons who use chemicals must inform CERN's Chemistry Service (TIS-GS-GC) and the CERN Medical Service (TIS-ME). Information concerning their toxicity or other hazards as well as the necessary individual and collective protection measures will be provided by these two services. Users must be in possession of a material safety data sheet (MSDS) for each chemical used. These can be obtained by one of several means : the manufacturer of the chemical (legally obliged to supply an MSDS for each chemical delivered) ; CERN's Chemistry Service of the General Safety Group of TIS ; for chemicals and gases available in the CERN Stores the MSDS has been made available via EDH either in pdf format or else via a link to the supplier's web site. Training courses in chemical safety are available for registration via HR-TD. CERN Medical Service : TIS-ME :73186 or service.medical@cern.ch Chemistry Service : TIS-GS-GC : 78546

  10. Fourier Transform Near Infrared Spectrometry: Using Interferograms To Determine Chemical Composition

    Science.gov (United States)

    Hoy, R. M.; McClure, W. Fred

    1989-12-01

    Previous research conducted in this laboratory has demonstrated several advantages accrued by transforming near infrared spectra from the wavelength domain to the Fourier domain. Those advantages include: [1] smoothing wavelength domain data without loss of end points, [2] correcting for particle size phenomena encountered in solid sample analyses by simply omitting the mean term Fourier coefficient from the "retransformation process", [3] minimizing the multicollinearity problem prevalent in wavelength space, [4] generating wavelength-space derivatives from Fourier space without loss of end points, [5] performing band enhancements via Fourier self-deconvolution, [6] identifying sample type using Fourier vectors, [7] estimating chemical composition using only the first few Fourier coefficients, [8] cutting of computer storage requirements by more than 96%, [9] cutting of calibration time by more than 96%, hence [10] reducing the drudgery of maintaining calibrations. That the first 12 Fourier coefficients contain sufficient information to determine chemical constituents in many products has turned out to be a major advantage leading us to understand that the chemical absorption information in the wavelength spectrum of a sample obtained with an interferometer was also present in the interferogram.

  11. Chemical state of fission products in irradiated uranium carbide fuel

    Science.gov (United States)

    Arai, Yasuo; Iwai, Takashi; Ohmichi, Toshihiko

    1987-12-01

    The chemical state of fission products in irradiated uranium carbide fuel has been estimated by equilibrium calculation using the SOLGASMIX-PV program. Solid state fission products are distributed to the fuel matrix, ternary compounds, carbides of fission products and intermetallic compounds among the condensed phases appearing in the irradiated uranium carbide fuel. The chemical forms are influenced by burnup as well as stoichiometry of the fuel. The results of the present study almost agree with the experimental ones reported for burnup simulated carbides.

  12. Study on Determination of Chemical Oxygen Demand in Water with Ion Chromatography

    Institute of Scientific and Technical Information of China (English)

    ZHANG Zhong-Hai; DING Hong-Chun; FANG Yan-Ju; XIAN Yue-Zhong; JIN Li-Tong

    2007-01-01

    A new method for determining chemical oxygen demand (COD) value in water using ion chromatography coupled with nano TiO2-K2S2O8 co-existing system was described. The photocatalytic oxidation system and nano TiO2-K2S2O8 co-existing system could degrade the organic compounds in water. All sulfur-containing species in the reactive solution were eventually transformed to sulfate which could be determined by conductivity detector in ion chromatography. The change of conductivity of sulfate was proportional to COD value. The optimal experimental conditions and the mechanism of the detection were discussed. The application range was 10.0-300.0 mg·L -1 and the lowest limit of detection was 3.5 mg·L -1. It was considered that the value obtained could be reliably correlated with the COD value obtained using the conventional methods.

  13. An assay to determine the sensitive window of embryos to chemical exposure using Xenopus tropicalis.

    Science.gov (United States)

    Hu, Lingling; Wu, Lijiao; Xue, Yingang; Zhu, Jingmin; Shi, Huahong

    2016-05-01

    The frog embryo teratogenesis assay-Xenopus (FETAX) is an established method to evaluate the developmental toxicity of chemicals. In FETAX, a 48 h continuous exposure is usually conducted when the X. tropicalis embryo is used as the test model. In the present study, we exposed X. tropicalis embryos to nine known teratogens for four separate 12-h periods. The embryos showed great variations in response to nine tested compounds during different exposure periods. Based on the value of the score of malformations, the most sensitive 12 h exposure periods of embryos were significantly distinguished for all the compounds with the exception of NiCl2 . The embryos were the most sensitive to retinols (e.g. all-trans-retinoic acid and 9-cis-retinoic acid) during 0-12 h and to metal compounds (e.g. triphenlytin and CdCl2) during a 24 to 36 h exposure period. In the further 3 h exposure experiment, the most sensitive period could only be determined for one of three tested compounds. Based on the present results, we proposed an assay to determine a 12 h sensitive window of embryos to chemical exposure using Xenopus tropicalis.

  14. Estrogenicity profile and estrogenic compounds determined in river sediments by chemical analysis, ELISA and yeast assays.

    Science.gov (United States)

    Viganò, Luigi; Benfenati, Emilio; van Cauwenberge, Anne; Eidem, Janne K; Erratico, Claudio; Goksøyr, Anders; Kloas, Werner; Maggioni, Silvia; Mandich, Alberta; Urbatzka, Ralph

    2008-10-01

    An effects-directed strategy was applied to bed sediments of a polluted tributary in order to isolate and identify the major estrogenic chemicals it discharges into the River Po, the principal Italian watercourse. Sediment extract was concentrated by solid phase extraction and then fractioned into 10 fractions by reversed phase high performance liquid chromatography (RP-HPLC). Estrogenic activity of whole extract and fractions were determined using a recombinant yeast assay containing the human estrogen receptor (YES). The 10 fractions and whole extract were analysed for target compounds, e.g. estrone (E1), 17beta-estradiol (E2), estriol (E3), 4-nonylphenol (NP), 4-tert-octylphenol (t-OP), bisphenol A (BPA), using both liquid chromatography-tandem mass spectrometry (LC-MS/MS) and non-competitive enzyme-linked immunosorbent assays (ELISA). The YES assay determined high estrogenic activity in whole sediment (15.6 ng/g EE2 equivalents), and positive results for fractions nr 1, 2, 6, 7 and 8. E1, E3 and NP were the main estrogenic chemicals, however, other unidentified compounds contributed to sediment estrogenicity, particularly for polar fractions nr 1 and 2. A GC-MS screening performed in scan mode identified other potential contributors such as phthalates (DBP, BBP), and OP isomers. A next sampling campaign extended to other tributaries and receiving stretches of the River Po confirmed E1, E3 and NP as major estrogenic chemicals potentially threatening other sites of the main river. In general, target compound ELISAs have been shown to be suitable tools for a rapid screening of wide areas or large numbers of environmental samples for estrogenic risk. The potential for interferences suggests however to use cautiously the concentration values obtained from some of the immunoassays.

  15. Review of Technical Issues Related to Predicting Isotopic Compositions and Source Terms for High-Burnup LWR Fuel

    Energy Technology Data Exchange (ETDEWEB)

    Gauld, I. C.; Parks, C. V.

    2000-12-11

    This report has been prepared to review the technical issues important to the prediction of isotopic compositions and source terms for high-burnup, light-water-reactor (LWR) fuel as utilized in the licensing of spent fuel transport and storage systems. The current trend towards higher initial 235U enrichments, more complex assembly designs, and more efficient fuel management schemes has resulted in higher spent fuel burnups than seen in the past. This trend has led to a situation where high-burnup assemblies from operating LWRs now extend beyond the area where available experimental data can be used to validate the computational methods employed to calculate spent fuel inventories and source terms. This report provides a brief review of currently available validation data, including isotopic assays, decay heat measurements, and shielded dose-rate measurements. Potential new sources of experimental data available in the near term are identified. A review of the background issues important to isotopic predictions and some of the perceived technical challenges that high-burnup fuel presents to the current computational methods are discussed. Based on the review, the phenomena that need to be investigated further and the technical issues that require resolution are presented. The methods and data development that may be required to address the possible shortcomings of physics and depletion methods in the high-burnup and high-enrichment regime are also discussed. Finally, a sensitivity analysis methodology is presented. This methodology is currently being investigated at the Oak Ridge National Laboratory as a computational tool to better understand the changing relative significance of the underlying nuclear data in the different enrichment and burnup regimes and to identify the processes that are dominant in the high-burnup regime. The potential application of the sensitivity analysis methodology to help establish a range of applicability for experimental

  16. Analytical quality in environmental studies: uncertainty evaluation of chemical concentrations determined by INAA

    Directory of Open Access Journals (Sweden)

    Elvis Joacir de França

    2006-01-01

    Full Text Available Instrumental neutron activation analysis (INAA is a measurement technique of high metrological level for the determination of chemical elements. In the context of BIOTA/FAPESP Program, leaves of trees have been evaluated by INAA for biomonitoring purposes of the Atlantic Forest. To assure the comparability of results in environmental studies, a leaf sample of Marlierea tomentosa (Myrtaceae family showing the lowest concentrations of chemical elements was selected for the evaluation of analytical quality of the determination under unfavorable conditions. Nevertheless, the homogeneity of chemical concentrations of sample at the 95% of confidence level has been achieved and INAA has presented repeatability of 2% for the determination of Br, Co, Cs, Fe, K, Na, Rb and Sr, the uncertainty could have been overestimated. For the evaluation of uncertainty due to the variability of chemical concentrations in the sample, Jackknife and Bootstrap methods were used to estimate the maximum expected percent standard deviation. The uncertainty budget was considered adequate for the reporting chemical concentrations of environmental samples determined by INAA.A análise por ativação neutrônica instrumental (INAA é uma técnica analítica de alto nível metrológico para a determinação de elementos químicos. No contexto do programa BIOTA/FAPESP, folhas de árvores vêm sendo avaliadas empregando-se INAA para a biomonitoração da Mata Atlântica. Para garantir a comparabilidade dos resultados em estudos ambientais, amostra de folhas de Marlierea tomentosa, cujas concentrações de elementos químicos obtidas foram as menores, foi selecionada para a avaliação da qualidade analítica na mais desfavorável situação. Esta avaliação levou em consideração a homogeneidade das concentrações de elementos e a estimativa da repetitividade analítica. Embora a homogeneidade das concentrações tenha sido detectada em nível de 95% de confiança e a INAA tenha

  17. [Simultaneous determination of chlorhexidine acetate and benzalkonium chloride in compound chemical disinfectants by capillary electrophoresis].

    Science.gov (United States)

    Song, Baohua; Ding, Xiaojing; Li, Jia; Wang, Zhi

    2012-09-01

    Benzalkonium chloride (BAC) is a mixture of alkyl substituted benzyl dimethylammonium chloride homologs (C12-BAC, C14-BAC and C16-BAC). Chlorhexidine acetate is a widely used effective component in compound chemical disinfectants. A method for the simultaneous determination of chlorhexidine acetate and benzalkonium chloride in compound chemical disinfectants by capillary electrophoresis (CE) was established. The CE analysis was carried out using an uncoated capillary with 50 microm i. d. and 37 cm total length. The running buffer was 150 mmol/L NaH2PO4-62.5 mmol/L H3PO4 (pH 2.5) containing 40% (v/v) acetonitrile. The sample medium was 50 mmol/L acetic acid-acetonitrile (1:1, v/v). The detection wavelength was 214 nm. The factors such as the buffer concentration and pH, the content of acetonitrile, which influenced the separation and accurate assay of compound chemical disinfectants were investigated in detail. The intra-day and inter-day precisions of the method were below 3. 0% and 3.7%, respectively. The limits of detection (LOD, signal to noise ratio (S/N) = 3) for chlorhexidine acetate, C12-BAC, Cl4-BAC and C16-BAC were 0. 3, 0.5, 0.5 and 0.5 mg/L, respectively. The limits of quantification (LOQ, S/N = 10) were 1.0, 1.5, 1.5, and 1.5 mg/L, respectively. The corrected peak area and the mass concentration of the four components mentioned above showed good linear relationships within the ranges of 1.0 - 400 mg/L, 1. 5 - 200 mg/L, 1.5 - 200 mg/L and 1.5 - 200 mg/L, with linear correlation coefficients (r) of 0.9995, 0.9998, 0.999 7 and 0.9998, respectively. The established method was used for the determination of the four disinfectants in the compound chemical disinfectants. The results were in good agreement with those obtained by the high performance liquid chromatographic method.

  18. Targeting acetylcholinesterase: identification of chemical leads by high throughput screening, structure determination and molecular modeling.

    Directory of Open Access Journals (Sweden)

    Lotta Berg

    Full Text Available Acetylcholinesterase (AChE is an essential enzyme that terminates cholinergic transmission by rapid hydrolysis of the neurotransmitter acetylcholine. Compounds inhibiting this enzyme can be used (inter alia to treat cholinergic deficiencies (e.g. in Alzheimer's disease, but may also act as dangerous toxins (e.g. nerve agents such as sarin. Treatment of nerve agent poisoning involves use of antidotes, small molecules capable of reactivating AChE. We have screened a collection of organic molecules to assess their ability to inhibit the enzymatic activity of AChE, aiming to find lead compounds for further optimization leading to drugs with increased efficacy and/or decreased side effects. 124 inhibitors were discovered, with considerable chemical diversity regarding size, polarity, flexibility and charge distribution. An extensive structure determination campaign resulted in a set of crystal structures of protein-ligand complexes. Overall, the ligands have substantial interactions with the peripheral anionic site of AChE, and the majority form additional interactions with the catalytic site (CAS. Reproduction of the bioactive conformation of six of the ligands using molecular docking simulations required modification of the default parameter settings of the docking software. The results show that docking-assisted structure-based design of AChE inhibitors is challenging and requires crystallographic support to obtain reliable results, at least with currently available software. The complex formed between C5685 and Mus musculus AChE (C5685•mAChE is a representative structure for the general binding mode of the determined structures. The CAS binding part of C5685 could not be structurally determined due to a disordered electron density map and the developed docking protocol was used to predict the binding modes of this part of the molecule. We believe that chemical modifications of our discovered inhibitors, biochemical and biophysical

  19. Determining treatment frequency for controlling weeds on traffic islands using chemical and non-chemical weed control

    DEFF Research Database (Denmark)

    Rask, Anne Merete; Larsen, S.U.; Andreasen, Christian;

    2013-01-01

    Many public authorities rely on the use of non-chemical weed control methods, due to stringent restrictions on herbicide use in urban areas. However, these methods usually require more repeated treatments than chemical weed management, resulting in increased costs of weed management. In order...... to investigate the efficacy of four non-chemical weed control methods and glyphosate treatment, experiments were carried out on traffic islands in the growing seasons 2005 and 2006. Three trial sites were each divided into six treatment areas, which were either treated with glyphosate, flame, steam, hot air....../flame, hot water or left untreated. The treatments were carried out at regular, predetermined intervals throughout the growing season in 2004, whereas in 2005 and 2006 how many treatments that were required to keep weed cover below a predetermined acceptance level of 2% were investigated. Percentage weed...

  20. The high burn-up structure in nuclear fuel

    Directory of Open Access Journals (Sweden)

    Vincenzo V. Rondinella

    2010-12-01

    Full Text Available During its operating life in the core of a nuclear reactor nuclear fuel is subjected to significant restructuring processes determined by neutron irradiation directly through nuclear reactions and indirectly through the thermo-mechanical conditions established as a consequence of such reactions. In today's light water reactors, starting after ∼4 years of operation the cylindrical UO2 fuel pellet undergoes a transformation that affects its outermost radial region. The discovery of a newly forming structure necessitated the answering of important questions concerning the safety of extended fuel operation and still today poses the fascinating scientific challenge of fully understanding the microstructural mechanisms responsible for its formation.

  1. Determination of solvents permeating through chemical protective clothing with a microsensor array.

    Science.gov (United States)

    Park, J; Zellers, E T

    2000-08-01

    The performance of a novel prototype instrument in determining solvents and solvent mixtures permeating through samples of chemical protective clothing (CPC) materials was evaluated. The instrument contains a mini-preconcentrator and an array of three polymer-coated surface-acoustic-wave (SAW) microsensors whose collective response patterns are used to discriminate among multiple permeants. Permeation tests were performed with a 2.54 cm diameter test cell in an open-loop configuration on samples of common glove materials challenged with four individual solvents, three binary mixtures, and two ternary mixtures. Breakthrough times, defined as the times required for the permeation rate to reach a value of 1 microg cm(-2) min(-1), determined by the instrument were within 3 min of those determined in parallel by manual sampling and gas chromatographic analysis. Permeating solvents were recognized (identified) from their response patterns in 59 out of 64 measurements (92%) and their vapor concentrations were quantified to an accuracy of +/- 31% (typically +/- 10%). These results demonstrate the potential for such instrumentation to provide semi-automated field or bench-top screening of CPC permeation resistance.

  2. The application of thermal methods for determining chemical composition of carbonaceous aerosols: a review.

    Science.gov (United States)

    Chow, Judith C; Yu, Jian Zhen; Watson, John G; Ho, Steven Sai Hang; Bohannan, Theresa L; Hays, Michael D; Fung, Kochy K

    2007-09-01

    Thermal methods of various forms have been used to quantify carbonaceous materials. Thermal/optical carbon analysis provides measurements of organic and elemental carbon concentrations as well as fractions evolving at specific temperatures in ambient and source aerosols. Detection of thermally desorbed organic compounds with thermal desorption-gas chromatography/mass spectrometry (TD-GC/MS) identifies and quantifies over 100 individual organic compounds in particulate matter (PM) samples. The resulting mass spectra contain information that is consistent among, but different between, source emissions even in the absence of association with specific organic compounds. TD-GC/MS is a demonstrated alternative to solvent extraction for many organic compounds and can be applied to samples from existing networks. It is amenable to field-deployable instruments capable of measuring organic aerosol composition in near real-time. In this review, thermal stability of organic compounds is related to chemical structures, providing a basis for understanding thermochemical properties of carbonaceous aerosols. Recent advances in thermal methods applied to determine aerosol chemical compositions are summarized and their potential for uncovering aerosol chemistry are evaluated. Current limitations and future research needs of the thermal methods are included.

  3. Determination of bisphenol A in food-simulating liquids using LCED with a chemically modified electrode.

    Science.gov (United States)

    D'Antuono, A; Dall'Orto, V C; Lo Balbo, A; Sobral, S; Rezzano, I

    2001-03-01

    Liquid chromatography with electrochemical detector (LC-ED), using a chemically modified electrode coated with a metalloporphyrin film, is reported for determination of bisphenol A (BPA) migration from polycarbonate baby bottles. The extraction process of the samples was performed according to regulations of the Southern Common Market (MERCOSUR), where certain food-simulating liquids [(A) distilled water, (B) acetic acid 3% V/V in distilled water, and (C) ethanol 15% V/V in distilled water] are defined along with controlled time and temperature conditions. The baseline obtained using the naked electrode showed a considerable drift which increased the detection limit. This effect was suppressed with the chemically modified electrode. A linear range up to 450 ppb along with a detection limit of 20 ppb for the amperometric detection technique was observed. The procedure described herein allowed lowering the detection limit of the method to 0.2 ppb. The value found for BPA in the food-simulating liquid is 1.2 ppb, which is below the tolerance limit for specific migration (4.8 ppm).

  4. Chemometrics-assisted spectrophotometry method for the determination of chemical oxygen demand in pulping effluent.

    Science.gov (United States)

    Chen, Honglei; Chen, Yuancai; Zhan, Huaiyu; Fu, Shiyu

    2011-04-01

    A new method has been developed for the determination of chemical oxygen demand (COD) in pulping effluent using chemometrics-assisted spectrophotometry. Two calibration models were established by inducing UV-visible spectroscopy (model 1) and derivative spectroscopy (model 2), combined with the chemometrics software Smica-P. Correlation coefficients of the two models are 0.9954 (model 1) and 0.9963 (model 2) when COD of samples is in the range of 0 to 405 mg/L. Sensitivities of the two models are 0.0061 (model 1) and 0.0056 (model 2) and method detection limits are 2.02-2.45 mg/L (model 1) and 2.13-2.51 mg/L (model 2). Validation experiment showed that the average standard deviation of model 2 was 1.11 and that of model 1 was 1.54. Similarly, average relative error of model 2 (4.25%) was lower than model 1 (5.00%), which indicated that the predictability of model 2 was better than that of model 1. Chemometrics-assisted spectrophotometry method did not need chemical reagents and digestion which were required in the conventional methods, and the testing time of the new method was significantly shorter than the conventional ones. The proposed method can be used to measure COD in pulping effluent as an environmentally friendly approach with satisfactory results.

  5. Quantitative determinations of chemical compounds with nutritional value from Inca crops: Chenopodium quinoa ('quinoa').

    Science.gov (United States)

    González, J A; Roldán, A; Gallardo, M; Escudero, T; Prado, F E

    1989-12-01

    Quantitative determinations of total and soluble proteins, total and free sugars, starch, total lipids, tanins, ash (Ca, Na, K, Fe, and P), and caloric value were carried out on quinoa flour. Results show that the amount of soluble proteins was higher than the standard value for wheat and maize and was very close to that of barley's. The yield of free sugars like glucose (4.55%), fructose (2.41%) and sucrose (2.39%) were also of importance. Iron and calcium levels were higher than the reported values for maize and barley. The same occurred for the caloric value (435.5 Kcal/100 g). The content of saponins was also examined since its effect on red blood cells of group A and O has been related as a potential problem of the Andes population. From the chemical analysis a more complete view about quinoa as human food was presented.

  6. Phase of the Fermion Determinant for QCD at Finite Chemical Potential

    CERN Document Server

    Splittorff, K

    2008-01-01

    In this lecture we discuss various properties of the phase factor of the fermion determinant for QCD at nonzero chemical potential. Its effect on physical observables is elucidated by comparing the phase diagram of QCD and phase quenched QCD and by illustrating the failure of the Banks-Casher formula with the example of one-dimensional QCD. The average phase factor and the distribution of the phase are calculated to one-loop order in chiral perturbation theory. In quantitative agreement with lattice QCD results, we find that the distribution is Gaussian with a width $\\sim \\mu T \\sqrt V$ (for $m_\\pi \\ll T \\ll \\Lambda_{\\rm QCD}$). Finally, we introduce, so-called teflon plated observables which can be calculated accurately by Monte Carlo even though the sign problem is severe.

  7. Determining stellar atmospheric parameters and chemical abundances of FGK stars with iSpec

    CERN Document Server

    Blanco-Cuaresma, S; Heiter, U; Jofré, P

    2014-01-01

    Context. An increasing number of high-resolution stellar spectra is available today thanks to many past and ongoing extensive spectroscopic surveys. Consequently, the scientific community needs automatic procedures to derive atmospheric parameters and individual element abundances. Aims. Based on the widely known SPECTRUM code by R. O. Gray, we developed an integrated spectroscopic software framework suitable for the determination of atmospheric parameters (i.e., effective temperature, surface gravity, metallicity) and individual chemical abundances. The code, named iSpec and freely distributed, is written mainly in Python and can be used on different platforms. Methods. iSpec can derive atmospheric parameters by using the synthetic spectral fitting technique and the equivalent width method. We validated the performance of both approaches by developing two different pipelines and analyzing the Gaia FGK benchmark stars spectral library. The analysis was complemented with several tests designed to assess other ...

  8. Chemical Oxygen Demand of Seawater Determined with a Microwave Heating Method

    Institute of Scientific and Technical Information of China (English)

    LIU Li; JI Hongwei; LIU Ying; XIN Huizhen

    2005-01-01

    This paper investigates a microwave heating method for the determination of chemical oxygen demand (COD) in seawater. The influences of microwave-power, heating time and standard substances on the results are studied. Using the proposed method, we analyzed the glucose standard solution, the coefficient of variation being less than 2%. Compared with the traditional electric stove heating method, the results of F-test and T-test showed that there was no significant difference between the two methods, but the microwave method had slightly higher precision and reproducibility than the electric stove method. With the microwave heating method, several seawater samples from Jiaozhou Bay and the South Yellow Sea were also analyzed. The recovery was between 97.5% and 104.3%. This new method has the advantages of shortening the heating time, improving the working efficiency and having simple operation and therefore can be used to analyze the COD in seawater.

  9. Chemical composition and RT[sub NDT] determinations for Midland weld WF-70

    Energy Technology Data Exchange (ETDEWEB)

    Nanstad, R.K.; McCabe, D.E.; Swain, R.L.; Miller, M.K. (Oak Ridge National Lab., TN (United States))

    1992-12-01

    The Heavy-Section Steal Irradiation Program Tenth Irradiation Series has the objective to investigate the affects of radiation on the fracture toughness of the low-upper-shelf submerged-arc welds (B W designation WF-70) in the reactor pressure vessel of the canceled Midland Unit 1 nuclear plant. This report discusses determination of variations in chemical composition And reference temperature (RT[sub NDT]) throughout the welds. Specimens were machined from different sections and through thickness locations in both the beltline and nozzle course welds. The nil-ductility transition temperatures ranged from [minus]40 to [minus]60[degrees]C ([minus]40 and [minus]76[degrees]F) while the RT[sub NDT]S, controlled by the Charpy behavior, varied from [minus]20 to 37[degrees]C ([minus]4 to 99[degrees]F). The upper-shelf energies varied from 77 to 108 J (57 to 80 ft-lb). The combined data revealed a mean 41-J (30-ft-lb) temperature of [minus]8[degrees]C (17[degrees]F) with a mean upper-shelf energy of 88 J (65 ft-lb). The copper contents range from 0.21 to 0.34 wt % in the beltline weld and from 0.37 to 0.46 wt % in the nozzle course weld. Atom probe field ion microscope analyses indicated substantial depletion of copper in the matrix but no evidence of copper clustering. Statistical analyses of the Charpy and chemical composition results as well as interpretation of the ASME procedures for RT[sub NDT] determination are discussed.

  10. Burnup concept for a long-life fast reactor core using MCNPX.

    Energy Technology Data Exchange (ETDEWEB)

    Holschuh, Thomas Vernon,; Lewis, Tom Goslee,; Parma, Edward J.,

    2013-02-01

    This report describes a reactor design with a burnup concept for a long-life fast reactor core that was evaluated using Monte Carlo N-Particle eXtended (MCNPX). The current trend in advanced reactor design is the concept of a small modular reactor (SMR). However, very few of the SMR designs attempt to substantially increase the lifetime of a reactor core, especially without zone loading, fuel reshuffling, or other artificial mechanisms in the core that %E2%80%9Cflatten%E2%80%9D the power profile, including non-uniform cooling, non-uniform moderation, or strategic poison placement. Historically, the limitations of computing capabilities have prevented acceptable margins in the temporal component of the spatial excess reactivity in a reactor design, due primarily to the error in burnup calculations. This research was performed as an initial scoping analysis into the concept of a long-life fast reactor. It can be shown that a long-life fast reactor concept can be modeled using MCNPX to predict burnup and neutronics behavior. The inherent characteristic of this conceptual design is to minimize the change in reactivity over the lifetime of the reactor. This allows the reactor to operate substantially longer at full power than traditional Light Water Reactors (LWRs) or other SMR designs. For the purpose of this study, a single core design was investigated: a relatively small reactor core, yielding a medium amount of power (~200 to 400 MWth). The results of this scoping analysis were successful in providing a preliminary reactor design involving metal U-235/U-238 fuel with HT-9 fuel cladding and sodium coolant at a 20% volume fraction.

  11. Criticality Analysis of Assembly Misload in a PWR Burnup Credit Cask

    Energy Technology Data Exchange (ETDEWEB)

    Wagner, J. C. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2008-01-31

    The Interim Staff Guidance on bumup credit (ISG-8) for spent fuel in storage and transportation casks, issued by the Nuclear Regulatory Commission's Spent Fuel Project Office, recommends a bumup measurement for each assembly to confirm the reactor record and compliance with the assembly bumup value used for loading acceptance. This recommendation is intended to prevent unauthorized loading (misloading) of assemblies due to inaccuracies in reactor burnup records and/or improper assembly identification, thereby ensuring that the appropriate subcritical margin is maintained. This report presents a computational criticality safety analysis of the consequences of misloading fuel assemblies in a highcapacity cask that relies on burnup credit for criticality safety. The purpose of this report is to provide a quantitative understanding of the effects of fuel misloading events on safety margins. A wide variety of fuel-misloading configurations are investigated and results are provided for informational purposes. This report does not address the likelihood of occurrence for any of the misload configurations considered. For representative, qualified bumup-enrichment combinations, with and without fission products included, misloading two assemblies that are underburned by 75% results in an increase in keff of 0.025-0.045, while misloading four assemblies that are underburned by 50% also results in an increase in keff of 0.025-0.045. For the cask and conditions considered, a reduction in bumup of 20% in all assemblies results in an increase in kff of less than 0.035. Misloading a single fresh assembly with 3, 4, or 5 wt% 235U enrichment results in an increase in keffof--0.02, 0.04, or 0.06, respectively. The report concludes with a summary of these and other important findings, as well as a discussion of relevant issues that should be considered when assessing the appropriate role of burnup measurements.

  12. A portable photoelectrochemical probe for rapid determination of chemical oxygen demand in wastewaters.

    Science.gov (United States)

    Zhang, Shanqing; Li, Lihong; Zhao, Huijun

    2009-10-15

    A photoelectrochemical probe for rapid determination of chemical oxygen demand (COD) is developed using a nanostructured mixed-phase TiO2 photoanode, namely PeCOD probe. A UV-LED light source and a USB mircroelectrochemical station are powered and controlled by a laptop computer, which makes the probe portable for onsite COD analyses. The photoelectrochemical measurement of COD was optimized in terms of light intensity, applied bias, and pH. Under the optimized conditions, the net steady state currents originated from the oxidation of organic compounds were found to be directly proportional to COD concentrations. A practical detection limit of 0.2 ppm COD and a linear range of 0-120 ppm COD were achieved. The analytical method using the portable PeCOD probe has the advantages of being rapid, low cost, robust, user-friendly, and environmental friendly. It has been successfully applied to determine the COD values of the synthetic samples consisting of potassium hydrogen phthalate, D-glucose, glutamic acid, glutaric acid, succinic acid, and malonic acid, and real samples from various industries, such as bakery, oil and grease manufacturer, poultry, hotel, fine food factory, and fresh food producer, commercial bread manufacturer. Excellent agreement between the proposed method and the conventional COD method (dichromate) was achieved.

  13. Determinants of Price-Earnings Ratio: The Case of Chemical Sector of Pakistan

    Directory of Open Access Journals (Sweden)

    Samya Tahir

    2012-08-01

    Full Text Available Price-to-Earnings (P/E ratio, a relative valuation technique has always remained at the centre of attention of market analysts and investors ever since the origin of discounted dividend growth model of Gordon and Shapiro (1956. The present study attempts to identify the factors explaining variations in P/E ratio for chemical sector of Pakistan by using Ordinary Least Square (OLS regression on pooled data of 25 firms listed at Karachi stock exchange for the period 2005 to 2009. Furthermore, taking into account the volatility in Pakistani stock market during the study period, a time-series analysis has also made by using OLS regression model to examine whether determinants of P/E ratio differ across years or not. Results demonstrate that Dividend payout ratio and Tobin’s Q remain the most important determinants of P/E ratios for pooled as well as time-series analysis. The study is expected to facilitate decision makers to evaluate factors that explain variations in firm’s P/E ratio in order to attract investor’s attention and raise their confidence to select these firms in their portfolios.

  14. Determination of some physical and chemical changes in fruits of Hass avocado cultivar during harvesting time

    Directory of Open Access Journals (Sweden)

    Süleyman BAYRAM

    2016-06-01

    Full Text Available Cultivation of avocado has increasingly attracted the attention of producers in Turkey recently. Hass is one of the most important avocado cultivars produced in the world and Turkey. The aim of this study was to determine the most suitable fruit maturity standards for Hass cultivar by analyzing some physical and chemical parameters. The study was conducted at the two harvest periods from October to June in 2010-11 and 2012-13 years with 15-20 days intervals. Fruit weights changed from 106.73 g to 196.50 g in 2010-11 and from 98.45 g to 157.81 g in 2012-13 harvest periods. Dry weight of fruits increased from 19.60% to 36.45% and from 19.23% to 38.28% and oil content increased from 6.43% to 22.06% and from 6.47% to 24.86% depending on the harvest period in 2010-11 and 2012-13 respectively. There was a very high positive relationship between dry weight and oil content of fruit, but a significant negative correlation was found between fruit flesh and seed weight. As a result of this study; the optimal harvest period of Hass cultivar was determined to be from January to June in terms of fruit dry weight and oil content in Antalya conditions.

  15. A semi-empirical model for the formation and depletion of the high burnup structure in UO2

    Science.gov (United States)

    Pizzocri, D.; Cappia, F.; Luzzi, L.; Pastore, G.; Rondinella, V. V.; Van Uffelen, P.

    2017-04-01

    In the rim zone of UO2 nuclear fuel pellets, the combination of high burnup and low temperature drives a microstructural change, leading to the formation of the high burnup structure (HBS). In this work, we propose a semi-empirical model to describe the formation of the HBS, which embraces the polygonisation/recrystallization process and the depletion of intra-granular fission gas, describing them as inherently related. For this purpose, we performed grain-size measurements on samples at radial positions in which the restructuring was incomplete. Based on these new experimental data, we infer an exponential reduction of the average grain size with local effective burnup, paired with a simultaneous depletion of intra-granular fission gas driven by diffusion. The comparison with currently used models indicates the applicability of the herein developed model within integral fuel performance codes.

  16. Assesment of advanced step models for steady state Monte Carlo burnup calculations in application to prismatic HTGR

    Directory of Open Access Journals (Sweden)

    Kępisty Grzegorz

    2015-09-01

    Full Text Available In this paper, we compare the methodology of different time-step models in the context of Monte Carlo burnup calculations for nuclear reactors. We discuss the differences between staircase step model, slope model, bridge scheme and stochastic implicit Euler method proposed in literature. We focus on the spatial stability of depletion procedure and put additional emphasis on the problem of normalization of neutron source strength. Considered methodology has been implemented in our continuous energy Monte Carlo burnup code (MCB5. The burnup simulations have been performed using the simplified high temperature gas-cooled reactor (HTGR system with and without modeling of control rod withdrawal. Useful conclusions have been formulated on the basis of results.

  17. Chemical modifiers in arsenic determination in biological materials by tungsten coil electrothermal atomic absorption spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Bruhn, C.G.; Huerta, V.N.; Neira, J.Y. [Departamento de Analisis Instrumental, Facultad de Farmacia, Universidad de Concepcion, P.O. Box 237, Concepcion (Chile)

    2004-01-01

    Palladium, iridium, and rhodium are evaluated as possible chemical modifiers in the determination of As in digest solutions of biological materials (human hair and clam) by tungsten coil electrothermal atomic absorption spectrophotometry (TCA-AAS). The modifier in solution was applied onto the coil and thermally pre-reduced; the pre-reduction conditions, the amount of modifier, and the thermal program were optimized. Palladium was not satisfactory, whereas Ir and Rh were effective modifiers and rendered better relative sensitivity for As by a factor of 1.4 and 1.9, respectively compared to the case without modifier. Upon optimization of thermal conditions for As in pre-reduced Ir (2.0 {mu}g) and Rh (2.0 {mu}g) modifiers and in the digest solutions of the study matrices, Rh (2.0 {mu}g) was more effective modifier and was selected as such. The mean within-day repeatability was 2.8% in consecutive measurements (25-100 {mu}g L{sup -1}) (3 cycles, each of n=6) and confirmed good short-term stability of the absorbance measurements. The mean reproducibility was 4.4% (n=20 in a 3-day period) and the detection limit (3{sigma}{sub blank}/slope) was 29 pg (n=15). The useful coil lifetime in Rh modifier was extended to 300-400 firings. Validation was by determination of As in the certified reference material (CRM) of ''Oyster tissue'' solution with a percentage relative error (E{sub rel}%) of 2% and percentage relative standard deviation (RSD%) of 3% (n=4), and by analytical recovery of As spiked in CRM of human hair [94{+-}8% (n=4)]. The methodology is simple, fast (sample readout frequency 21 h{sup -1}), reliable, of low cost, and was applied to the determination of As in hair samples of exposed and unexposed workers. (orig.)

  18. Determination of antibacterial, antifungal activity and chemical composition of essential oil portion of unani formulation kulzam

    Directory of Open Access Journals (Sweden)

    K Ashok Kumar

    2011-01-01

    Full Text Available Kulzam is a popular unani, liquid formulation; indicated for several minor ailments like cough, cold, running nose, sore throat, insect bites, earache, tooth ache, etc. by the manufacturer. However, this over the counter formulation has not been scientifically evaluated for its claimed uses. Hence in the present study an attempt has been to check the chemical composition, antibacterial and antifungal activity as most of the above-mentioned conditions are underpinned by microbial activity. The antibacterial and antifungal activity of the formulation was carried out on human pathogenic bacteria Pseudomonas aerogenousa, Escherichia coli, Staphylococcus aureus, Corynebacterium and fungi Candida albicans, Aspergillus fumigates and was compared with standards ciprofloxacin and clotrimazole. Kulzam exhibited strong in vitro inhibition of growth against all the test micro-organisms at both 100 and 150 μl levels of undiluted formulation (test sample and more than that of standard at 150 μl level. The chemical composition of essential oil of the formulation was determined by gas chromatography−mass spectroscopy (GC-MS analysis. Thirteen compounds constituting about 93.56% of the essential oil were identified. The main components were Camphor, menthol, thymol, 2-propenal 3-phenyl-, eugenol, trans-caryophyllene, p-allylanisole, linalool, eucalyptol, l-limonene, 1-methyl-2-isopropylbenzene, and 1S-alpha-pinene. The outcome of this study shows that kulzam contain terpenes and their oxygenated derivatives, which are believed to be highly effective antibacterial, antifungal, analgesic, anti-inflammatory, antioxidant, spasmolytic and immunomodulatory agents. The formulation has been found to possess strong antibacterial and antifungal properties, and it becomes very difficult to pin point the specific compound responsible for studied activities. However, the study positively motivates the use of kulzam for common ailments.

  19. Physical-chemical determinant properties of biological communities in continental semi-arid waters.

    Science.gov (United States)

    da Rocha, Francisco Cleiton; de Andrade, Eunice Maia; Lopes, Fernando Bezerra; de Paula Filho, Francisco José; Filho, José Hamilton Costa; da Silva, Merivalda Doroteu

    2016-08-01

    Throughout human history, water has undergone changes in quality. This problem is more serious in dry areas, where there is a natural water deficit due to climatic factors. The aims of this study, therefore, were (i) to verify correlations between physical attributes, chemical attributes and biological metrics and (ii) from the biological attributes, to verify the similarity between different points of a body of water in a tropical semi-arid region. Samples were collected every 2 months, from July 2009 to July 2011, at seven points. Four physical attributes, five chemical attributes and four biological metrics were investigated. To identify the correlations between the physicochemical properties and the biological metrics, hierarchical cluster analysis (HCA) and canonical correlation analysis (CCA) were applied. Nine classes of phytoplankton were identified, with the predominance of species of cyanobacteria, and ten families of macroinvertebrates. The use of HCA resulted in the formation of three similar groups, showing that it was possible to reduce the number of sampling points when monitoring water quality with a consequent reduction in cost. Group I was formed from the waters at the high end of the reservoir (points P1, P2 and P3), group II by the waters from the middle third (points P4 and P5), and group III by the waters from the lower part of the reservoir (points P6 and P7). Richness of the phytoplanktons Cyanophyceae, Chorophyceae and Bacillariophyceae was the attribute which determined dissimilarity in water quality. Using CCA, it was possible to identify the spatial variability of the physicochemical attributes (TSS, TKN, nitrate and total phosphorus) that most influence the metrics of the macroinvertebrates and phytoplankton present in the water. Low macroinvertebrate diversity, with a predominance of indicator families for deterioration in water quality, and the composition of phytoplankton showing a predominance of cyanobacteria, suggests greater

  20. Determination of contact maps in proteins: A combination of structural and chemical approaches

    Energy Technology Data Exchange (ETDEWEB)

    Wołek, Karol; Cieplak, Marek, E-mail: mc@ifpan.edu.pl [Institute of Physics, Polish Academy of Science, Al. Lotników 32/46, 02-668 Warsaw (Poland); Gómez-Sicilia, Àngel [Instituto Cajal, Consejo Superior de Investigaciones Cientificas (CSIC), Av. Doctor Arce, 37, 28002 Madrid (Spain); Instituto Madrileño de Estudios Avanzados en Nanociencia (IMDEA-Nanociencia), C/Faraday 9, 28049 Cantoblanco (Madrid) (Spain)

    2015-12-28

    Contact map selection is a crucial step in structure-based molecular dynamics modelling of proteins. The map can be determined in many different ways. We focus on the methods in which residues are represented as clusters of effective spheres. One contact map, denoted as overlap (OV), is based on the overlap of such spheres. Another contact map, named Contacts of Structural Units (CSU), involves the geometry in a different way and, in addition, brings chemical considerations into account. We develop a variant of the CSU approach in which we also incorporate Coulombic effects such as formation of the ionic bridges and destabilization of possible links through repulsion. In this way, the most essential and well defined contacts are identified. The resulting residue-residue contact map, dubbed repulsive CSU (rCSU), is more sound in its physico-chemical justification than CSU. It also provides a clear prescription for validity of an inter-residual contact: the number of attractive atomic contacts should be larger than the number of repulsive ones — a feature that is not present in CSU. However, both of these maps do not correlate well with the experimental data on protein stretching. Thus, we propose to use rCSU together with the OV map. We find that the combined map, denoted as OV+rCSU, performs better than OV. In most situations, OV and OV+rCSU yield comparable folding properties but for some proteins rCSU provides contacts which improve folding in a substantial way. We discuss the likely residue-specificity of the rCSU contacts. Finally, we make comparisons to the recently proposed shadow contact map, which is derived from different principles.

  1. A multi-platform linking code for fuel burnup and radiotoxicity analysis

    Science.gov (United States)

    Cunha, R.; Pereira, C.; Veloso, M. A. F.; Cardoso, F.; Costa, A. L.

    2014-02-01

    A linking code between ORIGEN2.1 and MCNP has been developed at the Departamento de Engenharia Nuclear/UFMG to calculate coupled neutronic/isotopic results for nuclear systems and to produce a large number of criticality, burnup and radiotoxicity results. In its previous version, it evaluated the isotopic composition evolution in a Heat Pipe Power System model as well as the radiotoxicity and radioactivity during lifetime cycles. In the new version, the code presents features such as multi-platform execution and automatic results analysis. Improvements made in the code allow it to perform simulations in a simpler and faster way without compromising accuracy. Initially, the code generates a new input for MCNP based on the decisions of the user. After that, MCNP is run and data, such as recoverable energy per prompt fission neutron, reaction rates and keff, are automatically extracted from the output and used to calculate neutron flux and cross sections. These data are then used to construct new ORIGEN inputs, one for each cell in the core. Each new input is run on ORIGEN and generates outputs that represent the complete isotopic composition of the core on that time step. The results show good agreement between GB (Coupled Neutronic/Isotopic code) and Monteburns (Automated, Multi-Step Monte Carlo Burnup Code System), developed by the Los Alamos National Laboratory.

  2. Tritium Burn-up Depth and Tritium Break-Even Time

    Institute of Scientific and Technical Information of China (English)

    LI Cheng-Yue; DENG Bai-Quan; HUANG Jin-Hua; YAN Jian-Cheng

    2006-01-01

    @@ Similarly to but quite different from the xenon poisoning effects resulting from fission-produced iodine during the restart-up process of a fission reactor, we introduce a completely new concept of the tritium burn-up depth and tritium break-even time in the fusion energy research area. To show what the least required amount of tritium storage is used to start up a fusion reactor and how long a time the fusion reactor needs to be operated for achieving the tritium break-even during the initial start-up phase due to the finite tritium breeding time that is dependent on the tritium breeder, specific structure of breeding zone, layout of coolant flow pipe, tritium recovery scheme, extraction process, the tritium retention of reactor components, unrecoverable tritium fraction in breeder, leakage to the inertial gas container, and the natural decay etc., we describe this new phenomenon and answer this problem by setting up and by solving a set of equations, which express a dynamic subsystem model of the tritium inventory evolution in a fusion experimental breeder (FEB). It is found that the tritium burn-up depth is 317g and the tritium break-even time is approximately 240 full power days for FEB designed detail configuration and it is also found that after one-year operation, the tritium storage reaches 1.18kg that is more than theleast required amount of tritium storage to start up three of FEB-like fusion reactors.

  3. Fuel burnup analysis for IRIS reactor using MCNPX and WIMS-D5 codes

    Science.gov (United States)

    Amin, E. A.; Bashter, I. I.; Hassan, Nabil M.; Mustafa, S. S.

    2017-02-01

    International Reactor Innovative and Secure (IRIS) reactor is a compact power reactor designed with especial features. It contains Integral Fuel Burnable Absorber (IFBA). The core is heterogeneous both axially and radially. This work provides the full core burn up analysis for IRIS reactor using MCNPX and WIMDS-D5 codes. Criticality calculations, radial and axial power distributions and nuclear peaking factor at the different stages of burnup were studied. Effective multiplication factor values for the core were estimated by coupling MCNPX code with WIMS-D5 code and compared with SAS2H/KENO-V code values at different stages of burnup. The two calculation codes show good agreement and correlation. The values of radial and axial powers for the full core were also compared with published results given by SAS2H/KENO-V code (at the beginning and end of reactor operation). The behavior of both radial and axial power distribution is quiet similar to the other data published by SAS2H/KENO-V code. The peaking factor values estimated in the present work are close to its values calculated by SAS2H/KENO-V code.

  4. Comparison of neutron cross sections for selected fission products and isotopic composition analyses with burnup

    Energy Technology Data Exchange (ETDEWEB)

    Kim, D. H.; Gil, C. S.; Kim, J. D.; Jang, J. H.; Lee, Y. D. [KAERI, Taejon (Korea)

    2003-10-01

    The neutron absorption cross sections for 18 fission products evaluated within the framework of the KAERI-BNL international collaboration have been compared with the ENDF/B-VI release 7. Also, the influence of the new evaluations on isotopic compositions of the fission products as a function of burnup has been analyzed through the OECD/NEA burnup credit criticality benchmarks (Phase 1B) and the LWR/Pu recycling benchmarks. These calculations were performed by WIMSD-5B with the 69 group libraries prepared from three evaluated nuclear data libraries: ENDF/B-VI.7, ENDF/B-VI.8 including new evaluations in resonance region covering thermal region, and ENDF/B-VII expected including those in upper resonance region up to 20 MeV. For Xe-131, the composition calculated with ENDF/B-VI.8 shows maximum difference of 4.78% compared to ENDF/B-VI.7. However, the isotopic compositions of all fission products calculated with ENDF/B-VII shows no differences compared to ENDF/B-VI.7.

  5. EBSD and TEM characterization of high burn-up mixed oxide fuel

    Science.gov (United States)

    Teague, Melissa; Gorman, Brian; Miller, Brandon; King, Jeffrey

    2014-01-01

    Understanding and studying the irradiation behavior of high burn-up oxide fuel is critical to licensing of future fast breeder reactors. Advancements in experimental techniques and equipment are allowing for new insights into previously irradiated samples. In this work dual column focused ion beam (FIB)/scanning electron microscope (SEM) was utilized to prepared transmission electron microscope samples from mixed oxide fuel with a burn-up of 6.7% FIMA. Utilizing the FIB/SEM for preparation resulted in samples with a dose rate of <0.5 mRem/h compared to ∼1.1 R/h for a traditionally prepared TEM sample. The TEM analysis showed that the sample taken from the cooler rim region of the fuel pellet had ∼2.5× higher dislocation density than that of the sample taken from the mid-radius due to the lower irradiation temperature of the rim. The dual column FIB/SEM was additionally used to prepared and serially slice ∼25 μm cubes. High quality electron back scatter diffraction (EBSD) were collected from the face at each step, showing, for the first time, the ability to obtain EBSD data from high activity irradiated fuel.

  6. Evaluation of the HTTR criticality and burnup calculations with continuous-energy and multigroup cross sections

    Energy Technology Data Exchange (ETDEWEB)

    Chiang, Min-Han; Wang, Jui-Yu [Institute of Nuclear Engineering and Science, National Tsing Hua University, 101, Section 2, Kung-Fu Road, Hsinchu 30013, Taiwan (China); Sheu, Rong-Jiun, E-mail: rjsheu@mx.nthu.edu.tw [Institute of Nuclear Engineering and Science, National Tsing Hua University, 101, Section 2, Kung-Fu Road, Hsinchu 30013, Taiwan (China); Department of Engineering System and Science, National Tsing Hua University, 101, Section 2, Kung-Fu Road, Hsinchu 30013, Taiwan (China); Liu, Yen-Wan Hsueh [Institute of Nuclear Engineering and Science, National Tsing Hua University, 101, Section 2, Kung-Fu Road, Hsinchu 30013, Taiwan (China); Department of Engineering System and Science, National Tsing Hua University, 101, Section 2, Kung-Fu Road, Hsinchu 30013, Taiwan (China)

    2014-05-01

    The High Temperature Engineering Test Reactor (HTTR) in Japan is a helium-cooled graphite-moderated reactor designed and operated for the future development of high-temperature gas-cooled reactors. Two detailed full-core models of HTTR have been established by using SCALE6 and MCNP5/X, respectively, to study its neutronic properties. Several benchmark problems were repeated first to validate the calculation models. Careful code-to-code comparisons were made to ensure that two calculation models are both correct and equivalent. Compared with experimental data, the two models show a consistent bias of approximately 20–30 mk overestimation in effective multiplication factor for a wide range of core states. Most of the bias could be related to the ENDF/B-VII.0 cross-section library or incomplete modeling of impurities in graphite. After that, a series of systematic analyses was performed to investigate the effects of cross sections on the HTTR criticality and burnup calculations, with special interest in the comparison between continuous-energy and multigroup results. Multigroup calculations in this study were carried out in 238-group structure and adopted the SCALE double-heterogeneity treatment for resonance self-shielding. The results show that multigroup calculations tend to underestimate the system eigenvalue by a constant amount of ∼5 mk compared to their continuous-energy counterparts. Further sensitivity studies suggest the differences between multigroup and continuous-energy results appear to be temperature independent and also insensitive to burnup effects.

  7. The Design of a Chemical Virtual Instrument Based on LabVIEW for Determining Temperatures and Pressures.

    Science.gov (United States)

    Wang, Wen-Bin; Li, Jang-Yuan; Wu, Qi-Jun

    2007-01-01

    A LabVIEW-based self-constructed chemical virtual instrument (VI) has been developed for determining temperatures and pressures. It can be put together easily and quickly by selecting hardware modules, such as the PCI-DAQ card or serial port method, different kinds of sensors, signal-conditioning circuits or finished chemical instruments, and software modules such as data acquisition, saving, proceeding. The VI system provides individual and extremely flexible solutions for automatic measurements in physical chemistry research.

  8. Preliminary Content Evaluation of the North Anna High Burn-Up Sister Fuel Rod Segments for Transportation in the 10-160B and NAC-LWT

    Energy Technology Data Exchange (ETDEWEB)

    Ketusky, E. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL)

    2016-08-09

    The U.S. Department of Energy’s (DOE’s) Used Fuel Disposition Campaign (UFDC) Program has transported high-burnup nuclear sister fuel rods from a commercial nuclear power plant for purposes of evaluation and testing. The evaluation and testing of high-burnup used nuclear fuel is integral to DOE initiatives to collect information useful in determining the integrity of fuel cladding for future safe transportation of the fuel, and for determining the effects of aging, on the integrity of UNF subjected to extended storage and subsequent transportation. The UFDC Program, in collaboration with the U.S. Nuclear Regulatory Commission and the commercial nuclear industry, has obtained individual used nuclear fuel rods for testing. The rods have been received at Oak Ridge National Laboratory (ORNL) for both separate effects testing (SET) and small-scale testing (SST). To meet the research objectives, testing on multiple 6 inch fuel rod pins cut from the rods at ORNL will be performed at Pacific Northwest National Laboratory (PNNL). Up to 10 rod equivalents will be shipped. Options were evaluated for multiple shipments using the 10-160B (based on 4.5 rod equivalents) and a single shipment using the NAC-LWT. Based on the original INL/Virginia Power transfer agreement, the rods are assumed to 152 inches in length with a 0.374-inch diameter. This report provides a preliminary content evaluation for use of the 10-160B and NAC-LWT for transporting those fuel rod pins from ORNL to PNNL. This report documents the acceptability of using these packagings to transport the fuel segments from ORNL to PNNL based on the following evaluations: enrichment, A2 evaluation, Pu-239 FGE evaluation, heat load, shielding (both gamma and neutron), and content weight/structural evaluation.

  9. Preparation and Determination of the Physical and Chemical Properties of Margarine

    Directory of Open Access Journals (Sweden)

    Habazin, S.

    2012-02-01

    Full Text Available Nutrition is one of the most basic needs of the human body. It ensures the introduction of substances needed to sustain life of the organism, its growth and proper development. In the food pyramid, fats together with carbohydrates are at the very top. One source of fat in human nutrition is margarine. Margarine comprises at least 82 % vegetable fats and 16 % water. The remainder consists of lecithin, sugar, salt, colours, and vitamins.The margarine production process involves hydrogenation of vegetable fats, assembling the margarine mixture, emulsifying, crystallization and packing.The objective of this study was to show that margarine could be prepared in a school laboratory under conditions that are applicable for such laboratory. Meaning:a In a school laboratory at normal pressure and at elevated temperature with nickel as catalyst, i.e. without the use of an autoclave, carry out the reaction of hydrogenation soybean and palm oil in order to obtain a vegetable fat that is the basic ingredient of margarine. During the preparation of margarine, the hydrogenation reaction was carefully monitored by determining the iodine value.b Preparation of margarine obtained from vegetable fats.c Determination and comparison of selected physical and chemical properties of the product with the same properties of several types of margarines available on the market. The following properties were determined:– Melting point, in order to obtain composition of fat phase and determine suitability for humanuse.– Acid value, as an indicator of the amount of free fatty acids that influence the taste.– Peroxide value, for insight into the oxidative stability of fats.This work has shown that it is possible to make vegetable fat in a school lab by hydrogenation of vegetable oils. Unlike the industrial process of hydrogenation carried out under a pressure of 0.36 to 2 atm, which takes about two hours, our reaction was carried out at atmospheric pressure but with a

  10. Determining airborne concentrations of spatial repellent chemicals in mosquito behavior assay systems.

    Directory of Open Access Journals (Sweden)

    Nicholas J Martin

    Full Text Available BACKGROUND: Mosquito behavior assays have been used to evaluate the efficacy of vector control interventions to include spatial repellents (SR. Current analytical methods are not optimized to determine short duration concentrations of SR active ingredients (AI in air spaces during entomological evaluations. The aim of this study was to expand on our previous research to further validate a novel air sampling method to detect and quantitate airborne concentrations of a SR under laboratory and field conditions. METHODOLOGY/PRINCIPAL FINDINGS: A thermal desorption (TD gas chromatography-mass spectrometry (GC-MS method was used to determine the amount of dichlorodiphenyltrichloroethane (DDT in samples of air. During laboratory experiments, 1 L volumes of air were collected over 10 min intervals from a three-chamber mosquito behavior assay system. Significantly higher levels of airborne DDT were measured in the chamber containing textiles treated with DDT compared to chambers free of AI. In the field, 57 samples of air were collected from experimental huts with and without DDT for onsite analysis. Airborne DDT was detected in samples collected from treated huts. The mean DDT air concentrations in these two huts over a period of four days with variable ambient temperature were 0.74 µg/m(3 (n = 17; SD = 0.45 and 1.42 µg/m(3 (n = 30; SD = 0.96. CONCLUSIONS/SIGNIFICANCE: The results from laboratory experiments confirmed that significantly different DDT exposure conditions existed in the three-chamber system establishing a chemical gradient to evaluate mosquito deterrency. The TD GC-MS method addresses a need to measure short-term (<1 h SR concentrations in small volume (<100 L samples of air and should be considered for standard evaluation of airborne AI levels in mosquito behavior assay systems. Future studies include the use of TD GC-MS to measure other semi-volatile vector control compounds.

  11. Simultaneous determination of urea and melamine in milk powder by nonlinear chemical fingerprint technique.

    Science.gov (United States)

    Ma, Yongjie; Dong, Wenbin; Bao, Hongliang; Fang, Yue; Fan, Cheng

    2017-04-15

    This paper proposed a nonlinear chemical fingerprint method for simultaneous determination of urea and melamine in milk powder using "H(+)+Ce(4+)+BrO3(-)+malonic acid" as reaction system. A multiple linear relationship was obtained between the adulterants content in milk powder and inductive time of corresponding mixed milk powder. System analysis model established with classical least squares (CLS) method was then used to calculate the content of urea and melamine in milk powder. The method was successfully applied to milk powder samples and had good recoveries in the range of 99.17-100.25%, with the relative standard deviation (RSD) in the range of 0.60-4.12%. The limits of detection for urea and melamine were 0.33μg·g(-1) and 0.05μg·g(-1), respectively. The limits of quantification were 1.11μg·g(-1) and 0.18μg·g(-1), respectively. The results indicated that the new method was feasible and had the advantages of low cost, simple operation and without pretreatment of samples.

  12. Theoretical determination of chemical rate constants using novel time-dependent methods

    Science.gov (United States)

    Dateo, Christopher E.

    1994-01-01

    The work completed within the grant period 10/1/91 through 12/31/93 falls primarily in the area of reaction dynamics using both quantum and classical mechanical methodologies. Essentially four projects have been completed and have been or are in preparation of being published. The majority of time was spent in the determination of reaction rate coefficients in the area of hydrocarbon fuel combustion reactions which are relevant to NASA's High Speed Research Program (HSRP). These reaction coefficients are important in the design of novel jet engines with low NOx emissions, which through a series of catalytic reactions contribute to the deterioration of the earth's ozone layer. A second area of research studied concerned the control of chemical reactivity using ultrashort (femtosecond) laser pulses. Recent advances in pulsed-laser technologies have opened up a vast new field to be investigated both experimentally and theoretically. The photodissociation of molecules adsorbed on surfaces using novel time-independent quantum mechanical methods was a third project. And finally, using state-of-the-art, high level ab initio electronic structure methods in conjunction with accurate quantum dynamical methods, the rovibrational energy levels of a triatomic molecule with two nonhydrogen atoms (HCN) were calculated to unprecedented levels of agreement between theory and experiment.

  13. Evaluating chemical extraction techniques for the determination of uranium oxidation state in reduced aquifer sediments.

    Science.gov (United States)

    Stoliker, Deborah L; Campbell, Kate M; Fox, Patricia M; Singer, David M; Kaviani, Nazila; Carey, Minna; Peck, Nicole E; Bargar, John R; Kent, Douglas B; Davis, James A

    2013-08-20

    Extraction techniques utilizing high pH and (bi)carbonate concentrations were evaluated for their efficacy in determining the oxidation state of uranium (U) in reduced sediments collected from Rifle, CO. Differences in dissolved concentrations between oxic and anoxic extractions have been proposed as a means to quantify the U(VI) and U(IV) content of sediments. An additional step was added to anoxic extractions using a strong anion exchange resin to separate dissolved U(IV) and U(VI). X-ray spectroscopy showed that U(IV) in the sediments was present as polymerized precipitates similar to uraninite and/or less ordered U(IV), referred to as non-uraninite U(IV) species associated with biomass (NUSAB). Extractions of sediment containing both uraninite and NUSAB displayed higher dissolved uranium concentrations under oxic than anoxic conditions while extractions of sediment dominated by NUSAB resulted in identical dissolved U concentrations. Dissolved U(IV) was rapidly oxidized under anoxic conditions in all experiments. Uraninite reacted minimally under anoxic conditions but thermodynamic calculations show that its propensity to oxidize is sensitive to solution chemistry and sediment mineralogy. A universal method for quantification of U(IV) and U(VI) in sediments has not yet been developed but the chemical extractions, when combined with solid-phase characterization, have a narrow range of applicability for sediments without U(VI).

  14. Evaluating chemical extraction techniques for the determination of uranium oxidation state in reduced aquifer sediments

    Science.gov (United States)

    Stoliker, Deborah L.; Campbell, Kate M.; Fox, Patricia M.; Singer, David M.; Kaviani, Nazila; Carey, Minna; Peck, Nicole E.; Barger, John R.; Kent, Douglas B.; Davis, James A.

    2013-01-01

    Extraction techniques utilizing high pH and (bi)carbonate concentrations were evaluated for their efficacy in determining the oxidation state of uranium (U) in reduced sediments collected from Rifle, CO. Differences in dissolved concentrations between oxic and anoxic extractions have been proposed as a means to quantify the U(VI) and U(IV) content of sediments. An additional step was added to anoxic extractions using a strong anion exchange resin to separate dissolved U(IV) and U(VI). X-ray spectroscopy showed that U(IV) in the sediments was present as polymerized precipitates similar to uraninite and/or less ordered U(IV), referred to as non-uraninite U(IV) species associated with biomass (NUSAB). Extractions of sediment containing both uraninite and NUSAB displayed higher dissolved uranium concentrations under oxic than anoxic conditions while extractions of sediment dominated by NUSAB resulted in identical dissolved U concentrations. Dissolved U(IV) was rapidly oxidized under anoxic conditions in all experiments. Uraninite reacted minimally under anoxic conditions but thermodynamic calculations show that its propensity to oxidize is sensitive to solution chemistry and sediment mineralogy. A universal method for quantification of U(IV) and U(VI) in sediments has not yet been developed but the chemical extractions, when combined with solid-phase characterization, have a narrow range of applicability for sediments without U(VI).

  15. Chemical shift tensor determination using magnetically oriented microcrystal array (MOMA): 13C solid-state CP NMR without MAS

    Science.gov (United States)

    Kusumi, R.; Kimura, F.; Song, G.; Kimura, T.

    2012-10-01

    Chemical shift tensors for the carboxyl and methyl carbons of L-alanine crystals were determined using a magnetically oriented microcrystal array (MOMA) prepared from a microcrystalline powder sample of L-alanine. A MOMA is a single-crystal-like composite in which microcrystals are aligned three-dimensionally in a matrix resin. The single-crystal rotation method was applied to the MOMA to determine the principal values and axes of the chemical shift tensors. The result showed good agreement with the literature data for the single crystal of L-alanine. This demonstrates that the present technique is a powerful tool for determining the chemical shift tensor of a crystal from a microcrystal powder sample.

  16. Inferential protein structure determination and refinement using fast, electronic structure based backbone amide chemical shift predictions

    CERN Document Server

    Christensen, Anders S

    2015-01-01

    This report covers the development of a new, fast method for calculating the backbone amide proton chemical shifts in proteins. Through quantum chemical calculations, structure-based forudsiglese the chemical shift for amidprotonen in protein has been parameterized. The parameters are then implemented in a computer program called Padawan. The program has since been implemented in protein folding program Phaistos, wherein the method andvendes to de novo folding of the protein structures and to refine the existing protein structures.

  17. Molecular determinants for ATP-binding in proteins: a data mining and quantum chemical analysis.

    Science.gov (United States)

    Mao, Lisong; Wang, Yanli; Liu, Yuemin; Hu, Xiche

    2004-02-20

    Adenosine 5'-triphosphate (ATP) plays an essential role in all forms of life. Molecular recognition of ATP in proteins is a subject of great importance for understanding enzymatic mechanism and for drug design. We have carried out a large-scale data mining of the Protein Data Bank (PDB) to analyze molecular determinants for recognition of the adenine moiety of ATP by proteins. Non-bonded intermolecular interactions (hydrogen bonding, pi-pi stacking interactions, and cation-pi interactions) between adenine base and surrounding residues in its binding pockets are systematically analyzed for 68 non-redundant, high-resolution crystal structures of adenylate-binding proteins. In addition to confirming the importance of the widely known hydrogen bonding, we found out that cation-pi interactions between adenine base and positively charged residues (Lys and Arg) and pi-pi stacking interactions between adenine base and surrounding aromatic residues (Phe, Tyr, Trp) are also crucial for adenine binding in proteins. On average, there exist 2.7 hydrogen bonding interactions, 1.0 pi-pi stacking interactions, and 0.8 cation-pi interactions in each adenylate-binding protein complex. Furthermore, a high-level quantum chemical analysis was performed to analyze contributions of each of the three forms of intermolecular interactions (i.e. hydrogen bonding, pi-pi stacking interactions, and cation-pi interactions) to the overall binding force of the adenine moiety of ATP in proteins. Intermolecular interaction energies for representative configurations of intermolecular complexes were analyzed using the supermolecular approach at the MP2/6-311 + G* level, which resulted in substantial interaction strengths for all the three forms of intermolecular interactions. This work represents a timely undertaking at a historical moment when a large number of X-ray crystallographic structures of proteins with bound ATP ligands have become available, and when high-level quantum chemical analysis of

  18. Rapid determination of tritium in groundwater. Colour and chemical quenching studies - Rapid determination of tritium in groundwater. Color and chemical quenching study

    Energy Technology Data Exchange (ETDEWEB)

    Fons, Jordi; Diaz, Vladimir; Badia, Andrea; Tent-Petrus, Joana; Llaurado, Montserrat [Laboratori de Radiologia Ambiental, University of Barcelona, Marti i Franques 1-11 3th floor, Barcelona (Spain)

    2014-07-01

    The determination of tritium in natural waters is useful in a wide range of environmental studies such as aquifer dating. Furthermore, tritiated water is used as a substance to trace groundwater flow systems, as well as in lab or in-situ studies of sorption and diffusion of water in clays or soils. Tritium has also an important interest for human and environmental health. For this reason it is included as a parameter in international legislation on the quality of drinking water [Council Directive 98/83/EC]. Tritium determination is performed using liquid scintillation counting. Do to the fact that tritium is a low energy beta emitter, its measurement is high greatly affected by quenching. Quenching in groundwater samples may result from a wide variety of components in a sample. To avoid it, it is usual to determine tritium applying a previous distillation step but, when rapid measurement is needed, a direct method is necessary and may leave quenching agents that interfere with the measurement. In this study quench effects in tritium determination are examined in order to correct the direct measurements. To fulfil this aim, different types of quenchers had been studied. Inorganic coloured solutions, organic inks, uncoloured organic substances and acids were used as quenching agents in vials with an approximately 30 Bq of {sup 3}H activity. The measurements were performed with Ultima Gold AB as a cocktail in a Wallac Quantulus'T'M 1220 counter. Counting efficiency was related to the SQP[E] quenching parameter for each type of quenching agent. In order to validate the usefulness of these quenching curves, coloured water samples from acid metalliferous drainage collected near Barcelona were spiked with a known amount of tritium. Determination was carried out by liquid scintillation counting applying the efficiency obtained with the quenching curve for the SQP[E] for each sample. These results are in complete accordance with both the amount of tritium added

  19. Conceptual design study on an upgraded future Monju core (2). Core concept with extended refueling interval and increased fuel burnup

    Energy Technology Data Exchange (ETDEWEB)

    Kinjo, Hidehito; Ishibashi, Jun-ichi; Nishi, Hiroshi [Japan Nuclear Cycle Development Inst., Tsuruga Head Office, International Cooperation and Technology Development Center, Tsuruga, Fukui (Japan); Kageyama, Takeshi [Nuclear Energy System Inc., Tokyo (Japan)

    2003-03-01

    A conceptual design study has been performed at the International Cooperation and Technology Development Center to investigate the feasibility of upgraded future Monju cores with extended refueling intervals of 365efpd/cycle and increased fuel burnup of 150 GWd/t. The goal of this study is to demonstrate the possible contribution of Monju to the improved economy and to efficient utilization, as one of the major facilities for fast neutron irradiation. Two design measures have been mainly taken to improve the core fuel burnup and reactivity control characteristics for the extended operating cycle length of 1 year: (1) The driver fuel pin specification with both increased pin diameter of 7.7mm and increased active core height of about 100cm has been chosen to reduce the burnup reactivity swing, (2) The absorber control rod specification has also been changed to enhance the control rod reactivity worth by increasing {sup 10}B-enrichment and absorber length, and to adequately secure the shutdown reactivity margin. The major core characteristics have been evaluated on the core power distribution, safety parameters such as sodium void reactivity and Doppler effect, thermal hydraulics and reactivity control characteristics. The results show that this core could achieve the targeted core performances of 1-year operating cycle as well as 150GWd/t discharged burnup, without causing any significant drawback on the core characteristics and safety aspects. The upgraded core concepts have, therefore, been confirmed as feasible. (author)

  20. 78 FR 67348 - Invitation for Public Comment on Draft Test Plan for the High Burnup Dry Storage Cask Research...

    Science.gov (United States)

    2013-11-12

    ...: U.S. Department of Energy, C/O Melissa Bates, 1955 Freemont Ave., MS 1235, Idaho Falls, ID 83415..., 1955 Fremont Ave., Attn: Melissa Bates, Idaho Falls, ID, between 8 a.m. and 3:30 p.m. MT, Monday.... Melissa Bates, Contracting Officers Representative, High Burnup Dry Storage Cask Research and...

  1. Kinetic parameters study based on burn-up for improving the performance of research reactor equilibrium core

    Directory of Open Access Journals (Sweden)

    Muhammad Atta

    2014-01-01

    Full Text Available In this study kinetic parameters, effective delayed neutron fraction and prompt neutron generation time have been investigated at different burn-up stages for research reactor's equilibrium core utilizing low enriched uranium high density fuel (U3Si2-Al fuel with 4.8 g/cm3 of uranium. Results have been compared with reference operating core of Pakistan research Reactor-1. It was observed that by increasing fuel burn-up, effective delayed neutron fraction is decreased while prompt neutron generation time is increased. However, over all ratio beff/L is decreased with increasing burn-up. Prompt neutron generation time L in the understudy core is lower than reference operating core of reactor at all burn-up steps due to hard spectrum. It is observed that beff is larger in the understudy core than reference operating core of due to smaller size. Calculations were performed with the help of computer codes WIMSD/4 and CITATION.

  2. Synthesis, stereochemistry determination, pharmacological studies and quantum chemical analyses of bisthiazolidinone derivative

    Science.gov (United States)

    Mushtaque, Md.; Avecilla, Fernando; Hafeez, Zubair Bin; Jahan, Meriyam; Khan, Md. Shahzad; Rizvi, M. Moshahid A.; Khan, Mohd. Shahid; Srivastava, Anurag; Mallik, Anwesha; Verma, Saurabh

    2017-01-01

    A new compound (3) bisthaizolidinone derivative was synthesized by Knoevenagel condensation reaction. The structure of synthesized compound was elucidated by different spectral techniques and X-ray diffraction studies. The stereochemistry of the compound (3) was determined by 1Hsbnd 1H NOESY, 1Hsbnd 1H NMR COSY and single crystal X-ray diffraction studies as (Z, Z)-configuration. The computational quantum chemical studies of compound(3) like, IR, UV, NBO analysis were performed by DFT with Becke-3-Lee-Yang-Parr (B3LYP) exchange-correlation functional in combination with 6-311++G(d,p) basis sets. The DNA-binding of compound (3) exhibited a moderate binding constant (Kb = 1 × 105 Lmol-1) with hypochromic shift. The molecular docking displayed good binding affinity -7.18 kcal/mol. The MTT assay of compound (3) was screened against different cancerous cell lines, HepG2, Siha, Hela and MCF-7. Studies against these cell lines depicted that the screened compound (3) showed potent inhibitory activity against HepG2 cell (IC50 = 7.5 μM) followed by MCF-7 (IC50 = 52.0 μM), Siha (IC50 = 66.98 μM), Hela (IC50 = 74.83 μM) cell lines, and non-toxic effect against non-cancerous HEK-293 cells (IC50 = 287.89 μM) at the concentration range (0-300) μM. Furthermore, cell cycle perturbation was performed on HepG2 & Siha cell lines and observed that cells were arrested in G2/M in HepG2, and G0/G1 in Siha cell lines with respect to untreated control. Hence, compound (3) possesses potent anti-cancerous activity against HepG2 cell line.

  3. Fluid flow along North American Cordillera detachments determined from stable isotope and high resolution chemical analyses

    Science.gov (United States)

    Quilichini, A.; Teyssier, C.; Mulch, A.; Nachlas, W.

    2009-12-01

    Fluid flow is likely a major parameter controlling the dynamics of extensional detachment zones. Buoyancy-driven fluid flow is generated by high heat flow beneath the detachment zone, where heat is advected by crustal thinning and magma intrusions. This hydrothermal convective flow is focused in the detachment zone for the duration of activity of the detachment at relatively high temperature (300-500°C), resulting in very significant fluid-rock interaction and isotopic exchange. Quantifying sources and fluid flux in detachments is a challenge because permeability of ductilely deforming rocks is poorly understood. In order to solve these problems, we studied two different Eocene extensional systems in the North American Cordillera: the quartzitic detachment which borders the Kettle dome metamorphic core complex (WA), and the quartzo-feldspathic Bitterroot shear zone along the Idaho batholith (MT). The Kettle Dome detachment provides a continuous section of ~200 m thick quartzite mylonite where high-resolution sampling (~5 m) indicates that Deuterium isotopic ratios that are obtained from synkinematic muscovite grains are consistent with a meteoric fluid source (-130 per mil). In the Bitterroot shear zone, Coyner (2003) reported similar Deuterium isotopic ratios (down to -140 per mil) in muscovite from mylonites and ultramylonites. Microprobe analyses were obtained for white mica porphyroclasts by performing transects perpendicular to the basal (001) cleavage in order to determine intragrain chemical zoning. Preliminary results for the Kettle dome indicate increasing phengite composition with depth, suggesting enhanced activity of the Tschermak exchange. The variations of the phengitic signature in muscovite indicates that temperature diminuish downsection, which is contradictory with the results obtained by the Qz-Ms oxygen isotope thermometer along the Kettle section. Our recent work provides geologic data for numerical models that address the permeability of

  4. Trace determination of cobalt ion by using malic acid-malonic acid double substrate oscillating chemical system

    Institute of Scientific and Technical Information of China (English)

    Jie Wang; Wu Yang; Jie Ren; Miao Guo; Xiao Dong Chen; Wen Bin Wang; Jin Zhang Gao

    2008-01-01

    A novel kinetic method for determination of trace amounts of cobalt ion was proposed and validated. The method is based on adding malic acid into classical Belousov-Zhabotinskii (B-Z) oscillating chemical system to form a double substrate one. The results showed that when the concentration of cobalt ion was in the range of 5.27× 10-8 to 5.37×10-12mol L-1 the change of the oscillating period was directly proportional to the negative logarithm of cobalt ion concentration. The sensitivity and precision of the developed method were quite satisfactory. The limit of detection was down to 5.20 x 10-13 mol L-1 which was a highest sensitivity found for determination of metal ions using oscillating chemical reaction so far. Some factors influencing the determination were also examined. The method has been successfully used to determine cobalt ion in vitamin B12 injection.

  5. PIXE and GC-MS investigation for the determination of the chemical composition of Syrian Cuminum cyminum L.

    Science.gov (United States)

    Rihawy, M S; Bakraji, E H; Odeh, A

    2014-04-01

    The chemical composition and concentration of Syrian cumin (Cuminum cyminum L.) were investigated. The particle-induced X-ray emission (PIXE) analytical technique was used to analyze a wide range of elements from Mg to Sr. The advantages and disadvantages of the PIXE technique in plant material elemental analysis are discussed. A high level of iron was detected in the cumin samples, clarifying the possible contribution of cumin to maintaining the immune system. The contribution of the elements in cumin seeds to the dietary recommended intakes (DRI) of elements was evaluated. Additionally, GC-MS measurements were performed to determine the chemical composition of cumin essential oil. Twenty-one components were identified, and cuminaldehyde, γ-terpinene, o-cymene, limonene and β-pinene were determined to be the major constituents. A correlation between the chemical composition of cumin seeds and their use as a traditional remedy is proposed.

  6. Applicability of the MCNP-ACAB system to inventory prediction in high-burnup fuels: sensitivity/uncertainty estimates

    Energy Technology Data Exchange (ETDEWEB)

    Garcia-Herranz, N.; Cabellos, O. [Madrid Polytechnic Univ., Dept. of Nuclear Engineering (Spain); Cabellos, O.; Sanz, J. [Madrid Polytechnic Univ., 2 Instituto de Fusion Nuclear (Spain); Sanz, J. [Univ. Nacional Educacion a Distancia, Dept. of Power Engineering, Madrid (Spain)

    2005-07-01

    We present a new code system which combines the Monte Carlo neutron transport code MCNP-4C and the inventory code ACAB as a suitable tool for high burnup calculations. Our main goal is to show that the system, by means of ACAB capabilities, enables us to assess the impact of neutron cross section uncertainties on the inventory and other inventory-related responses in high burnup applications. The potential impact of nuclear data uncertainties on some response parameters may be large, but only very few codes exist which can treat this effect. In fact, some of the most reported effective code systems in dealing with high burnup problems, such as CASMO-4, MCODE and MONTEBURNS, lack this capability. As first step, the potential of our system, ruling out the uncertainty capability, has been compared with that of those code systems, using a well referenced high burnup pin-cell benchmark exercise. It is proved that the inclusion of ACAB in the system allows to obtain results at least as reliable as those obtained using other inventory codes, such as ORIGEN2. Later on, the uncertainty analysis methodology implemented in ACAB, including both the sensitivity-uncertainty method and the uncertainty analysis by the Monte Carlo technique, is applied to this benchmark problem. We estimate the errors due to activation cross section uncertainties in the prediction of the isotopic content up to the high-burnup spent fuel regime. The most relevant uncertainties are remarked, and some of the most contributing cross sections to those uncertainties are identified. For instance, the most critical reaction for Am{sup 242m} is Am{sup 241}(n,{gamma}-m). At 100 MWd/kg, the cross-section uncertainty of this reaction induces an error of 6.63% on the Am{sup 242m} concentration.The uncertainties in the inventory of fission products reach up to 30%.

  7. Uranium determination in the red blood cells of workers engaged in the chemical treatment of uranium ore

    Energy Technology Data Exchange (ETDEWEB)

    Nosek, J.; Simkova, M.; Kukula, F.; Musil, K.

    1973-10-01

    Using the neutron activation analysis method, the uranium levels were determined in red blood cells of venous blood samples from persons occupationally exposed to this metal in chemical processing plants using wet methods (6.5+-2.1ppb U) or dry methods (37.2+-20.2ppb U), and of controls (4.1+-2.6ppb U).

  8. A nylon membrane bag assay for determination of the effect of chemicals on soilborne plant pathogens in soil

    Science.gov (United States)

    A new nylon membrane bag assay was developed that can rapidly and effectively determine the impact of chemicals added to soil on soilborne plant pathogens for which there are no selective media or for which a selective medium is expensive or difficult to prepare. This assay consists of placing patho...

  9. Determination of kava lactones in food supplements by liquid chromatography-atmospheric pressure chemical ionisation tandem mass spectrometry

    NARCIS (Netherlands)

    Bobeldijk, I.; Boonzaaijer, G.; Spies-Faber, E.J.; Vaes, W.H.J.

    2005-01-01

    Reversed-phase liquid chromatography and detection with atmospheric pressure chemical ionisation tandem mass spectrometry was used for the determination of kava extracts in herbal mixtures. One percent of kava extract can be detected, corresponding to approximately 0.05-0.2 mg/g of the individual ka

  10. Determination of BROMATE AT PARTS-PER-TRILLION LEVELS BY GAS CHROMATOGRAPHY-MASS SPECTROMETRY WITH NEGATIVE CHEMICAL IONIZATION

    Science.gov (United States)

    The ozonation of bromide-containing source waters produces bromate as a class 2B carcinogenic disinfection by-product. The present work describes the determination of bromate by gas chromatography-negative chemical ionization mass spectrometry (GC-NCIMS) following a bromate react...

  11. Comparison of nuclear data uncertainty propagation methodologies for PWR burn-up simulations

    CERN Document Server

    Diez, Carlos Javier; Hoefer, Axel; Porsch, Dieter; Cabellos, Oscar

    2014-01-01

    Several methodologies using different levels of approximations have been developed for propagating nuclear data uncertainties in nuclear burn-up simulations. Most methods fall into the two broad classes of Monte Carlo approaches, which are exact apart from statistical uncertainties but require additional computation time, and first order perturbation theory approaches, which are efficient for not too large numbers of considered response functions but only applicable for sufficiently small nuclear data uncertainties. Some methods neglect isotopic composition uncertainties induced by the depletion steps of the simulations, others neglect neutron flux uncertainties, and the accuracy of a given approximation is often very hard to quantify. In order to get a better sense of the impact of different approximations, this work aims to compare results obtained based on different approximate methodologies with an exact method, namely the NUDUNA Monte Carlo based approach developed by AREVA GmbH. In addition, the impact ...

  12. Development of burnup dependent fuel rod model in COBRA-TF

    Science.gov (United States)

    Yilmaz, Mine Ozdemir

    The purpose of this research was to develop a burnup dependent fuel thermal conductivity model within Pennsylvania State University, Reactor Dynamics and Fuel Management Group (RDFMG) version of the subchannel thermal-hydraulics code COBRA-TF (CTF). The model takes into account first, the degradation of fuel thermal conductivity with high burnup; and second, the fuel thermal conductivity dependence on the Gadolinium content for both UO2 and MOX fuel rods. The modified Nuclear Fuel Industries (NFI) model for UO2 fuel rods and Duriez/Modified NFI Model for MOX fuel rods were incorporated into CTF and fuel centerline predictions were compared against Halden experimental test data and FRAPCON-3.4 predictions to validate the burnup dependent fuel thermal conductivity model in CTF. Experimental test cases from Halden reactor fuel rods for UO2 fuel rods at Beginning of Life (BOL), through lifetime without Gd2O3 and through lifetime with Gd 2O3 and a MOX fuel rod were simulated with CTF. Since test fuel rod and FRAPCON-3.4 results were based on single rod measurements, CTF was run for a single fuel rod surrounded with a single channel configuration. Input decks for CTF were developed for one fuel rod located at the center of a subchannel (rod-centered subchannel approach). Fuel centerline temperatures predicted by CTF were compared against the measurements from Halden experimental test data and the predictions from FRAPCON-3.4. After implementing the new fuel thermal conductivity model in CTF and validating the model with experimental data, CTF model was applied to steady state and transient calculations. 4x4 PWR fuel bundle configuration from Purdue MOX benchmark was used to apply the new model for steady state and transient calculations. First, one of each high burnup UO2 and MOX fuel rods from 4x4 matrix were selected to carry out single fuel rod calculations and fuel centerline temperatures predicted by CTF/TORT-TD were compared against CTF /TORT-TD /FRAPTRAN

  13. Effects of microstructural constraints on the transport of fission products in uranium dioxide at low burnups

    Science.gov (United States)

    Lim, Harn Chyi; Rudman, Karin; Krishnan, Kapil; McDonald, Robert; Dickerson, Patricia; Gong, Bowen; Peralta, Pedro

    2016-08-01

    Diffusion of fission gases in UO2 is studied at low burnups, before bubble growth and coalescence along grain boundaries (GBs) become dominant, using a 3-D finite element model that incorporates actual UO2 microstructures. Grain boundary diffusivities are assigned based on crystallography with lattice and GB diffusion coupled with temperature to account for temperature gradients. Heterogeneity of GB properties and connectivity can induce regions where concentration is locally higher than without GB diffusion. These regions are produced by "bottlenecks" in the GB network because of lack of connectivity among high diffusivity GBs due to crystallographic constraints, and they can lead to localized swelling. Effective diffusivities were calculated assuming a uniform distribution of high diffusivity among GBs. Results indicate an increase over the bulk diffusivity with a clear grain size effect and that connectivity and properties of different GBs become important factors on the variability of fission product concentration at the microscale.

  14. Accident source terms for boiling water reactors with high burnup cores.

    Energy Technology Data Exchange (ETDEWEB)

    Gauntt, Randall O.; Powers, Dana Auburn; Leonard, Mark Thomas

    2007-11-01

    The primary objective of this report is to provide the technical basis for development of recommendations for updates to the NUREG-1465 Source Term for BWRs that will extend its applicability to accidents involving high burnup (HBU) cores. However, a secondary objective is to re-examine the fundamental characteristics of the prescription for fission product release to containment described by NUREG-1465. This secondary objective is motivated by an interest to understand the extent to which research into the release and behaviors of radionuclides under accident conditions has altered best-estimate calculations of the integral response of BWRs to severe core damage sequences and the resulting radiological source terms to containment. This report, therefore, documents specific results of fission product source term analyses that will form the basis for the HBU supplement to NUREG-1465. However, commentary is also provided on observed differences between the composite results of the source term calculations performed here and those reflected NUREG-1465 itself.

  15. Propagation of Uncertainty in System Parameters of a LWR Model by Sampling MCNPX Calculations - Burnup Analysis

    Science.gov (United States)

    Campolina, Daniel de A. M.; Lima, Claubia P. B.; Veloso, Maria Auxiliadora F.

    2014-06-01

    For all the physical components that comprise a nuclear system there is an uncertainty. Assessing the impact of uncertainties in the simulation of fissionable material systems is essential for a best estimate calculation that has been replacing the conservative model calculations as the computational power increases. The propagation of uncertainty in a simulation using a Monte Carlo code by sampling the input parameters is recent because of the huge computational effort required. In this work a sample space of MCNPX calculations was used to propagate the uncertainty. The sample size was optimized using the Wilks formula for a 95th percentile and a two-sided statistical tolerance interval of 95%. Uncertainties in input parameters of the reactor considered included geometry dimensions and densities. It was showed the capacity of the sampling-based method for burnup when the calculations sample size is optimized and many parameter uncertainties are investigated together, in the same input.

  16. Development, implementation, and verification of multicycle depletion perturbation theory for reactor burnup analysis

    Energy Technology Data Exchange (ETDEWEB)

    White, J.R.

    1980-08-01

    A generalized depletion perturbation formulation based on the quasi-static method for solving realistic multicycle reactor depletion problems is developed and implemented within the VENTURE/BURNER modular code system. The present development extends the original formulation derived by M.L. Williams to include nuclide discontinuities such as fuel shuffling and discharge. This theory is first described in detail with particular emphasis given to the similarity of the forward and adjoint quasi-static burnup equations. The specific algorithm and computational methods utilized to solve the adjoint problem within the newly developed DEPTH (Depletion Perturbation Theory) module are then briefly discussed. Finally, the main features and computational accuracy of this new method are illustrated through its application to several representative reactor depletion problems.

  17. Utilizing the burnup capability in MCNPX to perform depletion analysis of an MNSR fuel

    Energy Technology Data Exchange (ETDEWEB)

    Boafo, Emmanuel [Ghana atomic Energy Commission, Accra (Ghana)

    2013-07-01

    The burnup capability in the MCNPX code was utilized to perform fuel depletion analysis of the MNSR LEU core by estimating the amount of fissile material (U-235) consumed as well as the amount of plutonium formed after the reactor core expected life. The decay heat removal rate for the MNSR after reactor shutdown was also investigated due to its significance to reactor safety. The results show that 0.568 % of U-235 was burnt up after 200 days of reactor operation while the amount of plutonium formed was not significant. The study also found that the decay heat decreased exponentially after reactor shutdown confirming that the decay heat will be removed from the system by natural circulation after shut down and hence safety of the reactor is assured.

  18. Evaluation of fission product worth margins in PWR spent nuclear fuel burnup credit calculations.

    Energy Technology Data Exchange (ETDEWEB)

    Blomquist, R.N.; Finck, P.J.; Jammes, C.; Stenberg, C.G.

    1999-02-17

    Current criticality safety calculations for the transportation of irradiated LWR fuel make the very conservative assumption that the fuel is fresh. This results in a very substantial overprediction of the actual k{sub eff} of the transportation casks; in certain cases, this decreases the amount of spent fuel which can be loaded in a cask, and increases the cost of transporting the spent fuel to the repository. Accounting for the change of reactivity due to fuel depletion is usually referred to as ''burnup credit.'' The US DOE is currently funding a program aimed at establishing an actinide only burnup credit methodology (in this case, the calculated reactivity takes into account the buildup or depletion of a limited number of actinides). This work is undergoing NRC review. While this methodology is being validated on a significant experimental basis, it implicitly relies on additional margins: in particular, the absorption of neutrons by certain actinides and by all fission products is not taken into account. This provides an important additional margin and helps guarantee that the methodology is conservative provided these neglected absorption are known with reasonable accuracy. This report establishes the accuracy of fission product absorption rate calculations: (1) the analysis of European fission product worth experiments demonstrates that fission product cross-sections available in the US provide very good predictions of fission product worth; (2) this is confirmed by a direct comparison of European and US cross section evaluations; (3) accuracy of Spent Nuclear Fuel (SNF) fission product content predictions is established in a recent ORNL report where several SNF isotopic assays are analyzed; and (4) these data are then combined to establish in a conservative manner the fraction of the predicted total fission product absorption which can be guaranteed based on available experimental data.

  19. Neutron transport-burnup code MCORGS and its application in fusion fission hybrid blanket conceptual research

    Science.gov (United States)

    Shi, Xue-Ming; Peng, Xian-Jue

    2016-09-01

    Fusion science and technology has made progress in the last decades. However, commercialization of fusion reactors still faces challenges relating to higher fusion energy gain, irradiation-resistant material, and tritium self-sufficiency. Fusion Fission Hybrid Reactors (FFHR) can be introduced to accelerate the early application of fusion energy. Traditionally, FFHRs have been classified as either breeders or transmuters. Both need partition of plutonium from spent fuel, which will pose nuclear proliferation risks. A conceptual design of a Fusion Fission Hybrid Reactor for Energy (FFHR-E), which can make full use of natural uranium with lower nuclear proliferation risk, is presented. The fusion core parameters are similar to those of the International Thermonuclear Experimental Reactor. An alloy of natural uranium and zirconium is adopted in the fission blanket, which is cooled by light water. In order to model blanket burnup problems, a linkage code MCORGS, which couples MCNP4B and ORIGEN-S, is developed and validated through several typical benchmarks. The average blanket energy Multiplication and Tritium Breeding Ratio can be maintained at 10 and 1.15 respectively over tens of years of continuous irradiation. If simple reprocessing without separation of plutonium from uranium is adopted every few years, FFHR-E can achieve better neutronic performance. MCORGS has also been used to analyze the ultra-deep burnup model of Laser Inertial Confinement Fusion Fission Energy (LIFE) from LLNL, and a new blanket design that uses Pb instead of Be as the neutron multiplier is proposed. In addition, MCORGS has been used to simulate the fluid transmuter model of the In-Zinerater from Sandia. A brief comparison of LIFE, In-Zinerater, and FFHR-E will be given.

  20. Triton burnup study using scintillating fiber detector on JT-60U

    Energy Technology Data Exchange (ETDEWEB)

    Harano, Hideki [Japan Atomic Energy Research Inst., Naka, Ibaraki (Japan). Naka Fusion Research Establishment

    1997-09-01

    The DT fusion reactor cannot be realized without knowing how the fusion-produced 3.5 MeV {alpha} particles behave. The {alpha} particles` behavior can be simulated using the 1 MeV triton. To investigate the 1 MeV triton`s behavior, a new type of directional 14 MeV neutron detector, scintillating fiber (Sci-Fi) detector has been developed and installed on JT-60U in the cooperation with LANL as part of a US-Japan collaboration. The most remarkable feature of the Sci-Fi detector is that the plastic scintillating fibers are employed for the neutron sensor head. The Sci-Fi detector measures and extracts the DT neutrons from the fusion radiation field in high time resolution (10 ms) and wide dynamic range (3 decades). Triton burnup analysis code TBURN has been made in order to analyze the time evolution of DT neutron emission rate obtained by the Sci-Fi detector. The TBURN calculations reproduced the measurements fairly well, and the validity of the calculation model that the slowing down of the 1 MeV triton was classical was confirmed. The Sci-Fi detector`s directionality indicated the tendency that the DT neutron emission profile became more and more peaked with the time progress. In this study, in order to examine the effect of the toroidal field ripple on the triton burnup, R{sub p}-scan and n{sub e}-scan experiments have been performed. The R{sub p}-scan experiment indicates that the triton`s transport was increased as the ripple amplitude over the triton became larger. In the n{sub e}-scan experiment, the DT neutron emission showed the characteristic changes after the gas puffing injection. It was theoretically confirmed that the gas puffing was effective for the collisionality scan. (J.P.N.) 127 refs.

  1. High burnup effects on fuel behaviour under accident conditions: the tests CABRI REP-Na

    Science.gov (United States)

    Schmitz, Franz; Papin, Joelle

    A large, performance based, knowledge and experience in the field of nuclear fuel behaviour is available for nominal operation conditions. The database is continuously completed and precursor assembly irradiations are performed for testing of new materials and innovative designs. This procedure produces data and arguments to extend licencing limits in the permanent research for economic competitiveness. A similar effort must be devoted to the establishment of a database for fuel behaviour under off-normal and accident conditions. In particular, special attention must be given to the so-called design-basis-accident (DBA) conditions. Safety criteria are formulated for these situations and must be respected without consideration of the occurrence probability and the risk associated to the accident situation. The introduction of MOX fuel into the cores of light water reactors and the steadily increasing goal burnup of the fuel call for research work, both experimental and analytical, in the field of fuel response to DBA conditions. In 1992, a significant programme step, CABRI REP-Na, has been launched by the French Nuclear Safety and Protection Institute (IPSN) in the field of the reactivity initiated accident (RIA). After performing the nine experiments of the initial test matrix it can be concluded that important new findings have been evidenced. High burnup clad corrosion and the associated degradation of the mechanical properties of the ZIRCALOY4 clad is one of the key phenomena of the fuel behaviour under accident conditions. Equally important is the evidence that transient, dynamic fission gas effects resulting from the close to adiabatic heating introduces a new explosive loading mechanism which may lead to clad rupture under RIA conditions, especially in the case of heterogeneous MOX fuel.

  2. Qualification of the B and W Mark B fuel assembly for high burnup. Third semi-annual progress report, July-December 1979

    Energy Technology Data Exchange (ETDEWEB)

    Coleman, T.A.

    1980-03-01

    Five Babcock and Wilcox-designed Mark B (15 x 15) pressurized water reactor fuel assemblies were irradiated to extended burnups in Duke Power Company's Oconee Unit 1 reactor. An assembly average burnup of 40,000 MWd/mtU, which is about 29% greater than previous discharge burnups at Oconee 1, was attained. The nondestructive examination of these five assemblies, which have been irradiated for four fuel cycles, was begun. Data obtained included fuel assembly and fuel dimensions, water channel spacings, fuel rod surface deposit samples, and holddown spring preload forces. Visual examination of the assemblies indicated that good fuel performance was maintained through four cycles of irradiation.

  3. Development and validation of burnup dependent computational schemes for the analysis of assemblies with advanced lattice codes

    Science.gov (United States)

    Ramamoorthy, Karthikeyan

    The main aim of this research is the development and validation of computational schemes for advanced lattice codes. The advanced lattice code which forms the primary part of this research is "DRAGON Version4". The code has unique features like self shielding calculation with capabilities to represent distributed and mutual resonance shielding effects, leakage models with space-dependent isotropic or anisotropic streaming effect, availability of the method of characteristics (MOC), burnup calculation with reaction-detailed energy production etc. Qualified reactor physics codes are essential for the study of all existing and envisaged designs of nuclear reactors. Any new design would require a thorough analysis of all the safety parameters and burnup dependent behaviour. Any reactor physics calculation requires the estimation of neutron fluxes in various regions of the problem domain. The calculation goes through several levels before the desired solution is obtained. Each level of the lattice calculation has its own significance and any compromise at any step will lead to poor final result. The various levels include choice of nuclear data library and energy group boundaries into which the multigroup library is cast; self shielding of nuclear data depending on the heterogeneous geometry and composition; tracking of geometry, keeping error in volume and surface to an acceptable minimum; generation of regionwise and groupwise collision probabilities or MOC-related information and their subsequent normalization thereof, solution of transport equation using the previously generated groupwise information and obtaining the fluxes and reaction rates in various regions of the lattice; depletion of fuel and of other materials based on normalization with constant power or constant flux. Of the above mentioned levels, the present research will mainly focus on two aspects, namely self shielding and depletion. The behaviour of the system is determined by composition of resonant

  4. EVALUATION OF GEOCHEMICAL QUALITY CONTROL IN DETERMINATION OF Mn IN SOILS USING A SEQUENTIAL CHEMICAL EXTRACTION

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    Sequential chemical extraction procedure has been widely used to partition particulate trace metals into various fractions and to describe the distribution and the statue of trace metals in geo-environment. One sequential chemical extraction procedure was employed here to partition various fractions of Mn in soils. The experiment was designed with quality controlling concept in order to show sampling and analytical error. Experimental results obtained on duplicate analysis of all soil samples demonstrated that the precision was less than 10% (at 95% confidence level). The accuracy was estimated by comparing the accepted total concentration of Mn in standard reference materials (SRMs) with the measured sum of the individual fractions. The recovery of Mn from SRM1 and SRM2 was 94.1% and 98.4% , respectively. The detection limit, accuracy and precision of the sequential chemical extraction procedure were discussed in detailed. All the results suggest that the trueness of the analytical method is satisfactory.

  5. Sorptive capacities of lipids determined by passive dosing of non-polar organic chemicals

    DEFF Research Database (Denmark)

    Jahnke, Annika; Kierkegaard, Amelie; Bolinius, Damien

    VMS), chlorobenzenes and polychlorinated biphenyls via a common headspace over an olive oil donor phase to transfer the same chemical activity into the samples; iii) sampling of EOM and olive oil controls at different time points; iv) purge-and-trap extraction of the model chemicals onto ENV+ SPE cartridges, elution...... and GC/MS analysis; v) characterization of the lipid composition in all samples via NMR. Our experiments demonstrate that the sorptive capacities of the EOM samples do not differ significantly from the olive oil controls if the EOM consists of neutral lipids only. However, the EOM samples show small...

  6. Photography - Determination of thiosulphate and other residual chemicals in processed photographic films, plates and papers - Methylene blue photometric method and silver sulphide densitometric method

    CERN Document Server

    International Organization for Standardization. Geneva

    1977-01-01

    Photography - Determination of thiosulphate and other residual chemicals in processed photographic films, plates and papers - Methylene blue photometric method and silver sulphide densitometric method

  7. Minimizing chemical interference errors for the determination of lithium in brines by flame atomic absorption spectroscopy analysis

    Institute of Scientific and Technical Information of China (English)

    WEN Xianming; MA Peihua; ZHU Geqin; WU Zhiming

    2006-01-01

    Chemical interferences (ionization and oxide/hydroxide formation) on the atomic absorbance signal of lithium in FAAS analysis of brine samples are elaborated in this article. It is suggested that inadequate or overaddition of deionization buffers can lead to loss of sensitivities under particular operating conditions. In the analysis of brine samples, signal enhancing and oxide/hydroxide formation inducing signal reduction resulting from overaddition of deionization buffers can be seen with varying amounts of chemical buffers. Based on experimental results, the authors have arrived at the op timized operating conditions for the detection of lithium, under which both ionization and stable compound formation can be suppressed. This is a simplified and quick method with adequate accuracy and precision for the determination of lithium in routine brine samples from chemical plants or R&D laboratories, which contain comparable amounts of lithium with some other components.

  8. Primary Chemical Sequence Ultimately Determines Crystal Thickness in Segmented All-Aliphatic Copolymers

    NARCIS (Netherlands)

    Odarchenko, Y.I; Anokhin, D.V.; Doblas, D.; Rosenthal, M.; Hernandez, J.J.; Vidal, L.; Sijbrandi, N.J.; Kimenai, A.J.; Mes, E.P.C.; Broos, R.; Bar, G.; Dijkstra, P.J.; Feijen, J.; Soloviev, M.; Ivanov, D.A.

    2014-01-01

    Thermoplastic elastomers (TPEs) are known to exhibit a phase-separated morphology which depends on their chemical structure and processing. The design of novel TPEs with predefined properties which are also independent of the material thermal history has so far remained a challenge. The focus of thi

  9. Utilization of animal studies to determine the effects and human risks of environmental toxicants (drugs, chemicals, and physical agents).

    Science.gov (United States)

    Brent, Robert L

    2004-04-01

    Toxicology studies using animals and in vitro cellular or tissue preparations have been used to study the toxic effects and mechanism of action of drugs and chemicals and to determine the effective and safe dose of drugs in humans and the risk of toxicity from chemical exposures. Studies in pregnant animals are used to determine the risk of birth defects and other reproductive effects. There is no question that whole animal teratology studies are helpful in raising concerns about the reproductive effects of drugs and chemicals, but negative animal studies do not guarantee that these agents are free from reproductive effects. There are examples in which drug testing was negative in animals (rat and mouse) but was teratogenic in the human (thalidomide), and there are examples in which a drug was teratogenic in an animal model but not in the human (diflunisal). Testing in animals could be improved if animal dosing using the mg/kg basis were abandoned and drugs and chemicals were administered to achieve pharmacokinetically equivalent serum levels in the animal and the human. Because most human teratogens have been discovered by alert physicians or epidemiology studies, not animal studies, animal studies play a minor role in discovering teratogens. In vitro studies play an even less important role, although they are helpful in describing the cellular or tissue effects of the drugs or chemicals. One cannot determine the magnitude of human risks from these in vitro studies. Performing toxicology studies on adult animals is performed by pharmaceutical companies, chemical companies, the Food and Drug Administration, many laboratories at the National Institutes of Health, and scientific investigators in laboratories throughout the world. Although a vast amount of animal toxicology studies are performed on pregnant animals and numerous toxicology studies are performed on adult animals, there is a paucity of animal studies using newborn, infant, and juvenile animals. This

  10. Field-effect-based multifunctional hybrid sensor module for the determination of both (bio-)chemical and physical parameters

    Science.gov (United States)

    Schoening, Michael J.; Poghossian, Arshak; Schultze, J. Walter; Lueth, Hans

    2002-02-01

    Sensor systems for multi-parameter detection in fluidics usually combine different sensors, which are designed to detect either a physical or (bio-)chemical parameter. Therefore, such systems include a more complicated fabrication technology and measuring set-up. In this work, an ISFET (ion-sensitive field-effect transistor), which is well known as a (bio-)chemical sensor, is utilized as transducer for the detection of both (bio-)chemical and physical parameters. A multifunctional hybrid module for the determination of two (bio-)chemical parameters (pH, penicillin concentration) and three physical parameters (temperature, flow velocity and flow direction) using only two sensor structures, an ion generator and a reference electrode, is realized and its performance has been investigated. Here, a multifunctionality of the sensor system is achieved by means of different sensor arrangements and/or different operation modes. A Ta2O5-gate ISFET was used as transducer for all sensors. A novel time-of-flight type ISFET-based flow-velocity (flow rate) and flow-direction sensor using in-situ electrochemical generation of chemical tracers is presented. Due to the fast response of the ISFET (usually in the millisecond range), an ISFET-based flow sensor is suitable for the measurement of the flow velocity in a wide range. With regard to practical applications, pH measurements with this ISFET were performed in rain droplets.

  11. THE INVESTIGATION OF BURNUP CHARACTERISTICS USING THE SERPENT MONTE CARLO CODE FOR A SODIUM COOLED FAST REACTOR

    Directory of Open Access Journals (Sweden)

    MEHMET E. KORKMAZ

    2014-06-01

    Full Text Available In this research, we investigated the burnup characteristics and the conversion of fertile 232Th into fissile 233U in the core of a Sodium-Cooled Fast Reactor (SFR. The SFR fuel assemblies were designed for burning 232Th fuel (fuel pin 1 and 233U fuel (fuel pin 2 and include mixed minor actinide compositions. Monte Carlo simulations were performed using Serpent Code1.1.19 to compare with CRAM (Chebyshev Rational Approximation Method and TTA (Transmutation Trajectory Analysis method in the burnup calculation mode. The total heating power generated in the system was assumed to be 2000 MWth. During the reactor operation period of 600 days, the effective multiplication factor (keff was between 0.964 and 0.954 and peaking factor is 1.88867.

  12. The investigation of burnup characteristics using the serpent Monte Carlo code for a sodium cooled fast reactor

    Energy Technology Data Exchange (ETDEWEB)

    Korkmaz, Mehmet E.; Agar, Osman [Karamanoglu Mehmetbey University, Faculty of Kamil Oezdag Science, Karaman (Turkmenistan)

    2014-06-15

    In this research, we investigated the burnup characteristics and the conversion of fertile {sup 232}Th into fissile {sup 233}U in the core of a Sodium-Cooled Fast Reactor (SFR). The SFR fuel assemblies were designed for burning {sup 232}Th fuel (fuel pin 1) and {sup 233}U fuel (fuel pin 2) and include mixed minor actinide compositions. Monte Carlo simulations were performed using Serpent Code1.1.19 to compare with CRAM (Chebyshev Rational Approximation Method) and TTA (Transmutation Trajectory Analysis) method in the burnup calculation mode. The total heating power generated in the system was assumed to be 2000 MWth. During the reactor operation period of 600 days, the effective multiplication factor (keff) was between 0.964 and 0.954 and peaking factor is 1.88867.

  13. Study of irradiation induced restructuring of high burnup fuel - Use of computer and accelerator for fuel science and engineering -

    Energy Technology Data Exchange (ETDEWEB)

    Sataka, M.; Ishikawa, N.; Chimn, Y.; Nakamura, J.; Amaya, M. [Japan Atomic Energy Agency, Naka Gun (Japan); Iwasawa, M.; Ohnuma, T.; Sonoda, T. [Central Research Institute of Electric Power Industry, Tokyo (Japan); Kinoshita, M.; Geng, H. Y.; Chen, Y.; Kaneta, Y. [The Univ. of Tokyo, Tokyo (Japan); Yasunaga, K.; Matsumura, S.; Yasuda, K. [Kyushu Univ., Motooka (Japan); Iwase [Osaka Prefecture Univ., Osaka (Japan); Ichinomiya, T.; Nishiuran, Y. [Hokkaido Univ., Kitaku (Japan); Matzke, HJ. [Academy of Ceramics, Karlsruhe (Germany)

    2008-10-15

    In order to develop advanced fuel for future LWR reactors, trials were made to simulate the high burnup restructuring of the ceramics fuel, using accelerator irradiation out of pile and with computer simulation. The target is to reproduce the principal complex process as a whole. The reproduction of the grain subdivision (sub grain formation) was successful at experiments with sequential combined irradiation. It was made by recovery process of the accumulated dislocations, making cells and sub-boundaries at grain boundaries and pore surfaces. Details of the grain sub division mechanism is now in front of us outside of the reactor. Extensive computer science studies, first principle and molecular dynamics gave behavior of fission gas atoms and interstitial oxygen, assisting the high burnup restructuring.

  14. The quantum-chemical determination of group contributions to the thermodynamic properties of organophosphorus compounds

    Science.gov (United States)

    Dorofeeva, O. V.; Ryzhova, O. N.; Moiseeva, N. F.

    2008-06-01

    The enthalpies of formation, entropies, and heat capacities of 95 organophosphorus derivatives calculated by nonempirical quantum-chemical methods were used to develop the additive method for estimating the thermodynamic properties of these compounds. 86 group contribution values were obtained for estimating the thermodynamic properties of diverse organic derivatives of phosphorus in the oxidation states 3 and 5 (three-and four-coordinate phosphorus atoms).

  15. EVALUATION OF GEOCHEMICAL QUALITY CONTROL IN DETERMINATION OF Mn IN SOILS USING A SEQUENTIAL CHEMICAL EXTRACTION

    Institute of Scientific and Technical Information of China (English)

    DONGDe-ming; FANGChun-sheng; 等

    2002-01-01

    Sequential chemical extraction procedure has been widely used to partition particulate trace metals into vari-ous fractions and to describe the distribution and the statue of trace metals in geo-environment.One sequential chemical extraction procedure was employed here to partition various fractions of Mn in soils.The experiment was designed with quality controlling concept in order to show sampling and analytical error.Experimental results obtained on duplicate analy-sis of all soil samples demonstrated that the precision was less than 10%(at 95% confidence level).The accuracy was estimated by comparing the accepted total concentration of Mn in standard reference materials (SRMs) with the measured sum of the individual fractions.The recovery of Mn from SRM1 and SRM2 was 94.1% and 98.4%,respectively.The detection limit,accuracy and precision of the sequential chemical extraction procedure were discussed in detailed.All the results suggest that the trueness of the analytical method is satisfactory.

  16. Determination of specific binding interactions at L-cystine crystal surfaces with chemical force microscopy.

    Science.gov (United States)

    Mandal, Trinanjana; Ward, Michael D

    2013-04-17

    The pathogenesis of L-cystine kidney stones involves four critical steps: nucleation, crystal growth, crystal aggregation, and crystal adhesion to cells. Although inhibition of crystal growth by L-cystine "imposters" at L-cystine crystal surfaces has been suggested as a plausible route for the suppression of stones, understanding the factors that govern crystal-crystal aggregation and adhesion of crystals to epithelial cells also is essential for devising strategies to mitigate L-cystine stone formation. Chemical force microscopy performed with atomic force microscope tips decorated with functional groups commonly found in urinary constituents that likely mediate aggregation and attachment (e.g., COOH, NH2, SH, CH3, OH) revealed signatures that reflect differences in the chemical affinity of these groups for the (001) and {100} faces of the naturally occurring hexagonal form of L-cystine single crystals and the {110} faces of the non-native tetragonal form. These signatures can be explained by the different chemical compositions of the crystal faces, and they reveal a remarkable binding specificity of the thiol group for the sulfur-rich {100} and {110} faces of the hexagonal and tetragonal forms, respectively. Collectively, these observations suggest that alterations of the crystal habit and polymorph by crystal growth inhibitors may not affect crystal aggregation or adhesion to cells significantly.

  17. Determination of organic chemicals in human whole blood: Preliminary method development for volatile organics

    Energy Technology Data Exchange (ETDEWEB)

    Cramer, P.H.; Boggess, K.E.; Hosenfeld, J.M. (Midwest Research Institute, Kansas City, MO (USA)); Remmers, J.C.; Breen, J.J.; Robinson, P.E.; Stroup, C. (Environmental Protection Agency, Washington, DC (USA))

    1988-05-01

    Extensive commercial, industrial, and domestic use of volatile organic chemicals, virtually assures that the general population will be exposed to some level of this class of chemicals. Because blood interacts with the respiratory system and is a major component of the body, it is likely that the analysis of blood will show exposure to volatile organics. Monitoring of the blood in conjunction with monitoring of xenobiotic levels in urine and adipose tissue is an effective way to assess the total body burden resulting from exposure to a chemical. This article introduces a method for the detection and confirmation of selected volatile organics at parts-per-trillion (ppt) levels in whole human blood. Intended for routine use, the method consists of a dynamic headspace purge of water-diluted blood where a carrier gas sweeps the surface of the sample and removes a quantifiable amount of the volatile organics from the blood and into an adsorbent trap. The organics are thermally desorbed from the adsorbent trap and onto the analytical column in a gas-chromatographic/mass-spectrometric (GC/MS) system where limited mass-scan data are taken for qualitative and quantitative identification. Method validation results and limited population-survey results are also presented here.

  18. Direct determination of cadmium in Orujo spirit samples by electrothermal atomic absorption spectrometry: Comparative study of different chemical modifiers

    Energy Technology Data Exchange (ETDEWEB)

    Vilar Farinas, M. [Departamento de Quimica Analitica, Nutricion y Bromatologia, Facultad de Ciencias, Universidad de Santiago de Compostela, Campus de Lugo, 27002 Lugo (Spain); Barciela Garcia, J. [Departamento de Quimica Analitica, Nutricion y Bromatologia, Facultad de Ciencias, Universidad de Santiago de Compostela, Campus de Lugo, 27002 Lugo (Spain); Garcia Martin, S. [Departamento de Quimica Analitica, Nutricion y Bromatologia, Facultad de Ciencias, Universidad de Santiago de Compostela, Campus de Lugo, 27002 Lugo (Spain); Pena Crecente, R. [Departamento de Quimica Analitica, Nutricion y Bromatologia, Facultad de Ciencias, Universidad de Santiago de Compostela, Campus de Lugo, 27002 Lugo (Spain); Herrero Latorre, C. [Departamento de Quimica Analitica, Nutricion y Bromatologia, Facultad de Ciencias, Universidad de Santiago de Compostela, Campus de Lugo, 27002 Lugo (Spain)]. E-mail: cherrero@lugo.usc.es

    2007-05-22

    In this work, several analytical methods are proposed for cadmium determination in Orujo spirit samples using electrothermal atomic absorption spectrometry (ETAAS). Permanent chemical modifiers thermally coated on the platforms inserted in pyrolytic graphite tubes (such as W, Ir, Ru, W-Ir and W-Ru) were comparatively studied in relation to common chemical modifier mixtures [Pd-Mg(NO{sub 3}){sub 2} and (NH{sub 4})H{sub 2}PO{sub 4}-Mg(NO{sub 3}){sub 2}] for cadmium stabilization. Different ETAAS Cd determination methods based on the indicated modifiers have been developed. In each case, pyrolysis and atomization temperatures, atomization shapes, characteristic masses and detection limits as well as other analytical characteristics have been determined. All the assayed modifiers (permanent and conventional) were capable of achieving the appropriate stabilization of the analyte, with the exception of Ru and W-Ru. Moreover, for all developed methods, recoveries (99-102%) and precision (R.S.D. lower than 10%) were acceptable. Taking into account the analytical performance (best detection limit LOD = 0.01 {mu}g L{sup -1}), the ETAAS method based on the use of W as a permanent modifier was selected for further direct Cd determinations in Orujo samples from Galicia (NW Spain). The chosen method was applied in the determination of the Cd content in 38 representative Galician samples. The cadmium concentrations ranged

  19. In Comparative Analysis for Fuel Burnup of Fuel Assembly Designs for the 300 kW Small Medical Reactor

    Science.gov (United States)

    Sambuu, Odmaa; Nanzad, Norov

    2009-03-01

    A 300 kW small medical reactor was designed to be used for boron neutron capture therapy (BNCT) at KAIST in 1996 [1]. In this paper, analysis for the core life cycle of the original design of the BNCT facility and modifications of the fuel assembly configuration and enrichment to get a proper life cycle were performed and a criticality, neutron flux distribution and fuel burnup calculations were carried out.

  20. Characterization of the non-uniqueness of used nuclear fuel burnup signatures through a Mesh-Adaptive Direct Search

    Energy Technology Data Exchange (ETDEWEB)

    Skutnik, Steven E., E-mail: sskutnik@utk.edu; Davis, David R.

    2016-05-01

    The use of passive gamma and neutron signatures from fission indicators is a common means of estimating used fuel burnup, enrichment, and cooling time. However, while characteristic fission product signatures such as {sup 134}Cs, {sup 137}Cs, {sup 154}Eu, and others are generally reliable estimators for used fuel burnup within the context where the assembly initial enrichment and the discharge time are known, in the absence of initial enrichment and/or cooling time information (such as when applying NDA measurements in a safeguards/verification context), these fission product indicators no longer yield a unique solution for assembly enrichment, burnup, and cooling time after discharge. Through the use of a new Mesh-Adaptive Direct Search (MADS) algorithm, it is possible to directly probe the shape of this “degeneracy space” characteristic of individual nuclides (and combinations thereof), both as a function of constrained parameters (such as the assembly irradiation history) and unconstrained parameters (e.g., the cooling time before measurement and the measurement precision for particular indicator nuclides). In doing so, this affords the identification of potential means of narrowing the uncertainty space of potential assembly enrichment, burnup, and cooling time combinations, thereby bounding estimates of assembly plutonium content. In particular, combinations of gamma-emitting nuclides with distinct half-lives (e.g., {sup 134}Cs with {sup 137}Cs and {sup 154}Eu) in conjunction with gross neutron counting (via {sup 244}Cm) are able to reasonably constrain the degeneracy space of possible solutions to a space small enough to perform useful discrimination and verification of fuel assemblies based on their irradiation history.

  1. The calculational VVER burnup Credit Benchmark No.3 results with the ENDF/B-VI rev.5 (1999)

    Energy Technology Data Exchange (ETDEWEB)

    Rodriguez Gual, Maritza [Centro de Tecnologia Nuclear, La Habana (Cuba). E-mail: mrgual@ctn.isctn.edu.cu

    2000-07-01

    The purpose of this papers to present the results of CB3 phase of the VVER calculational benchmark with the recent evaluated nuclear data library ENDF/B-VI Rev.5 (1999). This results are compared with the obtained from the other participants in the calculations (Czech Republic, Finland, Hungary, Slovaquia, Spain and the United Kingdom). The phase (CB3) of the VVER calculation benchmark is similar to the Phase II-A of the OECD/NEA/INSC BUC Working Group benchmark for PWR. The cases without burnup profile (BP) were performed with the WIMS/D-4 code. The rest of the cases have been carried with DOTIII discrete ordinates code. The neutron library used was the ENDF/B-VI rev. 5 (1999). The WIMS/D-4 (69 groups) is used to collapse cross sections from the ENDF/B-VI Rev. 5 (1999) to 36 groups working library for 2-D calculations. This work also comprises the results of CB1 (obtained with ENDF/B-VI rev. 5 (1999), too) and CB3 for cases with Burnup of 30 MWd/TU and cooling time of 1 and 5 years and for case with Burnup of 40 MWd/TU and cooling time of 1 year. (author)

  2. OECD/NEA burnup credit criticality benchmarks phase IIIA: Criticality calculations of BWR spent fuel assemblies in storage and transport

    Energy Technology Data Exchange (ETDEWEB)

    Okuno, Hiroshi; Naito, Yoshitaka [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment; Ando, Yoshihira [Toshiba Corp., Kawasaki, Kanagawa (Japan)

    2000-09-01

    The report describes the final results of Phase IIIA Benchmarks conducted by the Burnup Credit Criticality Calculation Working Group under the auspices of the Nuclear Energy Agency of the Organization for Economic Cooperation and Development (OECD/NEA). The benchmarks are intended to confirm the predictive capability of the current computer code and data library combinations for the neutron multiplication factor (k{sub eff}) of a layer of irradiated BWR fuel assembly array model. In total 22 benchmark problems are proposed for calculations of k{sub eff}. The effects of following parameters are investigated: cooling time, inclusion/exclusion of FP nuclides and axial burnup profile, and inclusion of axial profile of void fraction or constant void fractions during burnup. Axial profiles of fractional fission rates are further requested for five cases out of the 22 problems. Twenty-one sets of results are presented, contributed by 17 institutes from 9 countries. The relative dispersion of k{sub eff} values calculated by the participants from the mean value is almost within the band of {+-}1%{delta}k/k. The deviations from the averaged calculated fission rate profiles are found to be within {+-}5% for most cases. (author)

  3. Electron probe microanalysis of a METAPHIX UPuZr metallic alloy fuel irradiated to 7.0 at.% burn-up

    Science.gov (United States)

    Brémier, S.; Inagaki, K.; Capriotti, L.; Poeml, P.; Ogata, T.; Ohta, H.; Rondinella, V. V.

    2016-11-01

    The METAPHIX project is a collaboration between CRIEPI and JRC-ITU investigating safety and performance of a closed fuel cycle option based on fast reactor metal alloy fuels containing Minor Actinides (MA). The aim of the project is to investigate the behaviour of this type of fuel and demonstrate the transmutation of MA under irradiation. A UPuZr metallic fuel sample irradiated to a burn-up of 7 at.% was examined by electron probe microanalysis. The fuel sample was extensively characterised qualitatively and quantitatively using elemental X-ray imaging and point analysis techniques. The analyses reveal a significant redistribution of the fuel components along the fuel radius highlighting a nearly complete depletion of Zr in the central part of the fuel. Numerous rare earth and fission products secondary phases are present in various compositions. Fuel cladding chemical interaction was observed with creation of a number of intermediary layers affecting a cladding depth of 15-20 μm and migration of cladding elements to the fuel.

  4. Postirradiation examinations of fuel pins from the GCFR F-1 series of mixed-oxide fuel pins at 5. 5 at. % burnup

    Energy Technology Data Exchange (ETDEWEB)

    Strain, R V; Johnson, C E

    1978-05-01

    Postirradiation examinations were performed on five fuel pins from the Gas-Cooled Fast-Breeder Reactor F-1 experiment irradiated in EBR-II to a peak burnup of approximately 5.5 at. %. These encapsulated fuel pins were irradiated at peak-power linear ratings from approximately 13 to 15 kW/ft and peak cladding inside diameter temperatures from approximately 625 to 760/sup 0/C. The maximum diametral change that occurred during irradiation was 0.2% ..delta..D/D/sub 0/. The maximum fuel-cladding chemical interaction depth was 2.6 mils in fuel pin G-1 and 1 mil or less in the other three pins examined destructively. Significant migration of the volatile fission products occurred axially to the fuel-blanket interfaces. Teh postirradiation examination data indicate that fuel melted at the inner surface of the annular fuel pellets in the two highest power rating fuel pins, but little axial movement of fuel occurred.

  5. Quantum dots assisted photocatalysis for the chemiluminometric determination of chemical oxygen demand using a single interface flow system

    Energy Technology Data Exchange (ETDEWEB)

    Silvestre, Cristina I.C.; Frigerio, Christian [Requimte, Department of Chemistry, Faculty of Pharmacy, Porto University, Rua Anibal Cunha 164, 4099-030, Porto (Portugal); Santos, Joao L.M., E-mail: joaolms@ff.up.pt [Requimte, Department of Chemistry, Faculty of Pharmacy, Porto University, Rua Anibal Cunha 164, 4099-030, Porto (Portugal); Lima, Jose L.F.C. [Requimte, Department of Chemistry, Faculty of Pharmacy, Porto University, Rua Anibal Cunha 164, 4099-030, Porto (Portugal)

    2011-08-12

    Highlights: {yields} A novel flow method for the determination of chemical oxygen demand is proposed. {yields} CdTe nanocrystals are irradiated with UV light to generate strong oxidizing species. {yields} Reactive species promote a fast catalytic degradation of organic matter. {yields} Luminol is used as a chemiluminescence probe for indirect COD assessment. {yields} A single interface flow system was implemented to automate the assays. - Abstract: A novel flow method for the determination of chemical oxygen demand (COD) is proposed in this work. It relies on the combination of a fully automated single interface flow system, an on-line UV photocatalytic unit and quantum dot (QD) nanotechnology. The developed approach takes advantage of CdTe nanocrystals capacity to generate strong oxidizing species upon irradiation with UV light, which fostered a fast catalytic degradation of the organic compounds. Luminol was used as a chemiluminescence (CL) probe for indirect COD assessment, since it is easily oxidized by the QD generated species yielding a strong CL emission that is quenched in the presence of the organic matter. The proposed methodology allowed the determination of COD concentrations between 1 and 35 mg L{sup -1}, with good precision (R.S.D. < 1.1%, n = 3) and a sampling frequency of about 33 h{sup -1}. The procedure was applied to the determination of COD in wastewater certified reference materials and the obtained results showed an excellent agreement with the certified values.

  6. Comparison of wet-chemical methods for determination of lipid hydroperoxides

    DEFF Research Database (Denmark)

    Nielsen, Nina Skall; Timm Heinrich, Maike; Jacobsen, Charlotte

    2003-01-01

    Five methods for determination of lipid hydroperoxides were evaluated, including two iodometric procedures involving a titration and a spectrophotometric micro method, and three other spectrophotometric methods namely the ferro, International Dairy Federation (IDF) and FOX2 (ferrous oxidation...

  7. Goadsporin, a chemical substance which promotes secondary metabolism and Morphogenesis in streptomycetes. II. Structure determination.

    Science.gov (United States)

    Igarashi, Y; Kan, Y; Fujii, K; Fujita, T; Harada, K; Naoki, H; Tabata, H; Onaka, H; Furumai, T

    2001-12-01

    The structure of goadsporin was determined by using spectroscopic techniques. NMR analysis revealed that goadsporin consists of 19 amino acids, two of which are dehydroalanines (Deala), and six of which are cyclized to oxazoles (Oxz) and thiazoles (Thz) by dehydrative cyclization and dehydrogenation from serine, threonine and cysteine. NMR analysis established seven partial structures, and their sequence was determined by CID-MS/MS. Negative mode FAB-MS/MS gave product ions arising from charge-remote fragmentation that allowed determination of the sequence of the amino acid components as AcNH-Ala-MeOxz-Val-Deala-MeOxz-Ile-Leu-Thz-Ser-Gly-Gly-MeOxz-Leu-Deala-Oxz-Ala-Gly-Thz-Val-OH. The chiral amino acids were determined by the advanced Marfey's method to have L-configurations.

  8. SEM Characterization of the High Burn-up Microstructure of U-7Mo Alloy

    Energy Technology Data Exchange (ETDEWEB)

    Dennis D. Keiser, Jr.; Jan-Fong Jue; Jian Gan; Brandon Miller; Adam Robinson; Pavel Medvedev; James Madden; Dan Wachs; M. Teague

    2014-04-01

    During irradiation, the microstructure of U-7Mo evolves until at a fission density near 5x1021 f/cm3 a high-burnup microstructure exists that is very different than what was observed at lower fission densities. This microstructure is dominated by randomly distributed, relatively large, homogeneous fission gas bubbles. The bubble superlattice has collapsed in many microstructural regions, and the fuel grain sizes, in many areas, become sub-micron in diameter with both amorphous fuel and crystalline fuel present. Solid fission product precipitates can be found inside the fission gas bubbles. To generate more information about the characteristics of the high-fission density microstructure, three samples irradiated in the RERTR-7 experiment have been characterized using a scanning electron microscope equipped with a focused ion beam. The FIB was used to generate samples for SEM imaging and to perform 3D reconstruction of the microstructure, which can be used to look for evidence of possible fission gas bubble interlinkage.

  9. Fuel burnup analysis of the TRIGA Mark II Reactor at the University of Pavia

    CERN Document Server

    Chiesa, Davide; Pozzi, Stefano; Previtali, Ezio; Sisti, Monica; Alloni, Daniele; Magrotti, Giovanni; Manera, Sergio; Prata, Michele; Salvini, Andrea; Cammi, Antonio; Zanetti, Matteo; Sartori, Alberto

    2015-01-01

    A time evolution model was developed to study fuel burnup for the TRIGA Mark II reactor at the University of Pavia. The results were used to predict the effects of a complete core reconfiguration and the accuracy of this prediction was tested experimentally. We used the Monte Carlo code MCNP5 to reproduce system neutronics in different operating conditions and to analyse neutron fluxes in the reactor core. The software that took care of time evolution, completely designed in-house, used the neutron fluxes obtained by MCNP5 to evaluate fuel consumption. This software was developed specifically to keep into account some features that differentiate experimental reactors from power ones, such as the daily ON/OFF cycle and the long fuel lifetime. These effects can not be neglected to properly account for neutron poison accumulation. We evaluated the effect of 48 years of reactor operation and predicted a possible new configuration for the reactor core: the objective was to remove some of the fuel elements from the...

  10. Cladding stress during extended storage of high burnup spent nuclear fuel

    Science.gov (United States)

    Raynaud, Patrick A. C.; Einziger, Robert E.

    2015-09-01

    In an effort to assess the potential for low temperature creep and delayed hydride cracking failures in high burnup spent fuel cladding during extended dry storage, the U.S. NRC analytical fuel performance tools were used to predict cladding stress during a 300 year dry storage period for UO2 fuel burned up to 65 GWd/MTU. Fuel swelling correlations were developed and used along with decay gas production and release fractions to produce circumferential average cladding stress predictions with the FRAPCON-3.5 fuel performance code. The resulting stresses did not result in cladding creep failures. The maximum creep strains accumulated were on the order of 0.54-1.04%, but creep failures are not expected below at least 2% strain. The potential for delayed hydride cracking was assessed by calculating the critical flaw size required to trigger this failure mechanism. The critical flaw size far exceeded any realistic flaw expected in spent fuel at end of reactor life.

  11. Fuel failure and fission gas release in high burnup PWR fuels under RIA conditions

    Science.gov (United States)

    Fuketa, Toyoshi; Sasajima, Hideo; Mori, Yukihide; Ishijima, Kiyomi

    1997-09-01

    To study the fuel behavior and to evaluate the fuel enthalpy threshold of fuel rod failure under reactivity initiated accident (RIA) conditions, a series of experiments using pulse irradiation capability of the Nuclear Safety Research Reactor (NSRR) has been performed. During the experiments with 50 MWd/kg U PWR fuel rods (HBO test series; an acronym for high burnup fuels irradiated in Ohi unit 1 reactor), significant cladding failure occurred. The energy deposition level at the instant of the fuel failure in the test is 60 cal/g fuel, and is considerably lower than those expected and pre-evaluated. The result suggests that mechanical interaction between the fuel pellets and the cladding tube with decreased integrity due to hydrogen embrittlement causes fuel failure at the low energy deposition level. After the pulse irradiation, the fuel pellets were found as fragmented debris in the coolant water, and most of these were finely fragmented. This paper describes several key observations in the NSRR experiments, which include cladding failure at the lower enthalpy level, possible post-failure events and large fission gas release.

  12. Development and verification of fuel burn-up calculation model in a reduced reactor geometry

    Energy Technology Data Exchange (ETDEWEB)

    Sembiring, Tagor Malem [Center for Reactor Technology and Nuclear Safety (PTKRN), National Nuclear Energy Agency (BATAN), Kawasan PUSPIPTEK Gd. No. 80, Serpong, Tangerang 15310 (Indonesia)], E-mail: tagorms@batan.go.id; Liem, Peng Hong [Research Laboratory for Nuclear Reactor (RLNR), Tokyo Institute of Technology (Tokyo Tech), O-okayama, Meguro-ku, Tokyo 152-8550 (Japan)

    2008-02-15

    A fuel burn-up model in a reduced reactor geometry (2-D) is successfully developed and implemented in the Batan in-core fuel management code, Batan-FUEL. Considering the bank mode operation of the control rods, several interpolation functions are investigated which best approximate the 3-D fuel assembly radial power distributions across the core as function of insertion depth of the control rods. Concerning the applicability of the interpolation functions, it can be concluded that the optimal coefficients of the interpolation functions are not very sensitive to the core configuration and core or fuel composition in RSG GAS (MPR-30) reactor. Consequently, once the optimal interpolation function and its coefficients are derived then they can be used for 2-D routine operational in-core fuel management without repeating the expensive 3-D neutron diffusion calculations. At the selected fuel elements (at H-9 and G-6 core grid positions), the discrepancy of the FECFs (fuel element channel power peaking factors) between the 2-D and 3-D models are within the range of 3.637 x 10{sup -4}, 3.241 x 10{sup -4} and 7.556 x 10{sup -4} for the oxide, silicide cores with 250 g {sup 235}U/FE and the silicide core with 300 g {sup 235}U/FE, respectively.

  13. TEM Characterization of High Burn-up Microstructure of U-7Mo Alloy

    Energy Technology Data Exchange (ETDEWEB)

    Jian Gan; Brandon Miller; Dennis Keiser; Adam Robinson; James Madden; Pavel Medvedev; Daniel Wachs

    2014-04-01

    As an essential part of global nuclear non-proliferation effort, the RERTR program is developing low enriched U-Mo fuels (< 20% U-235) for use in research and test reactors that currently employ highly enriched uranium fuels. One type of fuel being developed is a dispersion fuel plate comprised of U-7Mo particles dispersed in Al alloy matrix. Recent TEM characterizations of the ATR irradiated U-7Mo dispersion fuel plates include the samples with a local fission densities of 4.5, 5.2, 5.6 and 6.3 E+21 fissions/cm3 and irradiation temperatures of 101-136?C. The development of the irradiated microstructure of the U-7Mo fuel particles consists of fission gas bubble superlattice, large gas bubbles, solid fission product precipitates and their association to the large gas bubbles, grain subdivision to tens or hundreds of nanometer size, collapse of bubble superlattice, and amorphisation. This presentation will describe the observed microstructures specifically focusing on the U-7Mo fuel particles. The impact of the observed microstructure on the fuel performance and the comparison of the relevant features with that of the high burn-up UO2 fuels will be discussed.

  14. Fuel Burnup and Fuel Pool Shielding Analysis for Bushehr Nuclear Reactor VVER-1000

    Science.gov (United States)

    Hadad, Kamal; Ayobian, Navid

    Bushehr Nuclear power plant (BNPP) is currently under construction. The VVER-1000 reactor will be loaded with 126 tons of about 4% enriched fuel having 3-years life cycle. The spent fuel (SF) will be transferred into the spent fuel pool (SPF), where it stays for 8 years before being transferred to Russia. The SPF plays a crucial role during 8 years when the SP resides in there. This paper investigates the shielding of this structure as it is designed to shield the SF radiation. In this study, the SF isotope inventory, for different cycles and with different burnups, was calculated using WIMS/4D transport code. Using MCNP4C nuclear code, the intensity of γ rays was obtained in different layers of SFP shields. These layers include the water above fuel assemblies (FA) in pool, concrete wall of the pool and water laid above transferring fuels. Results show that γ rays leakage from the shield in the mentioned layers are in agreement with the plant's PSAR data. Finally we analyzed an accident were the water height above the FA in the pool drops to 47 cm. In this case it was observed that exposure dose above pool, 10 and 30 days from the accident, are still high and in the levels of 1000 and 758 R/hr.

  15. MCNPX Monte Carlo burnup simulations of the isotope correlation experiments in the NPP Obrigheim

    Energy Technology Data Exchange (ETDEWEB)

    Cao Yan, E-mail: ycao@anl.go [Nuclear Engineering Division, Argonne National Laboratory, 9700 South Cass Avenue, Argonne, IL 60439 (United States); Gohar, Yousry [Nuclear Engineering Division, Argonne National Laboratory, 9700 South Cass Avenue, Argonne, IL 60439 (United States); Broeders, Cornelis H.M. [Forschungszentrum Karlsruhe, Institute for Neutron Physics and Reactor Technology, P.O. Box 3640, 76021 Karlsruhe (Germany)

    2010-10-15

    This paper describes the simulation work of the Isotope Correlation Experiment (ICE) using the MCNPX Monte Carlo computer code package. The Monte Carlo simulation results are compared with the ICE-Experimental measurements for burnup up to 30 GWD/t. The comparison shows the good capabilities of the MCNPX computer code package for predicting the depletion of the uranium fuel and the buildup of the plutonium isotopes in a PWR thermal reactor. The Monte Carlo simulation results show also good agreements with the experimental data for calculating several long-lived and stable fission products. However, for the americium and curium actinides, it is difficult to judge the predication capabilities for these actinides due to the large uncertainties in the ICE-Experimental data. In the MCNPX numerical simulations, a pin cell model is utilized to simulate the fuel lattice of the nuclear power reactor. Temperature dependent libraries based on JEFF3.1 nuclear data files are utilized for the calculations. In addition, temperature dependent libraries based ENDF/B-VII nuclear data files are utilized and the obtained results are very close to the JEFF3.1 results, except for {approx}10% differences in the prediction of the minor actinide isotopes buildup.

  16. Determination of chemical elements in africanized Apis mellifera (Hymenoptera: Apidae honey samples from the State of Piauí, Brazil

    Directory of Open Access Journals (Sweden)

    Geni da Silva Sodré

    2007-08-01

    Full Text Available Honey is a food used since the most remote times, appreciated for its characteristic flavor, considerable nutritional value and medicinal properties; however, little information exists about the presence of chemical elements in it. The objectives of this work were to determine the chemical elements present in 38 honey samples, collected directly from beekeepers from the State of Piauí, Brazil and to verify whether they presented any contamination. The chemical elements were determined by means of Total Reflection X-ray Fluorescence. The means of three replicates were: K (109.671 ± 17.487, Ca (14.471 ± 3.8797, Ti (0.112 ± 0.07, Cr (0.196 ± 0.11, Mn (0.493 ± 0.103, Fe (1.722 ± 0.446, Co (0.038, Ni (0.728 ± 0.706, Cu (0.179 ± 0.0471, Zn (0.967 ± 0.653, Se (not detected, Br (not detected, Rb (0.371 ± 0.097, Sr (0.145 ± 0.45, Ba (11.681, Hg (not detected, and Pb (0.863 µg g-1.

  17. Flow injection-chemical vapor generation atomic fluorescence spectrometry hyphenated system for organic mercury determination: A step forward

    Energy Technology Data Exchange (ETDEWEB)

    Angeli, Valeria [National Research Council of Italy, C.N.R., Istituto di Chimica dei Composti Organo Metallici - ICCOM-UOS Pisa, Area di Ricerca, Via G. Moruzzi 1, 56124 Pisa (Italy); Biagi, Simona [National Research Council of Italy, C.N.R., Istituto per i Processi Chimico-Fisici - IPCF-UOS Pisa, Area di Ricerca, Via G. Moruzzi 1, 56124 Pisa (Italy); Ghimenti, Silvia [University of Pisa, Department of Chemistry and Industrial Chemistry, Via Risorgimento 35, 56126 Pisa (Italy); Onor, Massimo; D' Ulivo, Alessandro [National Research Council of Italy, C.N.R., Istituto di Chimica dei Composti Organo Metallici - ICCOM-UOS Pisa, Area di Ricerca, Via G. Moruzzi 1, 56124 Pisa (Italy); Bramanti, Emilia, E-mail: bramanti@pi.iccom.cnr.it [National Research Council of Italy, C.N.R., Istituto di Chimica dei Composti Organo Metallici - ICCOM-UOS Pisa, Area di Ricerca, Via G. Moruzzi 1, 56124 Pisa (Italy)

    2011-11-15

    Monomethylmercury and ethylmercury were determined on line using flow injection-chemical vapor generation atomic fluorescence spectrometry without neither requiring a pre-treatment with chemical oxidants, nor UV/MW additional post column interface, nor organic solvents, nor complexing agents, such as cysteine. Inorganic mercury, monomethylmercury and ethylmercury were detected by atomic fluorescence spectrometry in an Ar/H{sub 2} miniaturized flame after sodium borohydride reduction to Hg{sup 0}, monomethylmercury hydride and ethylmercury hydride, respectively. The effect of mercury complexing agent such as cysteine, ethylendiaminotetracetic acid and HCl with respect to water and Ar/H{sub 2} microflame was investigated. The behavior of inorganic mercury, monomethylmercury and ethylmercury and their cysteine-complexes was also studied by continuous flow-chemical vapor generation atomic fluorescence spectrometry in order to characterize the reduction reaction with tetrahydroborate. When complexed with cysteine, inorganic mercury, monomethylmercury and ethylmercury cannot be separately quantified varying tetrahydroborate concentration due to a lack of selectivity, and their speciation requires a pre-separation stage (e.g. a chromatographic separation). If not complexed with cysteine, monomethylmercury and ethylmercury cannot be separated, as well, but their sum can be quantified separately with respect to inorganic mercury choosing a suitable concentration of tetrahydroborate (e.g. 10{sup -5} mol L{sup -1}), thus allowing the organic/inorganic mercury speciation. The detection limits of the flow injection-chemical vapor generation atomic fluorescence spectrometry method were about 45 nmol L{sup -1} (as mercury) for all the species considered, a relative standard deviation ranging between 1.8 and 2.9% and a linear dynamic range between 0.1 and 5 {mu}mol L{sup -1} were obtained. Recoveries of monomethylmercury and ethylmercury with respect to inorganic mercury were

  18. Thermal property change of MOX and UO2 irradiated up to high burnup of 74 GWd/t

    Science.gov (United States)

    Nakae, Nobuo; Akiyama, Hidetoshi; Miura, Hiromichi; Baba, Toshikazu; Kamimura, Katsuichiro; Kurematsu, Shigeru; Kosaka, Yuji; Yoshino, Aya; Kitagawa, Takaaki

    2013-09-01

    Thermal property is important because it controls fuel behavior under irradiation. The thermal property change at high burnup of more than 70 GWd/t is examined. Two kinds of MOX fuel rods, which were fabricated by MIMAS and SBR methods, and one referenced UO2 fuel rod were used in the experiment. These rods were taken from the pre-irradiated rods (IFA 609/626, of which irradiation test were carried out by Japanese PWR group) and re-fabricated and re-irradiated in HBWR as IFA 702 by JNES. The specification of fuel corresponds to that of 17 × 17 PWR type fuel and the axially averaged linear heat rates (LHR) of MOX rods are 25 kW/m (BOL of IFA 702) and 20 kW/m (EOL of IFA 702). The axial peak burnups achieved are about 74 GWd/t for both of MOX and UO2. Centerline temperature and plenum gas pressure were measured in situ during irradiation. The measured centerline temperature is plotted against LHR at the position where thermocouples are fixed. The slopes of MOX are corresponded to each other, but that of UO2 is higher than those of MOX. This implies that the thermal conductivity of MOX is higher than that of UO2 at high burnup under the condition that the pellet-cladding gap is closed during irradiation. Gap closure is confirmed by the metallography of the postirradiation examinations. It is understood that thermal conductivity of MOX is lower than that of UO2 before irradiation since phonon scattering with plutonium in MOX becomes remarkable. A phonon scattering with plutonium decreases in MOX when burnup proceeds. Thus, thermal conductivity of MOX becomes close to that of UO2. A reverse phenomenon is observed at high burnup region. The phonon scattering with fission products such as Nd and Zr causes a degradation of thermal conductivity of burnt fuel. It might be speculated that this scattering effect causes the phenomenon and the mechanism is discussed here.

  19. Determination of chemical changes in heat-treated wood using ATR-FTIR and FT Raman spectrometry

    Science.gov (United States)

    Özgenç, Özlem; Durmaz, Sefa; Boyaci, Ismail Hakki; Eksi-Kocak, Haslet

    2017-01-01

    In this study, attenuated total reflectance-Fourier transform infrared (ATR-FTIR) and Fourier-transform Raman (FT-Raman) spectroscopy techniques were used to determine changes in the chemical structure of heat-treated woods. For this purpose, scots pine (Pinus sylvestris L.), oriental beech (Fagus orientalis L.), and oriental spruce (Picea orientalis L.) wood species were heat-treated at different temperatures. The effect of chemical changes on the FT-Raman and ATR-FTIR bands or ratios of heat-treated wood was related with the OH association of cellulose, functional groups, and the aromatic system of lignin. The effects of heat treatment on the carbohydrate and lignin peaks varied depending on the wood species. The spectral changes that occurred after heat treatment reflected the progress of the condensation reaction of lignin. Degradation of hemicelluloses led to a decrease in free hydroxyl groups. High temperature caused crystalline cellulose to increase due to the degradation of amorphous cellulose.

  20. Determination of Electrochemical Performance and Thermo-Mechanical-Chemical Stability of SOFCs from Defect Modeling

    Energy Technology Data Exchange (ETDEWEB)

    Eric Wachsman; Keith L. Duncan

    2006-09-30

    This research was focused on two distinct but related issues. The first issue concerned using defect modeling to understand the relationship between point defect concentration and the electrochemical, thermo-chemical and mechano-chemical properties of typical solid oxide fuel cell (SOFC) materials. The second concerned developing relationships between the microstructural features of SOFC materials and their electrochemical performance. To understand the role point defects play in ceramics, a coherent analytical framework was used to develop expressions for the dependence of thermal expansion and elastic modulus on point defect concentration in ceramics. These models, collectively termed the continuum-level electrochemical model (CLEM), were validated through fits to experimental data from electrical conductivity, I-V characteristics, elastic modulus and thermo-chemical expansion experiments for (nominally pure) ceria, gadolinia-doped ceria (GDC) and yttria-stabilized zirconia (YSZ) with consistently good fits. The same values for the material constants were used in all of the fits, further validating our approach. As predicted by the continuum-level electrochemical model, the results reveal that the concentration of defects has a significant effect on the physical properties of ceramic materials and related devices. Specifically, for pure ceria and GDC, the elastic modulus decreased while the chemical expansion increased considerably in low partial pressures of oxygen. Conversely, the physical properties of YSZ remained insensitive to changes in oxygen partial pressure within the studied range. Again, the findings concurred exactly with the predictions of our analytical model. Indeed, further analysis of the results suggests that an increase in the point defect content weakens the attractive forces between atoms in fluorite-structured oxides. The reduction treatment effects on the flexural strength and the fracture toughness of pure ceria were also evaluated at

  1. Effects of chemical carcinogens and physicochemical factors on the UV spectrophotometric determination of DNA.

    Science.gov (United States)

    Kim, Hyung Sik; Byun, Soo Hyun; Lee, Byung Mu

    2005-12-10

    The ultraviolet (UV) absorbance ratio of 260/280 nm has been used as an indicator of DNA purity. However, the A260/A280 ratio may be beyond the normal range (1.8-1.9) due to physicochemical alterations produced by pH and temperature, and carcinogenic chemical modification. When the pH of the DNA solution buffer increased from 3 to 11, the A260/A280 ratio changed significantly from 1.5 to 2.2 in mixtures of DNA bases [A:T:C:G = 28.5:28.5: 21.5:21.5, i.e., (A + T)/(all four bases) = 57%, expressed as mole percent], of deoxyribonucleosides (adenosine:thymidine:cytidine:guanosine= 28.5:28.5:21.5:21.5, as mole percent), or of deoxyribonucleotides (dAMP:dTMP:dGMP:dCMP = 28.5:28.5:21.5:21.5, as mole percent) examined. The A260/A280 ratio increased with RNA contamination and exceeded 1.9 when RNA concentration was >30%, as mole percent. In contrast, the A260/A280 ratio was linearly reduced by increasing the protein concentration. Phenol (>0.02%) contamination also reduced the A260/A280 ratio to below 1.8. Benzo[a]pyrene diol epoxide (BPDE), a reactive carcinogen metabolite of benzo[a]pyrene (BaP), decreased the A260/A280 ratio correlated with the degree to which it modified the DNA. These results suggest that the UV A260/A280 ratio is significantly affected by pH and the presence of contaminating species of macromolecules and chemicals.

  2. Chemical and biological tracers to determine groundwater flow in karstic aquifer, Yucatan Peninsula

    Science.gov (United States)

    Lenczewski, M.; Leal-Bautista, R. M.; McLain, J. E.

    2013-05-01

    Little is known about the extent of pollution in groundwater in the Yucatan Peninsula; however current population growth, both from international tourism and Mexican nationals increases the potential for wastewater release of a vast array of contaminants including personal care products, pharmaceuticals (Rx), and pathogenic microorganisms. Pathogens and Rx in groundwater can persist and can be particularly acute in this region where high permeability of the karst bedrock and the lack of top soil permit the rapid transport of contaminants into groundwater aquifers. The objective of this research is to develop and utilize novel biological and chemical source tracking methods to distinguish between different sources of anthropogenic pollution in degraded groundwater. Although several methods have been used successfully to track fecal contamination sources in small scale studies, little is known about their spatial limitations, as source tracking studies rarely include sample collection over a wide geographical area and with different sources of water. In addition, although source tracking methods to distinguish human from animal fecal contamination are widely available, this work has developed source tracking distinguish between separate human populations is highly unique. To achieve this objective, we collected water samples from a series of drinking wells, cenotes (sinkholes), wastewater treatment plants, and injection wells across the Yucatan Peninsula and examine potential source tracers within the collected water samples. The result suggests that groundwater sources impacted by tourist vs. local populations contain different chemical stressors. This work has developed a more detailed understanding of the presence and persistence of personal care products, pharmaceuticals, and fecal indicators in a karstic system; such understanding will be a vital component for the protection Mexican groundwater and human health. Quantification of different pollution sources

  3. PHYSICO-CHEMICAL DETERMINATION OF CARBOHYDRATES IN THE FOODS AND BEVERAGES

    Directory of Open Access Journals (Sweden)

    I. I. Korenman

    2014-01-01

    Full Text Available Summary. The extraction of fructose, glucose, galactose, sucrose and lactose from aqueous salt solutions, hydrophilic solvents (aliphatic alcohols, alkyl acetates, ketones of double and triple mixtures has been studied. Under identical conditions set quantitative characteristics extraction has been established. It was found that from the all studied carbohydrateы most fully extracted disaccharides lactose and sucrose. The conditions of concentration and almost complete recovery of carbohydrates from aqueous salt solutions has beenoptimized. The technique of extraction-potentiometric selective determination of carbohydrates in foods and beverages has been developed. As a titrant was used isopropanol solution of boric acid. The developed method allows to determine separately the mono- or disaccharides in milk, which include those contained 5 or less carbohydrates. The complex of photocolorimetric, polarimetric, potentiometric and chromatographic methods for determining carbohydrates in aqueous media and food (diabetic confectionery, juices, dairy products, honey wasproposed. To determine the fructose, glucose and sucrose in natural juices us used optical methods (photoelectrocolorimeters, polarimetry. Method is express, does not require expensive equipment and reagents. Fructose and sucrose in diabetic confectionery was determined by ascending thin layer chromatography. Some diabetic products based on fructose, produced by Russian confectionery factorieshas beenanalyzed. Duration analysis, 50-60 minutes, selective determination of error within 5-7%. Extracts from honey and milk were analyzed potentiometrically. We have developed a technique characterized by the following advantages compared with state standards: rapidity (analysis time 30-35 min, accuracy (relative error within 5 %, does not require expensive equipment and reagents, as well as dilution and filtration of milk stage sampling.

  4. Passive Dosing to Determine the Speciation of Hydrophobic Organic Chemicals in Aqueous Samples

    DEFF Research Database (Denmark)

    Birch, Heidi; Gouliarmou, V.; Lützhøft, Hans-Christian Holten

    2010-01-01

    fraction in roof runoff (85%) and surface water (91%) was markedly higher than in runoff from paved areas, which ranged from 27 to 36%. A log K-DOC value of 5.26 was determined for Aldrich humic acid, which agrees well with reported values obtained by fluorescence quenching and solid phase microextraction...

  5. Determining the Chemical and Biological Availability of Zinc in Urban Stormwater Retention Ponds

    Science.gov (United States)

    Camponelli, K.; Casey, R.; Lev, S. M.; Landa, E. R.; Snodgrass, J.

    2005-12-01

    Highway runoff has the potential to negatively impact receiving systems due to transport of contaminants that accumulate on road surfaces. Metals such as copper and zinc are major components of automobile brake pads and tires, respectively. As these automobile parts are degraded, these metal containing particulates are deposited on the roadway and are washed into storm water retention ponds and surface water bodies during precipitation events. It has been estimated that 15 to 60% of the Zn in urban stormwater runoff comes from tire wear and that tire wear is a significant source of Zn to the environment with release inventories comparable to waste incineration sources. In urban and sub-urban systems, this large source of Zn can accumulate in stormwater retention ponds which serve as habitat for a variety of species. Understanding the chemical and biological availability of Zn to biota is integral to assessing the habitat quality of retention ponds. This study is a first effort to relate the amount and speciation of Zn in a retention pond to Zn inputs through highway-derived runoff events. In addition, results suggest that the chemical speciation and availability of particulate Zn can be related to the bioavailability and toxicity of Zn to pond organisms (i.e. larval amphibians). The study site in Owings Mills, MD is located next to a four-lane highway from which it receives runoff through a single culvert. Five species of anurans are known to utilize the pond as a breeding site and Zn in amphibian tissues and retention pond sediments were highly elevated at this site in 2001 and 2002. A recent analysis of pond sediments, soils, roadway dust and storm water collected at this site suggests that roadway particulate matter transported during runoff events is the dominant source of Zn in this system. Overall, Zn and other trace metals were found to be most abundant in the clay sized faction of pond sediments and soils. The pond cores were found to have higher Zn and Cu

  6. Displacement of estimates of chemical equilibrium constants at breaking of determinancy of independent variables of equilibrium system regression models

    Energy Technology Data Exchange (ETDEWEB)

    Nikolaeva, L.S.; Prikhod' ko, N.V.; Evseev, A.M.; Rozen, A.M.; Kolychev, A.E.; Gontar, B.G. (Moskovskij Gosudarstvennyj Univ. (USSR). Khimicheskij Fakul' tet)

    1982-07-01

    Using as an example regression models of extraction systems HNO/sub 3/-TBP-H/sub 2/O, UO/sub 2/(NO/sub 3/)/sub 2/-TBP-H/sub 2/O it has been shown that disregard of errors of the controlled (independent) variables 3% measurement error of UO/sub 2/(NO/sub 3/)/sub 2/ equilibrium concentration and 3% error of the determination of HNO/sub 3/ activity coefficient results in the displacement of evaluations of certain equilibria constants and leads to incorrect conclusion on the mechanism of chemical equilibria.

  7. Two Optimization Methods to Determine the Rate Constants of a Complex Chemical Reaction Using FORTRAN and MATLAB

    Directory of Open Access Journals (Sweden)

    Abdel-Latif A. Seoud

    2010-01-01

    Full Text Available Problem statement: For chemical reactions, the determination of the rate constants is both very difficult and a time consuming process. The aim of this research was to develop computer programs for determining the rate constants for the general form of any complex reaction at a certain temperature. The development of such program can be very helpful in the control of industrial processes as well as in the study of the reaction mechanisms. Determination of the accurate values of the rate constants would help in establishing the optimum conditions of reactor design including pressure, temperature and other parameters of the chemical reaction. Approach: From the experimental concentration-time data, initial values of rate constants were calculated. Experimental data encountered several types of errors, including temperature variation, impurities in the reactants and human errors. Simulations of a second order consecutive irreversible chemical reaction of the saponification of diethyl ester were presented as an example of the complex reactions. The rate equations (system of simultaneous differential equations of the reaction were solved to get the analytical concentration versus time profiles. The simulation results were compared with experimental results at each measured point. All deviations between experimental and calculated values were squared and summed up to form a new function. This function was fed into a minimizer routine that gave the optimal rate constants. Two optimization techniques were developed using FORTRAN and MATLAB for accurately determining the rate constants of the reaction at certain temperature from the experimental data. Results: Results showed that the two proposed programs were very efficient, fast and accurate tools to determine the true rate constants of the reaction with less 1% error. The use of the MATLAB embedded subroutines for simultaneously solving the differential equations and minimization of the error function

  8. Determination of vanadium in mussels by electrothermal atomic absorption spectrometry without chemical modifiers

    Energy Technology Data Exchange (ETDEWEB)

    Saavedra, Y.; Fernandez, P. [Centro de Control do Medio Marino, Peirao de Vilaxoan s/n, Vilagarcia de Arousa, 36611 Pontevedra (Spain); Gonzalez, A. [Departamento de Quimica Analitica, Nutricion y Bromatologia, Facultad de Quimica, 15706, Santiago de Compostela (Spain)

    2004-05-01

    A method was developed for the quantitative determination of total vanadium concentration in mussels via electrothermal atomic absorption spectrometry (ETAAS). After the microwave digestion of the samples, a program using temperatures of 1600 C and 2600 C for ashing and atomization respectively, without any matrix modifiers, allowed us to obtain results that were satisfactory since they agreed closely with certified reference material values. The detection limit was 0.03 mg kg{sup -1} (dry weight), indicating that the method is suitable for the analysis of mussel samples. This determination was compared with matrix modifiers that have been reported previously. The method was applied to various cultivated and wild mussels from the Galician coast, yielding levels below 1 mg kg{sup -1} (wet weight). (orig.)

  9. Mass spectrometric and quantum chemical determination of proton water clustering equilibria

    Science.gov (United States)

    Likholyot, Alexander; Lemke, Kono H.; Hovey, Jamey K.; Seward, Terry M.

    2007-05-01

    We report on the thermochemistry of proton hydration by water in the gas phase both experimentally using high-pressure mass spectrometry (HPMS) and theoretically using multilevel G3, G3B3, CBS-Q, CBS-QB3, CBS/QCI-APNO as well as density functional theory (DFT) calculations. Gas phase hydration enthalpies and entropies for protonated water cluster equilibria with up to 7 waters (i.e., n ⩽ 7H 3O +·(H 2O) n) were observed and exhibited non-monotonic behavior for successive hydration steps as well as enthalpy and entropy anomalies at higher cluster rank numbers. In particular, there is a significant jump in the stepwise enthalpies and entropies of cluster formation for n varying from 6 to 8. This behavior can be successfully interpreted using cluster geometries obtained from quantum chemical calculations by considering the number of additional hydrogen bonds formed at each hydration step and simultaneous weakening of ion-solvent interaction with increasing cluster size. The measured total hydration energy for the attachment of the first six water molecules around the hydronium ion was found to account for more than 60% of total bulk hydration free energy.

  10. Fungal diversity is not determined by mineral and chemical differences in serpentine substrates.

    Directory of Open Access Journals (Sweden)

    Stefania Daghino

    Full Text Available The physico-chemical properties of serpentine soils lead to strong selection of plant species. Whereas many studies have described the serpentine flora, little information is available on the fungal communities dwelling in these sites. Asbestos minerals, often associated with serpentine rocks, can be weathered by serpentine-isolated fungi, suggesting an adaptation to this substrate. In this study, we have investigated whether serpentine substrates characterized by the presence of rocks with distinct mineral composition could select for different fungal communities. Both fungal isolation and 454 pyrosequencing of amplicons obtained from serpentine samples following direct DNA extraction revealed some fungal taxa shared by the four ophiolitic substrates, but also highlighted several substrate-specific taxa. Bootstrap analysis of 454 OTU abundances indicated weak clustering of fungal assemblages from the different substrates, which did not match substrate classification based on exchangeable macronutrients and metals. Intra-substrate variability, as assessed by DGGE profiles, was similar across the four serpentine substrates, and comparable to inter-substrate variability. These findings indicate the absence of a correlation between the substrate (mineral composition and available cations and the diversity of the fungal community. Comparison of culture-based and culture-independent methods supports the higher taxonomic precision of the former, as complementation of the better performance of the latter.

  11. An optical chemical sensor for thorium (IV) determination based on thorin.

    Science.gov (United States)

    Rastegarzadeh, S; Pourreza, N; Saeedi, I

    2010-01-15

    A selective method for the determination of thorium (IV) using an optical sensor is described. The sensing membrane is prepared by immobilization of thorin-methyltrioctylammonium ion pair on triacetylcellulose polymer. The sensor produced a linear response for thorium (IV) concentration in the range of 6.46 x 10(-6) to 9.91 x 10(-5)mol L(-1) with detection limit of 1.85 x 10(-6)mol L(-1). The regeneration of optode was accomplished completely at a short time (less than 20s) with 0.1 mol L(-1) of oxalate ion solution. The relative standard deviation for ten replicate measurements of 2.15 x 10(-5) and 8.62 x 10(-5)mol L(-1) of thorium was 2.71 and 1.65%, respectively. The optode membrane exhibits good selectivity for thorium (IV) over several other ionic species and are comparable to those obtained in case of spectrophotometric determination of thorium using thorin in solution. A good agreement with the ICP-MS and spiked method was achieved when the proposed optode was applied to the determination of thorium (IV) in dust and water samples.

  12. Method validation for chemical composition determination by electron microprobe with wavelength dispersive spectrometer

    Science.gov (United States)

    Herrera-Basurto, R.; Mercader-Trejo, F.; Muñoz-Madrigal, N.; Juárez-García, J. M.; Rodriguez-López, A.; Manzano-Ramírez, A.

    2016-07-01

    The main goal of method validation is to demonstrate that the method is suitable for its intended purpose. One of the advantages of analytical method validation is translated into a level of confidence about the measurement results reported to satisfy a specific objective. Elemental composition determination by wavelength dispersive spectrometer (WDS) microanalysis has been used over extremely wide areas, mainly in the field of materials science, impurity determinations in geological, biological and food samples. However, little information is reported about the validation of the applied methods. Herein, results of the in-house method validation for elemental composition determination by WDS are shown. SRM 482, a binary alloy Cu-Au of different compositions, was used during the validation protocol following the recommendations for method validation proposed by Eurachem. This paper can be taken as a reference for the evaluation of the validation parameters more frequently requested to get the accreditation under the requirements of the ISO/IEC 17025 standard: selectivity, limit of detection, linear interval, sensitivity, precision, trueness and uncertainty. A model for uncertainty estimation was proposed including systematic and random errors. In addition, parameters evaluated during the validation process were also considered as part of the uncertainty model.

  13. Determination of the chemical properties of residues retained in individual cloud droplets by XRF microprobe at SPring-8

    Energy Technology Data Exchange (ETDEWEB)

    Ma, C.-J. E-mail: ma@uji.energy.kyoto-u.ac.jp; Tohno, S.; Kasahara, M.; Hayakawa, S

    2004-06-01

    To determine the chemical properties of residue retained in individual cloud droplets is primarily important for the understanding of rainout mechanism and aerosol modification in droplet. The sampling of individual cloud droplets were carried out on the summit of Mt. Taiko located in Tango peninsula, Kyoto prefecture, during Asian dust storm event in March of 2002. XRF microprobe system equipped at SPring-8, BL-37XU was applied to the subsequent quantification analysis of ultra trace elements in residues of individual cloud droplets. It was possible to form the replicas of separated individual cloud droplets on the thin collodion film. The two dimensional XRF maps for the residues in individual cloud droplets were clearly drawn by scanning of micro-beam. Also, XRF spectra of trace elements in residues were well resolved. From the XRF spectra for individual residues, the chemical mixed state of residues could be assumed. The chemical forms of Fe (Fe{sup +++}) and Zn (Zn{sup +}) could be clearly characterized by their K-edge micro-XANES spectra. By comparison of Z/Si mass ratios of residues in cloud droplets and those of the original sands collected in desert areas in China, the aging of ambient dust particles and their in cloud modification were indirectly assumed.

  14. Flow injection-chemical vapor generation atomic fluorescence spectrometry hyphenated system for organic mercury determination: A step forward

    Science.gov (United States)

    Angeli, Valeria; Biagi, Simona; Ghimenti, Silvia; Onor, Massimo; D'Ulivo, Alessandro; Bramanti, Emilia

    2011-11-01

    Monomethylmercury and ethylmercury were determined on line using flow injection-chemical vapor generation atomic fluorescence spectrometry without neither requiring a pre-treatment with chemical oxidants, nor UV/MW additional post column interface, nor organic solvents, nor complexing agents, such as cysteine. Inorganic mercury, monomethylmercury and ethylmercury were detected by atomic fluorescence spectrometry in an Ar/H 2 miniaturized flame after sodium borohydride reduction to Hg 0, monomethylmercury hydride and ethylmercury hydride, respectively. The effect of mercury complexing agent such as cysteine, ethylendiaminotetracetic acid and HCl with respect to water and Ar/H 2 microflame was investigated. The behavior of inorganic mercury, monomethylmercury and ethylmercury and their cysteine-complexes was also studied by continuous flow-chemical vapor generation atomic fluorescence spectrometry in order to characterize the reduction reaction with tetrahydroborate. When complexed with cysteine, inorganic mercury, monomethylmercury and ethylmercury cannot be separately quantified varying tetrahydroborate concentration due to a lack of selectivity, and their speciation requires a pre-separation stage (e.g. a chromatographic separation). If not complexed with cysteine, monomethylmercury and ethylmercury cannot be separated, as well, but their sum can be quantified separately with respect to inorganic mercury choosing a suitable concentration of tetrahydroborate (e.g. 10 - 5 mol L - 1 ), thus allowing the organic/inorganic mercury speciation. The detection limits of the flow injection-chemical vapor generation atomic fluorescence spectrometry method were about 45 nmol L - 1 (as mercury) for all the species considered, a relative standard deviation ranging between 1.8 and 2.9% and a linear dynamic range between 0.1 and 5 μmol L - 1 were obtained. Recoveries of monomethylmercury and ethylmercury with respect to inorganic mercury were never less than 91%. Flow injection-chemical

  15. Determinants of Exposure to Fragranced Product Chemical Mixtures in a Sample of Twins

    Directory of Open Access Journals (Sweden)

    Matthew O. Gribble

    2015-01-01

    Full Text Available Fragranced product chemical mixtures may be relevant for environmental health, but little is known about exposure. We analyzed results from an olfactory challenge with the synthetic musk fragrance 1,3,4,6,7,8-hexahydro-4,6,6,7,8,8-hexamethyl-cyclopento-γ-2-benzopyran (HHCB, and a questionnaire about attitudes toward chemical safety and use of fragranced products, in a sample of 140 white and 17 black twin pairs attending a festival in Ohio. Data for each product were analyzed using robust ordered logistic regressions with random intercepts for “twin pair” and “sharing address with twin”, and fixed effects for sex, age, education, and “ever being bothered by fragrances”. Due to the small number of black participants, models were restricted to white participants except when examining racial differences. Overall patterns of association were summarized across product-types through random-effects meta-analysis. Principal components analysis was used to summarize clustering of product use. The dominant axis of variability in fragranced product use was “more vs. less”, followed by a distinction between household cleaning products and personal care products. Overall, males used fragranced products less frequently than females (adjusted proportionate odds ratio 0.55, 95% confidence interval 0.33, 0.93. This disparity was driven by personal care products (0.42, 95% CI: 0.19, 0.96, rather than household cleaning products (0.79, 95% CI: 0.49, 1.25 and was particularly evident for body lotion (0.12, 95% CI: 0.05, 0.27. Overall usage differed by age (0.64, 95% CI: 0.43, 0.95 but only hand soap and shampoo products differed significantly. “Ever being bothered by fragrance” had no overall association (0.92, 95% CI: 0.65, 1.30 but was associated with laundry detergent use (0.46, 95% CI: 0.23, 0.93. Similarly, black vs. white differences on average were not significant (1.34, 95% CI: 0.55, 3.28 but there were apparent differences in use of

  16. The chemical characteristics of soil which determine phosphorus partitioning in highly calcareous soils

    Directory of Open Access Journals (Sweden)

    ANA TOPALOVIC

    2006-11-01

    Full Text Available Phosphorus fractions from three highly calcareous soils (average, 24.9 ± 4.8 %CO32- from sampling sites with aMediterranean climate were isolated by sequential extraction. In order to provide a more reliable basis for the definition of the obtained P-fractions, principal component analysis was applied and from the chemical characteristics of the 14 investigated soils, those characteristics which define the content and association features of the P-fractions were assessed. The soils are characterized by a relatively high pH (8.0 – 8.2 and by significantly differing contents of organic mater, acid-soluble Mg and total P. These differences affected the various association features of the P-fraction with the soil constituents. The NH4F–P fraction (isolated with 0.5 M NH4F, pH 8.2 is defined by the contents of the main metals of the oxide–hydroxide–clay associations (Al, Fe,Mn or by the the redox potential (Eh of Mn. The accumulation of NaOH–phosphorus (extractable with 0.1M NaOH depended on the constituents of the oxide–hydroxide–clay association, the humic substances and Eh-related factors. In those soils in whichNaOH–Pis defined by the oxide–hydroxide–clay assoiation, the participation of Fe as a bridge-forming metal is proposed. The main part of total P, i.e., DP = TP – (NH4F–P + NaOH–P is defined by the status of Mn– and Fe–humic complexes or by the concentration of hydroxyl-ions.

  17. Standard Test Method to Determine Color Change and Staining Caused by Aircraft Maintenance Chemicals upon Aircraft Cabin Interior Hard Surfaces

    CERN Document Server

    American Society for Testing and Materials. Philadelphia

    2001-01-01

    1.1 This test method covers the determination of color change and staining from liquid solutions, such as cleaning or disinfecting chemicals or both, on painted metallic surfaces and nonmetallic surfaces of materials being used inside the aircraft cabin. The effects upon the exposed specimens are measured with the AATCC Gray Scale for Color Change and AATCC Gray Color Scale for Staining. Note 1—This test method is applicable to any colored nonmetallic hard surface in contact with liquids. The selected test specimens are chosen because these materials are present in the majority of aircraft cabin interiors. 1.2This standard does not purport to address all of the safety concerns, if any, associated with its use. It is the responsibility of the user of this standard to establish appropriate safety and health practices and determine the applicability of regulatory limitations prior to use.

  18. Source Term Analysis for Reactor Coolant System with Consideration of Fuel Burnup

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Yu Jong; Ahn, Joon Gi; Hwang, Hae Ryong [KEPCO EnC, Daejeon (Korea, Republic of)

    2015-10-15

    The radiation source terms in reactor coolant system (RCS) of pressurized water reactor (PWR) are basic design information for ALARA design such as radiation protection and shielding. Usually engineering companies own self-developed computer codes to estimate the source terms in RCS. DAMSAM and FIPCO are the codes developed by engineering companies. KEPCO E and C has developed computer code, RadSTAR, for use in the Radiation Source Term Analysis for Reactor coolant system during normal operation. The characteristics of RadSTAR are as follows. (1) RadSTAR uses fuel inventory data calculated by ORIGEN, such as ORIGEN2 or ORIGEN-S to consider effects of the fuel burnup. (2) RadSTAR estimates fission products by using finite differential method and analytic method to minimize numerical error. (3) RadSTAR enhances flexibility by adding the function to build the nuclide data library (production pathway library) for user-defined nuclides from ORIGEN data library. (4) RadSTAR consists of two modules. RadSTAR-BL is to build the nuclide data library. RadSTAR-ST is to perform numerical analysis on source terms. This paper includes descriptions on the numerical model, the buildup of nuclide data library, and the sensitivity analysis and verification of RadSTAR. KEPCO E and C developed RadSTAR to calculate source terms in RCS during normal operation. Sensitivity analysis and accuracy verification showed that RadSTAR keeps stability at Δt of 0.1 day and gives more accurate results in comparison with DAMSAM. After development, RadSTAR will replace DAMSAM. The areas, necessary to further development of RadSTAR, are addition of source term calculations for activation products and for shutdown operation.

  19. FY14 Status Report: CIRFT Testing Results on High Burnup UNF

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Jy-An John [ORNL; Wang, Hong [ORNL; Jiang, Hao [ORNL

    2014-09-01

    The objective of this project is to perform a systematic study of SNF/UNF (spent nuclear fuel/or used nuclear fuel) integrity under simulated transportation environments by using hot cell testing technology developed recently at Oak Ridge National Laboratory (ORNL), CIRFT (Cyclic Integrated Reversible-Bending Fatigue Tester). Under Nuclear Regulatory Commission (NRC) sponsorship, ORNL completed four benchmarking tests, four static tests, and twelve dynamic or cycle tests on H. B. Robinson (HBR) high burn-up (HBU) fuel. With support from the US Department of Energy and the NRC, CIRFT testing has been continued. The CIRFT testing was conducted on three HBR rods (R3, R4, and R5), with two specimens failed and one specimen un-failed. The total number of cycles in the test of un-failed specimens went over 2.23 107; the test was stopped as because the specimen did not show any sign of failure. The data analysis on all the HBR SNF rods demonstrated that it is necessary to characterize the fatigue life of used fuel rods in terms of both the curvature amplitude and the maximum of absolute of curvature extremes. The latter is significant because the maxima of extremes signify the maximum of tensile stress of the outer fiber of the bending rod. So far, a large variety of hydrogen contents has been covered in the CIRFT testing on HBR rods. It has been shown that the load amplitude is the dominant factor that controls the lifetime of bending rods, but the hydrogen content also has an important effect on the lifetime attained, according to the load range tested.

  20. Determination of Heroin Based on Analyte Pulse Perturbation to an Oscillating Chemical Reaction

    Institute of Scientific and Technical Information of China (English)

    REN Jie; GAO Jin-zhang; Suo-nan; ZHAO Guo-hu; YANG Wu; L(U) Dong-yu; SUN Kan-jun; LI Chong-yang

    2004-01-01

    A new analytical method is proposed for the determination of heroin based on a sequential perturbation caused by trace amounts of heroin in the Cu ( Ⅱ )-catalyzed oscillating reaction between hydrogen peroxide and sodium thiocyanate in an alkaline medium with the aid of a continuous-flow stirred tank reactor (CSTR). The method relies on the linear relationship between the change in oscillation period of the system and the concentration of heroin, with a detecting limit of 4.0× 10-7 mol/L. The calibration curve fits a linear equation very well when the concentration of heroin is in the range of 2. 0 × 10-6- 1.2 × 10-5 mol/L (r = 0. 9971). This method features good precision(RSD= 0. 98%). The influences of temperature, injection point, flow rate and reaction variables on the oscillation period were investigated in detail and a possible mechanism of the performance of heroin in the Cu( Ⅱ )-catalyzed oscillating reaction system is also discussed. The proposed method opens a new avenue for the determination of heroin.

  1. Evaluation of the benchmark dose for point of departure determination for a variety of chemical classes in applied regulatory settings.

    Science.gov (United States)

    Izadi, Hoda; Grundy, Jean E; Bose, Ranjan

    2012-05-01

    Repeated-dose studies received by the New Substances Assessment and Control Bureau (NSACB) of Health Canada are used to provide hazard information toward risk calculation. These studies provide a point of departure (POD), traditionally the NOAEL or LOAEL, which is used to extrapolate the quantity of substance above which adverse effects can be expected in humans. This project explored the use of benchmark dose (BMD) modeling as an alternative to this approach for studies with few dose groups. Continuous data from oral repeated-dose studies for chemicals previously assessed by NSACB were reanalyzed using U.S. EPA benchmark dose software (BMDS) to determine the BMD and BMD 95% lower confidence limit (BMDL(05) ) for each endpoint critical to NOAEL or LOAEL determination for each chemical. Endpoint-specific benchmark dose-response levels , indicative of adversity, were consistently applied. An overall BMD and BMDL(05) were calculated for each chemical using the geometric mean. The POD obtained from benchmark analysis was then compared with the traditional toxicity thresholds originally used for risk assessment. The BMD and BMDL(05) generally were higher than the NOAEL, but lower than the LOAEL. BMDL(05) was generally constant at 57% of the BMD. Benchmark provided a clear advantage in health risk assessment when a LOAEL was the only POD identified, or when dose groups were widely distributed. Although the benchmark method cannot always be applied, in the selected studies with few dose groups it provided a more accurate estimate of the real no-adverse-effect level of a substance.

  2. Content Determination of Leucogen Tablets by HPLC%Guangzhou Chemical Industry

    Institute of Scientific and Technical Information of China (English)

    张姮婕

    2016-01-01

    To establishan HPLC method for content determination of Leucogen tablets, the Agilent Eclipse Plus C18 column (4. 6 m×250 mm, 5 μm) was adopted. The mobile phase consisted of phosphate buffer ( containing 1. 36 g of Potassium Dihydrogen Phosphate in 1 litre of water, adjusted to pH 3. 0 with phosphoric acid)-acetonitrile (60:40). The column temperature was kept at 35 ℃. The flow rate was 1. 0 mL · min-1 . The detection wavelength was set at 210 nm. The sample volume was 20 μL. The linear range of Leucogen was 10. 01 ~250. 2 μg · mL-1 ( r=1 ) . Theaverage recoveries were 100. 45%. The solution of Leucogen was not stable at room temperature, so should be used as soon as possible. The method of content determination of Leucogen tablets is specific, accurate and simple for content determination of Leucogen tablets.%采用高效液相色谱法测定利可君片中主药的含量。采用Agilent Eclipse Plus C18色谱柱(4.6×250 mm,5μm),流动相为磷酸二氢钾缓冲液(称取磷酸二氢钾1.36 g,加水溶解并稀释至1000 mL,用磷酸调节pH值至3.0)-乙腈(60:40),柱温35℃,流速1.0 mL·min-1,检测波长210 nm,进样量20μL。利可君在10.01~250.2μg·mL-1浓度范围内有良好的线性关系(相关系数r=1),平均回收率为100.45%。利可君溶液在室温下不稳定,应临用新制。所建方法专属性好、准确、快捷,适用于利可君片的含量测定。

  3. Determination of decimal reduction time (D value of chemical agents used in hospitals for disinfection purposes

    Directory of Open Access Journals (Sweden)

    da S Martins Alzira M

    2003-10-01

    Full Text Available Abstract Background Prior to the selection of disinfectants for low, intermediate and high (sterilizing levels, the decimal reduction time, D-value, for the most common and persistent bacteria identified at a health care facility should be determined. Methods The D-value was determined by inoculating 100 mL of disinfecting solution with 1 mL of a bacterial suspension (104 – 105 CFU/mL for vegetative and spore forms. At regular intervals, 1 mL aliquots of this mixture were transferred to 8 mL of growth media containing a neutralizing agent, and incubated at optimal conditions for the microorganism. Results The highest D-values for various bacteria were determined for the following solutions: (i 0.1% sodium dichloroisocyanurate (pH 7.0 – E. coli and A. calcoaceticus (D = 5.9 min; (ii sodium hypochlorite (pH 7.0 at 0.025% for B. stearothermophilus (D = 24 min, E. coli and E. cloacae (D = 7.5 min; at 0.05% for B. stearothermophilus (D = 9.4 min and E. coli (D = 6.1 min and 0.1% for B. stearothermophilus (D = 3.5 min and B. subtilis (D = 3.2 min; (iii 2.0% glutaraldehyde (pH 7.4 – B. stearothermophilus, B. subtilis (D = 25 min and E. coli (D = 7.1 min; (iv 0.5% formaldehyde (pH 6.5 – B. subtilis (D = 11.8 min, B. stearothermophilus (D = 10.9 min and A. calcoaceticus (D = 5.2 min; (v 2.0% chlorhexidine (pH 6.2 – B. stearothermophilus (D = 9.1 min, and at 0.4% for E. cloacae (D = 8.3 min; (vi 1.0% Minncare® (peracetic acid and hydrogen peroxide, pH 2.3 – B. stearothermophilus (D = 9.1 min and E. coli (D = 6.7 min. Conclusions The suspension studies were an indication of the disinfectant efficacy on a surface. The data in this study reflect the formulations used and may vary from product to product. The expected effectiveness from the studied formulations showed that the tested agents can be recommended for surface disinfection as stated in present guidelines and emphasizes the importance and need to develop routine and novel programs to

  4. On the oxidation state of UO 2 nuclear fuel at a burn-up of around 100 MWd/kgHM

    Science.gov (United States)

    Walker, C. T.; Rondinella, V. V.; Papaioannou, D.; Winckel, S. Van; Goll, W.; Manzel, R.

    2005-10-01

    Results for the radial distribution of the oxygen potential and stoichiometry of a PWR fuel with an average pellet burn-up of 102 MWd/kgHM are presented. The local Δ G bar (O2) of the fuel was measured using a miniature solid state galvanic cell, the local O/U ratio was calculated from the lattice parameter measured by micro-X-ray diffraction and the local O/M ratio was derived from the fuel composition determined by ICP-MS. During irradiation the O/U ratio of the fuel decreased from 2.005 to 1.991 ± 0.008. The average fuel O/M ratio was 1.973 compared with the stoichiometric value of 1.949. The amount of free oxygen in the fuel, represented by the difference between these two quantities, increased from the centre to periphery of the pellet. Similarly, the Δ G bar (O2) of the fuel increased from -370 kJ mol-1 at r/r0 = 0.1 to -293 kJ mol-1 at r/r0 = 0.975. Thus, the Δ G bar (O2) of the fuel had not been buffered by the oxidation of fission product Mo. About one-quarter of the free oxygen accumulated during the irradiation had been gettered by the Zircaloy cladding.

  5. I. Determination of chemical reaction rate constants by numerical nonlinear analysis: differential methods

    CERN Document Server

    Jesudason, Christopher G

    2011-01-01

    The primary emphasis of this work on kinetics is to illustrate the a posteriori approach to applications, where focus on data leads to novel outcomes, rather than the a priori tendencies of applied analysis which imposes constructs on the nature of the observable. The secondary intention is the development of appropriate methods consonant with experimental definitions. By focusing on gradients, it is possible to determine both the average and instantaneous rate constants that can monitor changes in the rate constant with concentration changes as suggested by this theory. Here, methods are developed and discussed utilizing nonlinear analysis which does not require exact knowledge of initial concentrations. These methods are compared with those derived from standard methodology. These gradient methods are shown to be consistent with the ones from standard methods and could readily serve as alternatives for studies where there are limits or unknowns in the initial conditions, such as in the burgeoning fields of ...

  6. [Determination of proximal chemical composition of squid (dosidicus gigas) and development of gel products].

    Science.gov (United States)

    Abugoch, L; Guarda, A; Pérez, L M; Paredes, M P

    1999-06-01

    The good nutritional properties of meat from big squid (Dosidicus gigas) living on the Chilean coast, was determined through its proximal composition 70 cal/100 g fresh meat; 82.23 +/- 0.98% moisture; 15.32 +/- 0.93% protein; 1.31 +/- 0.12% ashes; 0.87 +/- 0.18% fat and 0.27% NNE (non-nitrogen extract). The big squid meat was used to develop a gel product which contained NaCl and TPP. It was necessary to use additives for gel preparation, such as carragenin or alginate or egg albumin, due to the lack of gelation properties of squid meat. Formulations containing egg albumin showed the highest gel force measured by penetration as compared to those that contained carragenin or alginate.

  7. Determination of Total Acid in Palygorskite Chemically Modified by N-Butylamine Thermodesorption

    Directory of Open Access Journals (Sweden)

    Ruiz Juan A.C.

    2002-01-01

    Full Text Available The acid properties of palygorskite clay (R1 were studied using n-butylamine as probe molecule. A comparison was made of these properties in palygorskite clay (R1, in an acidified palygorskite (R2 and in acid palygorskite loaded with 2% of lanthanum (R3. The total acid properties were determined by FTIR (Fourier Transform Infrared and TG-DTA (thermogravimetry. The acidity increased as follows: R3>R2>R1. The acid strength sites were classified as physisorbed, weak, medium and strong. The acid treatment did not change the site distribution, apparently only removing channel impurities. The introduction of lanthanum created many more acid sites and increased the specific area. Both weak and strong sites, which increased significantly, were considered new active acid sites produced by the lanthanum.

  8. CHEMICAL DETERMINATION OF HEAVY METALS IN PB AND ZN CONCENTRATES OF TREPÇA (KOSOVO AND CORRELATIONS COEFFI CIENTS STUDY BETWEEN CHEMICAL DATA

    Directory of Open Access Journals (Sweden)

    Fatbardh Gashi

    2017-03-01

    Full Text Available Kosovo ore deposits are located in the Trepça belt which extends for over 80 km. The concentrate produced by the flotation process of the Trepça metallurgical corporation contains a considerable quantity of valuable metals, such as Pb, Zn, Fe and minor accompanying metals such as Cd, Cu, As, Sb, Bi, Ag, Au, etc. The subject of this work was to assess the concentration of major and minor metals in lead and zinc concentrates of Trepça and to study the correlation coefficients between metals. Chemical determination of concentrates was performed by using atomic absorption spectroscopy (AAS. In the content on lead concentrate samples, the following were found: Pb>Fe>Zn> Ag> As>Sb>Cd. In the content of zinc concentrate, the following were found: Zn>Fe>Pb>Ag>As>Cd. The program “Statistica ver. 6.0” has been used for calculations of basic statistical parameters, relationships between data and cluster analysis of R-mode. R-mode cluster analysis on lead concentrate samples showed that Pb has the closest linkages with Fe and they form one branch of the dendogram. On the zinc concentrate samples, Zn has the closest linkages with Fe and they form one branch of the dendogram.

  9. Electro chemical Aptasensor Based on Prussian Blue-Chitosan-Glutaraldehyde for the Sensitive Determination of Tetracycline

    Institute of Scientific and Technical Information of China (English)

    Guanghui Shen; Yemin Guo; Xia Sun∗; Xiangyou Wang

    2014-01-01

    In this paper, a novel and sensitive electrochemical aptasensor for detecting tetracycline (TET) with prussian blue (PB) as the label-free signal was fabricated. A PB-chitosan-glutaraldehyde (PB-CS-GA) system acting as the signal indicator was developed to improve the sensitivity of the electrochemical aptasensor. Firstly, the PB-CS-GA was fixed onto the glass carbon electrode surface. Then, colloidal gold nanoparticles (AuNPs) were droped onto the electrode to immobilize the anti-TET aptamer for preparation of the aptasensor. The stepwise assembly process of the aptasensor was characterized by cyclic voltammetry (C-V) and scanning electron microscope (SEM). The target TET captured onto the electrode induced the current response of the electrode due to the non-conducting biomoleculars. Under the optimum operating conditions, the response of differential pulse voltammetry (DPV) was used for detecting the concentration of TET. The proposed aptasensor showed a high sensitivity and a wide linear range of 10−9 ∼ 10−5 M and 10−5 ∼ 10−2 M with the correlation coefficients of 0.994 and 0.992, respectively. The detection limit was 3.2×10−10 M (RSD 4.12%). Due to its rapidity, sensitivity and low cost, the proposed aptasensor could be used as a pre-scanning method in TET determination for the analysis of livestock products.

  10. Generalized molybdenum oxide surface chemical state XPS determination via informed amorphous sample model

    Energy Technology Data Exchange (ETDEWEB)

    Baltrusaitis, Jonas, E-mail: job314@lehigh.edu [Department of Chemical Engineering, Lehigh University, B336 Iacocca Hall, 111 Research Drive, Bethlehem, PA 18015 (United States); PhotoCatalytic Synthesis group, MESA+ Institute for Nanotechnology, Faculty of Science and Technology, University of Twente, Meander 229, P.O. Box 217, 7500 AE Enschede (Netherlands); Mendoza-Sanchez, Beatriz [CRANN, Chemistry School, Trinity College Dublin, Dublin (Ireland); Fernandez, Vincent [Institut des Matériaux Jean Rouxel, 2 rue de la Houssinière, BP 32229, F-44322 Nantes Cedex 3 (France); Veenstra, Rick [PhotoCatalytic Synthesis group, MESA+ Institute for Nanotechnology, Faculty of Science and Technology, University of Twente, Meander 229, P.O. Box 217, 7500 AE Enschede (Netherlands); Dukstiene, Nijole [Department of Physical and Inorganic Chemistry, Kaunas University of Technology, Radvilenu pl. 19, LT-50254 Kaunas (Lithuania); Roberts, Adam [Kratos Analytical Ltd, Trafford Wharf Road, Wharfside, Manchester, M17 1GP (United Kingdom); Fairley, Neal [Casa Software Ltd, Bay House, 5 Grosvenor Terrace, Teignmouth, Devon TQ14 8NE (United Kingdom)

    2015-01-30

    Highlights: • We analyzed and modeled spectral envelopes of complex molybdenum oxides. • Molybdenum oxide films of varying valence and crystallinity were synthesized. • MoO{sub 3} and MoO{sub 2} line shapes from experimental data were created. • Informed amorphous sample model (IASM) developed. • Amorphous molybdenum oxide XPS envelopes were interpreted. - Abstract: Accurate elemental oxidation state determination for the outer surface of a complex material is of crucial importance in many science and engineering disciplines, including chemistry, fundamental and applied surface science, catalysis, semiconductors and many others. X-ray photoelectron spectroscopy (XPS) is the primary tool used for this purpose. The spectral data obtained, however, is often very complex and can be subject to incorrect interpretation. Unlike traditional XPS spectra fitting procedures using purely synthetic spectral components, here we develop and present an XPS data processing method based on vector analysis that allows creating XPS spectral components by incorporating key information, obtained experimentally. XPS spectral data, obtained from series of molybdenum oxide samples with varying oxidation states and degree of crystallinity, were processed using this method and the corresponding oxidation states present, as well as their relative distribution was elucidated. It was shown that monitoring the evolution of the chemistry and crystal structure of a molybdenum oxide sample due to an invasive X-ray probe could be used to infer solutions to complex spectral envelopes.

  11. Determination of Botanical Origin of Propolis from Monte Region of Argentina by Histological and Chemical Methods.

    Science.gov (United States)

    Salasa, Ana; Mercadoc, María I; Zampini, Iris C; Ponessa, Graciela I; Isla, María I

    2016-05-01

    Propolis production by honey bees is the result of a selective harvest of exudates from plants in the neighborhood of the hive. This product is used in Argentina as a food supplement and alternative medicine. The aim of this study was to determine the botanical origin of propolis from the arid regions of Monte of Argentina using rapid histochemical techniques and by comparison of TLC and HPLC-DAD chromatographic profiles with extract profiles obtained from Zuccagnia punctata, Larrea divaricata and Larrea cuneifolia, plant species that grow in the study area as a natural community named "jarillal". Microscopical analysis revealed the presence of several Z. punctata structures, such as multicellular trichomes, leaflets, stems and young leaves. Remarkable was the richness of the propolis in two bioactive chalcones, also present in Z. punctata resin; these compounds can be regarded as possible markers for propolis identification and justify its use as a dietary supplement, functional food and medicinal product. This study indicates that the source of resin used by honey bees to produce propolis in the Monte region of Argentina is only Z. punctata, a native shrub widespread in this phytogeographical region, while other more abundant species (L. divaricata and L. cuneifolia) in the region were not found, indicating that this propolis could be defined as a mono-resin, type-Zuccagnia.

  12. Generalized molybdenum oxide surface chemical state XPS determination via informed amorphous sample model

    Science.gov (United States)

    Baltrusaitis, Jonas; Mendoza-Sanchez, Beatriz; Fernandez, Vincent; Veenstra, Rick; Dukstiene, Nijole; Roberts, Adam; Fairley, Neal

    2015-01-01

    Accurate elemental oxidation state determination for the outer surface of a complex material is of crucial importance in many science and engineering disciplines, including chemistry, fundamental and applied surface science, catalysis, semiconductors and many others. X-ray photoelectron spectroscopy (XPS) is the primary tool used for this purpose. The spectral data obtained, however, is often very complex and can be subject to incorrect interpretation. Unlike traditional XPS spectra fitting procedures using purely synthetic spectral components, here we develop and present an XPS data processing method based on vector analysis that allows creating XPS spectral components by incorporating key information, obtained experimentally. XPS spectral data, obtained from series of molybdenum oxide samples with varying oxidation states and degree of crystallinity, were processed using this method and the corresponding oxidation states present, as well as their relative distribution was elucidated. It was shown that monitoring the evolution of the chemistry and crystal structure of a molybdenum oxide sample due to an invasive X-ray probe could be used to infer solutions to complex spectral envelopes.

  13. Development of Monteburns: A Code That Links MCNP and ORIGEN2 in an Automated Fashion for Burnup Calculations

    Energy Technology Data Exchange (ETDEWEB)

    Holly R. Trellue

    1998-12-01

    Monteburns is a fully automated tool that links the Monte Carlo transport code MCNP with the radioactive decay and burnup code 0RIGEN2. Monteburns produces many criticality and burnup computational parameters based on material feed/removal specifications, power(s), and time intervals. This code processes input from the user indicating the system geometry, initial material compositions, feed/removal, and other code-specific parameters. Results from MCNP, 0RIGEN2, and other calculations are then output successively as the code runs. The principle function of monteburns is to first transfer one-group cross sections and fluxes from MCNP to 0RIGEN2, and then transfer the resulting material compositions (after irradiation and/or decay) from 0RIGEN2 back to MCNP in a repeated, cyclic fashion. The main requirement of the code is that the user have a working MCNP input file and other input parameters; all interaction with 0RIGEN2 and other calculations are performed by monteburns. This report presents the results obtained from the benchmarking of monteburns to measured and previously obtained data from traditional Light Water Reactor systems. The majority of the differences seen between the two were less than five percent. These were primarily a result of variances in cross sections between MCNP, cross section libraries used by other codes, and observed values. With this understanding, this code can now be used with confidence for burnup calculations in three-dimensional systems. It was designed for use in the Accelerator Transmutation of Waste project at Los Alamos National Laboratory but is also being applied to the analysis of isotopic production/destruction of transuranic actinides in a reactor system. The code has now been shown to sufficiently support these calculations.

  14. Accident source terms for pressurized water reactors with high-burnup cores calculated using MELCOR 1.8.5.

    Energy Technology Data Exchange (ETDEWEB)

    Gauntt, Randall O.; Powers, Dana Auburn; Ashbaugh, Scott G.; Leonard, Mark Thomas; Longmire, Pamela

    2010-04-01

    In this study, risk-significant pressurized-water reactor severe accident sequences are examined using MELCOR 1.8.5 to explore the range of fission product releases to the reactor containment building. Advances in the understanding of fission product release and transport behavior and severe accident progression are used to render best estimate analyses of selected accident sequences. Particular emphasis is placed on estimating the effects of high fuel burnup in contrast with low burnup on fission product releases to the containment. Supporting this emphasis, recent data available on fission product release from high-burnup (HBU) fuel from the French VERCOR project are used in this study. The results of these analyses are treated as samples from a population of accident sequences in order to employ approximate order statistics characterization of the results. These trends and tendencies are then compared to the NUREG-1465 alternative source term prescription used today for regulatory applications. In general, greater differences are observed between the state-of-the-art calculations for either HBU or low-burnup (LBU) fuel and the NUREG-1465 containment release fractions than exist between HBU and LBU release fractions. Current analyses suggest that retention of fission products within the vessel and the reactor coolant system (RCS) are greater than contemplated in the NUREG-1465 prescription, and that, overall, release fractions to the containment are therefore lower across the board in the present analyses than suggested in NUREG-1465. The decreased volatility of Cs2MoO4 compared to CsI or CsOH increases the predicted RCS retention of cesium, and as a result, cesium and iodine do not follow identical behaviors with respect to distribution among vessel, RCS, and containment. With respect to the regulatory alternative source term, greater differences are observed between the NUREG-1465 prescription and both HBU and LBU predictions than exist between HBU and LBU

  15. Study of the triton-burnup process in different JET scenarios using neutron monitor based on CVD diamond

    Science.gov (United States)

    Nemtsev, G.; Amosov, V.; Meshchaninov, S.; Popovichev, S.; Rodionov, R.

    2016-11-01

    We present the results of analysis of triton burn-up process using the data from diamond detector. Neutron monitor based on CVD diamond was installed in JET torus hall close to the plasma center. We measure the part of 14 MeV neutrons in scenarios where plasma current varies in a range of 1-3 MA. In this experiment diamond neutron monitor was also able to detect strong gamma bursts produced by runaway electrons arising during the disruptions. We can conclude that CVD diamond detector will contribute to the study of fast particles confinement and help predict the disruption events in future tokamaks.

  16. Efficient and Accurate Calculation of Burnup Problems with Short-Lived Nuclides by a Krylov Subspace Method with the Newton Divided Difference

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Yoon Hee; Cho, Nam Zin [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

    2010-05-15

    Nowadays lattice physics codes tend to utilize a detailed burnup chain including short-lived nuclides in order to perform more accurate burnup calculations. But, since production codes, for example, ORIGEN2, take account of nuclides which have relatively long half-life, it is inappropriate for such detailed burnup chain calculation. To enhance that drawback, many matrix exponential calculation methods have been developed. Recently, a Krylov subspace method with the PADE approximation was used. In this paper, a Krylov subspace method based on spectral decomposition property of the matrix function theory with the Newton divided difference (NDD) is introduced. It is tested with a sample problem and compared with simple Taylor expansion method

  17. Instant release of fission products in leaching experiments with high burn-up nuclear fuels in the framework of the Euratom project FIRST- Nuclides

    Science.gov (United States)

    Lemmens, K.; González-Robles, E.; Kienzler, B.; Curti, E.; Serrano-Purroy, D.; Sureda, R.; Martínez-Torrents, A.; Roth, O.; Slonszki, E.; Mennecart, T.; Günther-Leopold, I.; Hózer, Z.

    2017-02-01

    The instant release of fission products from high burn-up UO2 fuels and one MOX fuel was investigated by means of leach tests. The samples covered PWR and BWR fuels at average rod burn-up in the range of 45-63 GWd/tHM and included clad fuel segments, fuel segments with opened cladding, fuel fragments and fuel powder. The tests were performed with sodium chloride - bicarbonate solutions under oxidizing conditions and, for one test, in reducing Ar/H2 atmosphere. The iodine and cesium release could be partially explained by the differences in sample preparation, leading to different sizes and properties of the exposed surface areas. Iodine and cesium releases tend to correlate with FGR and linear power rating, but the scatter of the data is significant. Although the gap between the fuel and the cladding was closed in some high burn-up samples, fissures still provide possible preferential transport pathways.

  18. Application of Nation/Cobalt Hexacyanoferrate Chemically Modified Electrodes for the Determination of Electroinactive Cations by Ion Chromatography

    Institute of Scientific and Technical Information of China (English)

    XU,Ji-Ming(徐继明); XIAN,Yue-Zhong(鲜跃仲); SHI,Guo-Yue(施国跃); LI,Jin-Hua(李金花); JIN Li-Tong(金利通)

    2002-01-01

    An amperometric detector based on the chemical modification of Nafion and cobalt(H) hexacyanoferrate(Ⅱ, Ⅲ) thin film (Nafion/Co-CN-Fe) onto a glassy carbon (GC) electrode was firslly developed for the determination of electroinactive cations (Li+, Na+, K+, Rb+, Cs+ and NH4+) in single column ion chromatography. A set of well-defined peaks of electroinactive cation was obtained. The relative standard deviations (RSDs)of - peak height (nA) for these cations were all below 3.8%. The cations were detected conveniently in the linear concentration range of 6.0× 10-6-5.0 × 10-3 mol/L and their correlation coefficients were all above 0.99. Tne detection limiits of the cations were 9.2 × 10- 6 mol/L for Li + , 3.4 ×10-6 mol/L for Na+ , 6.3 × 10-7 mol/L for K+ , 7.8 × 10-7 mol/L for Rb+ , 6.2 × 10-7 mol/L for Cs+ and 6.2 × 10-6 mol/L for NH4+ , at a signal-noise ratio of 3. The method was quick, sensitive, simple and was successfully applied to the analysis of rainwater samples. The electrode was stable for a 2 week period of operation with no evidence of chemical or mechanical deterioration.

  19. Transition state trajectory stability determines barrier crossing rates in chemical reactions induced by time-dependent oscillating fields

    CERN Document Server

    Craven, Galen T; Hernandez, Rigoberto

    2015-01-01

    When a chemical reaction is driven by an external field, the transition state that the system must pass through as it changes from reactant to product -for example, an energy barrier- becomes time-dependent. We show that for periodic forcing the rate of barrier crossing can be determined through stability analysis of the non-autonomous transition state. Specifically, strong agreement is observed between the difference in the Floquet exponents describing stability of the transition state trajectory, which defines a recrossing-free dividing surface [G. T. Craven, T. Bartsch, and R. Hernandez, Phys. Rev. E 89, 040801(R) (2014)], and the rates calculated by simulation of ensembles of trajectories. This result opens the possibility to extract rates directly from the intrinsic stability of the transition state, even when it is time-dependent, without requiring a numerically-expensive simulation of the long-time dynamics of a large ensemble of trajectories.

  20. Coupled determination of gravimetric and elastic effects on two resonant chemical sensors: love wave and microcantilever platforms.

    Science.gov (United States)

    Fadel, Ludivine; Zimmermann, Céline; Dufour, Isabelle; Déjous, Corinne; Rebière, Dominique; Pistré, Jacques

    2005-02-01

    The objective of this paper is to couple theoretical and experimental results from microcantilevers and Love-wave acoustic devices in order to identify and separate mass loading effects from elastic effects. This is important in the perspective of sensing applications. For that, a thin-film polymer is deposited on both resonant platforms. It is demonstrated that microcantilevers are essentially mass sensitive. They allow one to determine the polymer layer thickness, which is validated by optical profilometry measurements. Then, taking into account this thickness, theoretical modeling and experimental measurements with Love-wave devices permit one to estimate an equivalent elastic shear modulus of the thin-film polymer at high frequency. Results are interesting if one is to fully understand and optimize (bio)chemical sensor responses.

  1. Study on core radius minimization for long life Pb-Bi cooled CANDLE burnup scheme based fast reactor

    Science.gov (United States)

    Afifah, Maryam; Miura, Ryosuke; Su'ud, Zaki; Takaki, Naoyuki; Sekimoto, H.

    2015-09-01

    Fast Breeder Reactor had been interested to be developed over the world because it inexhaustible source energy, one of those is CANDLE reactor which is have strategy in burn-up scheme, need not control roads for control burn-up, have a constant core characteristics during energy production and don't need fuel shuffling. The calculation was made by basic reactor analysis which use Sodium coolant geometry core parameter as a reference core to study on minimum core reactor radius of CANDLE for long life Pb-Bi cooled, also want to perform pure coolant effect comparison between LBE and sodium in a same geometry design. The result show that the minimum core radius of Lead Bismuth cooled CANDLE is 100 cm and 500 MWth thermal output. Lead-Bismuth coolant for CANDLE reactor enable to reduce much reactor size and have a better void coefficient than Sodium cooled as the most coolant for FBR, then we will have a good point in safety analysis.

  2. A simple method for determining the lattice parameter and chemical composition in ternary bcc-Fe rich nanocrystals

    Energy Technology Data Exchange (ETDEWEB)

    Moya, Javier A., E-mail: jmoya.fi.uba@gmail.com [Grupo Interdisciplinario en Materiales-IESIING, Universidad Católica de Salta, INTECIN UBA-CONICET, Salta (Argentina); Gamarra Caramella, Soledad; Marta, Leonardo J. [Grupo Interdisciplinario en Materiales-IESIING, Universidad Católica de Salta, INTECIN UBA-CONICET, Salta (Argentina); Berejnoi, Carlos [Universidad Nacional de Salta, Facultad de Ingeniería, Salta (Argentina)

    2015-05-15

    Highlights: • A method for determining composition in ternary nanocrystals is presented. • X-ray diffraction and Mössbauer spectroscopy data were employed. • We perform theoretical charts for lattice parameter of Fe-rich ternary alloys. • A linear relationship in lattice parameter for binary alloys is evaluated. • A parabolic relationship is proposed for the Fe–Co–Si alloy. - Abstract: Charts containing lattice parameters of Fe{sub 1−x}(M,N){sub x} ternary systems with M and N = Si, Al, Ge or Co, and 0 ⩽ x ⩽ ∼0.3, were developed by implementing a linear relationship between the respective binary alloys with the same solute content of the ternary one. Charts were validated with experimental data obtained from literature. For the Fe–Co–Si system, the linear relationship does not fit the experimental data. For the other systems (except the Fe–Co–Ge one where no experimental data was found), the lineal relationship constitute a very good approximation. Using these charts and the lattice parameter data obtained from X-ray diffraction technique combining with the solute content data obtained from Mössbauer spectroscopy technique it is possible to determine the chemical composition of nanograins in soft magnetic nanocomposite materials and some examples are provided.

  3. Development of an analytical method to determine phenolic endocrine disrupting chemicals in sewage and sludge by GC/MS

    Institute of Scientific and Technical Information of China (English)

    SHEN Gang; YU Gang; CAI Zhenxiao; ZHANG Zulin

    2005-01-01

    An analytical method has been developed to determine bisphenol A and five degradation products of alkylphenol ethoxylates in sewage and sludge. The parameters of accelerated solvent extraction (ASE) were optimized. C18 cartridge was used to clean up the sewage and the extract of sludge. The sensitivity of the mass detector was improved by adjusting the voltage of the lens manually. The instrumental detection limit was 3.2―17.8 pg. The method detection limits were 2.5―11.4 ng/L and 0.3―2.1 ng/g for sewage and sludge analysis respectively. The recovery and relative standard deviation for sewage analysis were 79.2%―111.4% and 6.9%―12.6%; for sludge analysis were 68.5%―114.0% and 8.9%―16.0%. Finally this method was applied to determining the phenolic endocrine disrupting chemicals in sewage and sludge from a sewage treatment plant in Beijing.

  4. Determination of carbon number distributions of complex phthalates by gas chromatography-mass spectrometry with ammonia chemical ionization.

    Science.gov (United States)

    Di Sanzo, Frank P; Lim, Peniel J; Han, Wenning W

    2015-01-01

    An assay method for phthalate esters with a complex mixture of isomer of varying carbon numbers, such as di-isononyl phthalate (DINP) and di-isodecyl phthalate (DIDP), using gas chromatography-mass spectrometry (GC-MS) positive chemical ionization (PCI) with 5% ammonia in methane is described. GC-MS-PCI-NH3, unlike GC-MS electron ionization (EI) (GC-MS-EI) that produces generally m/z 149 ion as the main base peak and low intensity M(+) peaks, produces higher intensity (M + 1) ions that allow the determination of total (R + R') carbon number distributions based on the various R and R' alkyl groups of the di-esters moiety. The technique allows distinguishing among the various commercial DINP and DIDP plasticizers. The carbon number distributions are determined in the acceptable range of 85 mole percent (m/m). Several examples of analysis made on commercial DINP and DIDP are presented. The use of only 5% instead of 100% ammonia simplifies use of GC-MS-PCI-NH3 but still produces sufficient M + 1 ion intensities that are appropriate for the assay. In addition, use of low concentrations of ammonia mitigates potential safety aspects related to use of ammonia and provides less corrosion for the instrument hardware.

  5. Development of a biosensor based on gilo peroxidase immobilized on chitosan chemically crosslinked with epichlorohydrin for determination of rutin.

    Science.gov (United States)

    Zwirtes de Oliveira, Inês Rosane W; Fernandes, Suellen Cadorin; Vieira, Iolanda Cruz

    2006-05-01

    A new reagentless biosensor for the square-wave voltammetric determination of rutin in pharmaceutical formulations was developed by immobilization of gilo (Solanum gilo) crude extract in chitosan matrix. The gilo tissue acts as a source of peroxidase. The highest biosensor performance was obtained after immobilization of the peroxidase in chemically crosslinked chitosan with epichlorohydrin and glutaraldehyde that was incorporated in a carbon paste electrode. In the presence of hydrogen peroxide this enzyme catalyses the oxidation of rutin to quinone and the electrochemical reduction of the product was obtained at a fixed potential of +124 mV versus Ag/AgCl (3.0 M KCl). The performance and factors influencing the resulting biosensor were studied in detail. The bioelectrode exhibited a linear response for rutin concentrations from 3.4x10(-7) to 7.2x10(-6) M (r=0.9998) and the recovery of rutin from the samples ranged from 96.2 to 102.4%. The detection and quantification limits were 2.0x10(-8) and 6.3x10(-8) M, respectively. The relative standard deviation was less than 1.0% for solutions containing 3.4x10(-7) to 7.2x10(-6) M rutin in 0.1 M phosphate buffer solution at pH 7.0 (n=10). The lifetime of this biosensor was 8 months (at least 500 determinations).

  6. Spectrofluorometric determination and chemical speciation of trace concentrations of tungsten species in water using the ion pairing reagent procaine hydrochloride.

    Science.gov (United States)

    El-Shahawi, M S; Al Khateeb, L A

    2012-01-15

    A highly selective and low cost extractive spectrofluorimetric method was developed for determination of trace concentrations of tungsten (VI) in water. The method was based upon solvent extraction of the developed ion associate [(PQH(+))(2)·WO(4)(2-)] of the fluorescent ion-pairing reagent [2-(diethylamino)ethyl 4 aminobenzoate] hydrochloride namely procaine hydrochloride, PQH(+)·Cl(-) and tungstate (WO(4)(2-)) in aqueous solution of pH 6-7 followed by measuring the resulting fluorescence enhancement in n-hexane at λ(ex/em)=270/320nm. The fluorescence intensity of PQH(+)·Cl(-) increased linearly on increasing tungstate concentration in the range 25-250μgL(-1). The limits of detection (LOD) and quantification (LOQ) of tungsten (VI) were found 7.51 and 24.75μgL(-1), respectively. Chemical composition of the developed ion associate and the molar absorptivity at 270nm were found to be [(PQH(+))(2)·WO(4)(2-)] and 2.7×10(4)Lmol(-1)cm(-1), respectively. Other oxidation states (III, IV, V) of tungsten species could also be determined after oxidation with H(2)O(2) in aqueous solution to tungsten (VI). The method was applied for analysis of tungsten in certified reference material (IAEA Soil-7) and wastewater samples. The results were compared successfully (>95%) with the data of inductively coupled plasma-mass spectrometry (ICP-MS).

  7. Burn-up calculation of different thorium-based fuel matrixes in a thermal research reactor using MCNPX 2.6 code

    Directory of Open Access Journals (Sweden)

    Gholamzadeh Zohreh

    2014-12-01

    Full Text Available Decrease of the economically accessible uranium resources and the inherent proliferation resistance of thorium fuel motivate its application in nuclear power systems. Estimation of the nuclear reactor’s neutronic parameters during different operational situations is of key importance for the safe operation of nuclear reactors. In the present research, thorium oxide fuel burn-up calculations for a demonstrative model of a heavy water- -cooled reactor have been performed using MCNPX 2.6 code. Neutronic parameters for three different thorium fuel matrices loaded separately in the modelled thermal core have been investigated. 233U, 235U and 239Pu isotopes have been used as fissile element in the thorium oxide fuel, separately. Burn-up of three different fuels has been calculated at 1 MW constant power. 135X and 149Sm concentration variations have been studied in the modelled core during 165 days burn-up. Burn-up of thorium oxide enriched with 233U resulted in the least 149Sm and 135Xe productions and net fissile production of 233U after 165 days. The negative fuel, coolant and void reactivity of the used fuel assures safe operation of the modelled thermal core containing (233U-Th O2 matrix. Furthermore, utilisation of thorium breeder fuel demonstrates several advantages, such as good neutronic economy, 233U production and less production of long-lived α emitter high radiotoxic wastes in biological internal exposure point of view

  8. Impacts of burnup-dependent swelling of metallic fuel on the performance of a compact breed-and-burn fast reactor

    Energy Technology Data Exchange (ETDEWEB)

    Hartanto, Donny; Heo, Woong; Kim, Chi Hyung; Kim, Yong Hee [Dept. of Nuclear and Quantum Engineering, Korea Advanced Institute of Science and Technology (KAIST), Daejeon (Korea, Republic of)

    2016-04-15

    The U-Zr or U-TRU-Zr cylindrical metallic fuel slug used in fast reactors is known to swell significantly and to grow during irradiation. In neutronics simulations of metallic-fueled fast reactors, it is assumed that the slug has swollen and contacted cladding, and the bonding sodium has been removed from the fuel region. In this research, a realistic burnup-dependent fuel-swelling simulation was performed using Monte Carlo code McCARD for a single-batch compact sodium-cooled breed-and-burn reactor by considering the fuel-swelling behavior reported from the irradiation test results in EBR-II. The impacts of the realistic burnup-dependent fuel swelling are identified in terms of the reactor neutronics performance, such as core lifetime, conversion ratio, axial power distribution, and local burnup distributions. It was found that axial fuel growth significantly deteriorated the neutron economy of a breed-and-burn reactor and consequently impaired its neutronics performance. The bonding sodium also impaired neutron economy, because it stayed longer in the blanket region until the fuel slug reached 2% burnup.

  9. Estimate of fuel burnup spatial a multipurpose reactor in computer simulation; Estimativa da queima espacial do combustivel de um reator multiproposito por simulacao computacional

    Energy Technology Data Exchange (ETDEWEB)

    Santos, Nadia Rodrigues dos, E-mail: nadia.santos@ifrj.edu.br [Instituto Federal de Educacao, Ciencia e Tecnologia do Rio de Janeiro (IFRJ), Paracambi, RJ (Brazil); Lima, Zelmo Rodrigues de; Moreira, Maria de Lourdes, E-mail: malu@ien.gov.br, E-mail: zrlima@ien.gov.br [Instituto de Engenharia Nuclear (IEN/CNEN-RJ), Rio de Janeiro, RJ (Brazil)

    2015-07-01

    In previous research, which aimed, through computer simulation, estimate the spatial fuel burnup for the research reactor benchmark, material test research - International Atomic Energy Agency (MTR/IAEA), it was found that the use of the code in FORTRAN language, based on the diffusion theory of neutrons and WIMSD-5B, which makes cell calculation, bespoke be valid to estimate the spatial burnup other nuclear research reactors. That said, this paper aims to present the results of computer simulation to estimate the space fuel burnup of a typical multipurpose reactor, plate type and dispersion. the results were considered satisfactory, being in line with those presented in the literature. for future work is suggested simulations with other core configurations. are also suggested comparisons of WIMSD-5B results with programs often employed in burnup calculations and also test different methods of interpolation values obtained by FORTRAN. Another proposal is to estimate the burning fuel, taking into account the thermohydraulics parameters and the appearance of xenon. (author)

  10. A study of fuel failure behavior in high burnup HTGR fuel. Analysis by STRESS3 and STAPLE codes

    Energy Technology Data Exchange (ETDEWEB)

    Martin, David G.; Sawa, Kazuhiro; Ueta, Shouhei; Sumita, Junya [Japan Atomic Energy Research Inst., Oarai, Ibaraki (Japan). Oarai Research Establishment

    2001-05-01

    In current high temperature gas-cooled reactors (HTGRs), Tri-isotropic coated fuel particles are employed as fuel. In safety design of the HTGR fuels, it is important to retain fission products within particles so that their release to primary coolant does not exceed an acceptable level. From this point of view, the basic design criteria for the fuel are to minimize the failure fraction of as-fabricated fuel coating layers and to prevent significant additional fuel failures during operation. This report attempts to model fuel behavior in irradiation tests using the U.K. codes STRESS3 and STAPLE. Test results in 91F-1A and HRB-22 capsules irradiation tests, which were carried out at the Japan Materials Testing Reactor of JAERI and at the High Flux Isotope Reactor of Oak Ridge National Laboratory, respectively, were employed in the calculation. The maximum burnup and fast neutron fluence were about 10%FIMA and 3 x 10{sup 25} m{sup -2}, respectively. The fuel for the irradiation tests was called high burnup fuel, whose target burnup and fast neutron fluence were higher than those of the first-loading fuel of the High Temperature Engineering Test Reactor. The calculation results demonstrated that if only mean fracture stress values of PyC and SiC are used in the calculation it is not possible to predict any particle failures, by which is meant when all three load bearing layers have failed. By contrast, when statistical variations in the fracture stresses and particle specifications are taken into account, as is done in the STAPLE code, failures can be predicted. In the HRB-22 irradiation test, it was concluded that the first two particles which had failed were defective in some way, but that the third and fourth failures can be accounted for by the pressure vessel model. In the 91F-1A irradiation test, the result showed that 1 or 2 particles had failed towards the end of irradiation in the upper capsule and no particles failed in the lower capsule. (author)

  11. An improved reagent for determination of aliphatic amines with fluorescence and online atmospheric chemical ionization-mass spectrometry identification

    Energy Technology Data Exchange (ETDEWEB)

    You Jinmao, E-mail: Jmyou6304@163.com [Northwest Plateau Institute of Biology, Chinese Academy of Sciences, Xining, 810001 (China) and Key Laboratory of Life-Organic Analysis, College of Chemistry Science, Qufu Normal University, Qufu Shandong, 273165 (China); Song Cuihua; Yan Tao [Key Laboratory of Life-Organic Analysis, College of Chemistry Science, Qufu Normal University, Qufu Shandong, 273165 (China); Sun Zhiwei [Northwest Plateau Institute of Biology, Chinese Academy of Sciences, Xining, 810001 (China); Graduate University of Chinese Academy of Sciences, Beijing, 100049 (China); Li Yulin; Suo Yourui [Northwest Plateau Institute of Biology, Chinese Academy of Sciences, Xining, 810001 (China)

    2010-01-18

    An improved reagent named 2-[2-(dibenzocarbazole)-ethoxy] ethyl chloroformate (DBCEC-Cl) for the determination of aliphatic amines by high-performance liquid chromatography (HPLC) with fluorescence detection and post-column online atmospheric chemical ionization-mass spectrometry (APCI-MS) identification has been developed. DBCEC-Cl could easily and quickly label aliphatic amines. Derivatives were stable enough to be efficiently analyzed by HPLC and showed an intense protonated molecular ion corresponding m/z [M+H]{sup +} under APCI-MS in positive-ion mode. The ratios for fluorescence responses were I{sub DBCEC-amine}/I{sub BCEC-amine} = 1.02-1.60; I{sub DBCEC-amine}/I{sub BCEOC-amine} = 1.30-2.57; and I{sub DBCEC-amine}/I{sub FMOC-amine} = 2.20-4.12 (here, I was relative fluorescence intensity). The ratios for MS responses were IC{sub DBCEC-amine}/IC{sub BCEC-amine} = 4.16-29.31 and IC{sub DBCEC-amine}/IC{sub BCEOC-amine} = 1.23-2.47 (Here, IC: APCI-MS ion current intensity). Detection limits calculated from 0.0244 pmol injection, at a signal-to-noise ratio of 3, were 0.3-3.0 fmol. The relative standard deviations for within-day determination (n = 6) were 0.045-0.081% for retention time and 0.86-1.03% for peak area for the tested aliphatic amines. The mean intra- and inter-assay precision for all amine levels were <3.64% and 4.67%, respectively. The mean recoveries ranged from 96.9% to 104.7% with their standard deviations in the range of 1.80-2.70 (RSDs%). Excellent linear responses were observed with coefficients of >0.9991.

  12. Chemically prepared silver electrode for determination of N-acetyl-L-cysteine by flow-injection potentiometry.

    Science.gov (United States)

    Kolar, M; Dobcnik, D

    2003-01-01

    This paper describes the use of the silver electrode by means of chemical pretreatment of the electrode surface with mercuric(II) chloride solution and potassium iodide solution in flow injection analysis (FIA). The electrode is used as a potentiometric sensor for the indirect determination of NAC in a carrier stream containing iodine. A one-channel flow system that consists of a peristaltic pump, injection valve, a silver wire electrode and a saturated calomel reference electrode (SCE) was used. Some typical FIA parameters such as flow rate, tube length and composition of the carrier stream were varied. The electrode is further characterised by a constant linear response within the concentration range for NAC between 4.0 x 10(-6) and 1.0 x 10(-3) M at the slope of 60.6 +/- 1.0 mV/p(NAC). Some pharmaceutical products containing NAC were also tested. These results can be compared to the results obtained by the direct potentiometric titrations with silver nitrate and are also in good agreement with values declared by pharmaceutical manufacturers.

  13. Determination of chemical composition of gall bladder stones:Basis for treatment strategies in patients from Yaounde, Cameroon

    Institute of Scientific and Technical Information of China (English)

    Fru F. Angwafo Ⅲ; Samuel Takongmo; Donald Griffith

    2004-01-01

    AIM: Gallstone disease is increasing in sub-saharan Africa (SSA).In the west, the majority of stones can be dissolved with bile salts, since the major component is cholesterol. This medical therapy is expensive and not readily accessible to poor populations of SSA. It was therefore necessary to analyze the chemical composition of biliary stones in a group of patients,so as to make the case for introducing bile salt therapy in SSA.METHODS: All patients with symptomatic gallstones were recruited in the study. All stones removed during cholecystectomy were sent to Houston for x-ray diffraction analysis. Data on age, sex, serum cholesterol, and the percentage by weight of cholesterol, calcium carbonate, and amorphous material in each stone was entered into a pre-established proforma. Frequencies of the major components of the stones were determined.RESULTS: Sixteen women and ten men aged between 27 and 73 (mean 44.9) years provided stones for the study.The majority of patients (65.38%) had stones with less than 25% of cholesterol. Amorphous material made up more than 50% and 100% of stones from 16 (61.53%) and 9 (34.61%)patients respectively.CONCLUSION: Cholesterol is present in small amounts in a minority of gallstones in Yaounde. Dissolution of gallstones with bile salts is unlikely to be successful.

  14. Portable digital lock-in instrument to determine chemical constituents with single-color absorption measurements for Global Health Initiatives

    Energy Technology Data Exchange (ETDEWEB)

    Vacas-Jacques, Paulino [Little Devices Group, SUTD-MIT International Design Center, Cambridge, Massachusetts 02139 (United States); Wellman Center for Photomedicine and Harvard Medical School, Massachusetts General Hospital, Boston, Massachusetts 02114 (United States); Linnes, Jacqueline [Little Devices Group, SUTD-MIT International Design Center, Cambridge, Massachusetts 02139 (United States); Biomedical Engineering Department, Boston University, Boston, Massachusetts 02215 (United States); Young, Anna; Gomez-Marquez, Jose [Little Devices Group, SUTD-MIT International Design Center, Cambridge, Massachusetts 02139 (United States); Gerrard, Victoria [Little Devices Group, SUTD-MIT International Design Center, Cambridge, Massachusetts 02139 (United States); Opportunity Lab, Singapore University for Technology and Design, Singapore 138682 (Singapore)

    2014-03-15

    Innovations in international health require the use of state-of-the-art technology to enable clinical chemistry for diagnostics of bodily fluids. We propose the implementation of a portable and affordable lock-in amplifier-based instrument that employs digital technology to perform biochemical diagnostics on blood, urine, and other fluids. The digital instrument is composed of light source and optoelectronic sensor, lock-in detection electronics, microcontroller unit, and user interface components working with either power supply or batteries. The instrument performs lock-in detection provided that three conditions are met. First, the optoelectronic signal of interest needs be encoded in the envelope of an amplitude-modulated waveform. Second, the reference signal required in the demodulation channel has to be frequency and phase locked with respect to the optoelectronic carrier signal. Third, the reference signal should be conditioned appropriately. We present three approaches to condition the signal appropriately: high-pass filtering the reference signal, precise offset tuning the reference level by low-pass filtering, and by using a voltage divider network. We assess the performance of the lock-in instrument by comparing it to a benchmark device and by determining protein concentration with single-color absorption measurements. We validate the concentration values obtained with the proposed instrument using chemical concentration measurements. Finally, we demonstrate that accurate retrieval of phase information can be achieved by using the same instrument.

  15. A miniature photoelectrochemical sensor based on organic electrochemical transistor for sensitive determination of chemical oxygen demand in wastewaters.

    Science.gov (United States)

    Liao, Jianjun; Lin, Shiwei; Zeng, Min; Yang, Yue

    2016-05-01

    A three-electrode configuration is often required in the conventional photoelectrochemical measurements. Nevertheless, one common drawback is the reference electrode and the counter electrode used in the measurements, which has been proved to be an impediment for the miniaturization. In this study, a simple, cost-effective and miniature photoelectrochemical sensor based on high sensitive organic electrochemical transistor (OECT) is developed and used for the determination of chemical oxygen demand (COD) in wastewaters. The devices show detection limit down to 0.01 mg/L COD, which is two orders of magnitude better than that of the conventional photoelectrochemical method. The excellent sensing performance can be contributed to the novel sensing mechanism of OECT devices. That is, the devices are sensitive to the potential changes induced by the photoelectrochemical reaction on TiO2 nanotube arrays gate electrodes. Real sample analyses are also carried out. The results demonstrate that the measured COD values using the OECT devices and the standard dichromate methods are in a good agreement. Since the proposed sensor is constructed on a miniature transistor, it is expected that the device shows a promising application on the integrated COD monitoring platform.

  16. Determining copper and lead binding in Larrea tridentata through chemical modification and X-ray absorption spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Polette, L.; Gardea-Torresdey, J.L.; Chianelli, R. [Univ. of Texas, El Paso, TX (United States). Dept. of Chemistry; Pickering, I.J.; George, G.N. [Stanford Synchrotron Radiation Lab., Menlo Park, CA (United States)

    1997-12-31

    Metal contamination in soils has become a widespread problem. Emerging technologies, such as phytoremediation, may offer low cost cleanup methods. The authors have identified a desert plant, Larrea tridentata (creosote bush), which naturally grows and uptakes copper and lead from a contaminated area near a smelting operation. They determined, through chemical modification of carboxyl groups with methanol, that these functional groups may be responsible for a portion of copper(II) binding. In contrast, lead binding was minimally affected by modification of carboxyl groups. X-ray absorption spectroscopy studies conducted at Stanford Synchrotron Radiation Laboratory (SSRL) further support copper binding to oxygen-coordinated ligands and also imply that the binding is not solely due to phytochelatins. The EXAFS data indicate the presence of both Cu-O and Cu-S back scatters, no short Cu-Cu interactions, but with significant Cu-Cu back scattering at 3.7 {angstrom} (unlike phytochelatins with predominantly Cu-S coordination and short Cu-Cu interactions at 2.7 {angstrom}). Cu EXAFS of roots and leaves also vary depending on the level of heavy metal contamination in the environment from which the various creosote samples were obtained. In contrast, Pb XANES data of roots and leaves of creosote collected from different contaminated sites indicate no difference in valence states or ligand coordination.

  17. Residue determination of captan and folpet in vegetable samples by gas chromatography/negative chemical ionization-mass spectrometry.

    Science.gov (United States)

    Barreda, Mercedes; López, Francisco J; Villarroya, Mercedes; Beltran, Joaquim; García-Baudín, Jose María; Hernández, Felix

    2006-01-01

    A gas chromatography/negative chemical ionization-mass spectrometry (GC/NCI-MS) method has been developed for the simultaneous determination of the fungicides captan and folpet in khaki (persimmon; flesh and peel) and cauliflower. Samples were extracted with acetone in the presence of 0.1 M zinc acetate solution in order to avoid degradation of fungicides and were purified using solid-phase extraction with divinylbenzene polymeric cartridges. Purified extracts were evaporated and dissolved in hexane prior to injection into the GC/NCI-MS system. Isotope-labeled captan and folpet were used as surrogate/internal standards, and quantification was performed using matrix-matched calibration. The method showed linear response in the concentration range tested (50-2500 ng/mL). The method was fully validated with untreated blank samples of khaki (flesh and peel) and cauliflower spiked at 0.05 and 0.5 mg/kg. Satisfactory recoveries between 82 and 106% and relative standard deviations lower than 11% in all cases (n = 5) were obtained. The limit of detection for both compounds were estimated to be 0.01 mg/kg. The developed method has been applied to treated and untreated samples collected from residue trials.

  18. Trace determination of 13 haloacetamides in drinking water using liquid chromatography triple quadrupole mass spectrometry with atmospheric pressure chemical ionization.

    Science.gov (United States)

    Chu, Wenhai; Gao, Naiyun; Yin, Daqiang; Krasner, Stuart W; Templeton, Michael R

    2012-04-27

    The haloacetamides (HAcAms) are disinfection by-products (DBPs) in drinking water which are currently receiving increased scientific attention due to their elevated toxicity relative to regulated disinfection by-products. A simultaneous determination method of 13 HAcAms, combining solid-phase extraction (SPE) enrichment, liquid chromatographic (LC) separation, and triple quadrupole mass spectrometry (tqMS) detection with atmospheric pressure chemical ionization (APCI) using selective reaction monitoring in positive mode, was developed to measure HAcAms, including chlorinated, brominated, and iodinated analogs. Ammonium chloride and Oasis HLB were selected as the dechlorinating reagent and polymeric SPE sorbent of HAcAm samples. The used tqMS apparatus showed higher sensitivity for the studied HAcAms in the APCI mode than electrospray ionization. 13 HAcAms were separated by LC in 9.0 min, and the detection limits ranged from 7.6 to 19.7 ng/L. The SPE-LC/tqMS method was successfully applied to quantify 13 HAcAms in drinking water samples for the first time, and first indentified tribromoacetamide and chloroiodoacetamide as DBPs in drinking water.

  19. High-Pressure Liquid Chromatography of Irradiated Nuclear Fue - Separation of Neodymium for Burn-up Determination

    DEFF Research Database (Denmark)

    Larsen, N. R.

    1979-01-01

    Neodymium is separated from solutions of spent nuclear fuel by high-pressure liquid chromatography in methanol-nitric acid-water media using an anion-exchange column. Chromatograms obtained by monitoring at 280 nm, illustrate the difficulties especially with the fission product ruthenium in nuclear...... chemistry. Preseparation of the rare earths and trivalent actinides using a di(2-ethylhexyl)phosphoric acid/kieselguhr column is described....

  20. Fully Coupled Modeling of Burnup-Dependent (U1- y , Pu y )O2- x Mixed Oxide Fast Reactor Fuel Performance

    Science.gov (United States)

    Liu, Rong; Zhou, Wenzhong; Zhou, Wei

    2016-03-01

    During the fast reactor nuclear fuel fission reaction, fission gases accumulate and form pores with the increase of fuel burnup, which decreases the fuel thermal conductivity, leading to overheating of the fuel element. The diffusion of plutonium and oxygen with high temperature gradient is also one of the important fuel performance concerns as it will affect the fuel material properties, power distribution, and overall performance of the fuel pin. In order to investigate these important issues, the (U1- y Pu y )O2- x fuel pellet is studied by fully coupling thermal transport, deformation, oxygen diffusion, fission gas release and swelling, and plutonium redistribution to evaluate the effects on each other with burnup-dependent models, accounting for the evolution of fuel porosity. The approach was developed using self-defined multiphysics models based on the framework of COMSOL Multiphysics to manage the nonlinearities associated with fast reactor mixed oxide fuel performance analysis. The modeling results showed a consistent fuel performance comparable with the previous results. Burnup degrades the fuel thermal conductivity, resulting in a significant fuel temperature increase. The fission gas release increased rapidly first and then steadily with the burnup increase. The fuel porosity increased dramatically at the beginning of the burnup and then kept constant as the fission gas released to the fuel free volume, causing the fuel temperature to increase. Another important finding is that the deviation from stoichiometry of oxygen affects greatly not only the fuel properties, for example, thermal conductivity, but also the fuel performance, for example, temperature distribution, porosity evolution, grain size growth, fission gas release, deformation, and plutonium redistribution. Special attention needs to be paid to the deviation from stoichiometry of oxygen in fuel fabrication. Plutonium content will also affect the fuel material properties and performance

  1. French investigations of high burnup effect on LOCA thermomechanical behavior: Part 1. Experimental programmes in support of LOCA design methodologies

    Energy Technology Data Exchange (ETDEWEB)

    Waeckel, N. [EDF/SEPTEN Villeurbanne (France); GrandJean, C. [IPSN, Cadarache (France); Cauvin, R.; Lebuffe, C. [EDF/SCMI, Chinon (France)

    1997-01-01

    Within the framework of Burn-Up extension request, EDF, FRAMATOME, CEA and IPSN have carried out experimental programmes in order to provide the design of fuel rods under LOCA conditions with relevant data. The design methods used in France for LOCA are based on standard Appendix K methodology updated to take into account some penalties related to the actual conditions of the Nuclear Power Plant. Best-Estimate assessments are used as well. Experimental programmes concern plastic deformation and burst behavior of advanced claddings (EDGAR) and thermal shock quenching behavior of highly irradiated claddings (TAGCIR). The former reveals the important role played by the {alpha}/{beta} transformation kinetics related to advanced alloys (Niobium alloys) and the latter the significative impact of hydrogen charged during in-reactor corrosion on oxidation kinetics and failure behavior in terms of cooling rates.

  2. Verification of spectral burn-up codes on 2D fuel assemblies of the GFR demonstrator ALLEGRO reactor

    Energy Technology Data Exchange (ETDEWEB)

    Čerba, Štefan, E-mail: stefan.cerba@stuba.sk [Slovak University of Technology in Bratislava, Faculty of Electrical Engineering and Information Technology, Institute of Nuclear and Physical Engineering, Ilkovičova 3, 812 19 Bratislava (Slovakia); Vrban, Branislav; Lüley, Jakub [Slovak University of Technology in Bratislava, Faculty of Electrical Engineering and Information Technology, Institute of Nuclear and Physical Engineering, Ilkovičova 3, 812 19 Bratislava (Slovakia); Dařílek, Petr [VUJE a.s., Okružná 5, 918 64 Trnava (Slovakia); Zajac, Radoslav, E-mail: radoslav.zajac@vuje.sk [VUJE a.s., Okružná 5, 918 64 Trnava (Slovakia); Nečas, Vladimír; Haščik, Ján [Slovak University of Technology in Bratislava, Faculty of Electrical Engineering and Information Technology, Institute of Nuclear and Physical Engineering, Ilkovičova 3, 812 19 Bratislava (Slovakia)

    2014-02-15

    Highlights: • Verification of the MCNPX, HELIOS and SCALE codes. • MOX and ceramic fuel assembly. • Gas-cooled fast reactor. • Burnup calculation. - Abstract: The gas-cooled fast reactor, which is one of the six GEN IV reactor concepts, is characterized by high operational temperatures and a hard neutron spectrum. The utilization of commonly used spectral codes, developed mainly for LWR reactors operated in the thermal/epithermal neutron spectrum, may be connected with systematic deviations since the main development effort of these codes has been focused on the thermal part of the neutron spectrum. To be able to carry out proper calculations for fast systems the used codes have to account for neutron resonances including the self-shielding effect. The presented study aims at verifying the spectral HELIOS, MCNPX and SCALE codes on the basis of depletion calculations of 2D MOX and ceramic fuel assemblies of the ALLEGRO gas-cooled fast reactor demonstrator in infinite lattice.

  3. Chemical contaminants in water and sediment near fish nesting sites in the Potomac River basin: determining potential exposures to smallmouth bass (Micropterus dolomieu)

    Science.gov (United States)

    Kolpin, Dana W.; Blazer, Vicki; Gray, James L.; Focazio, Michael J.; Young, John A.; Alvarez, David A.; Iwanowicz, Luke R.; Foreman, William T.; Furlong, Edward T.; Speiran, Gary K.; Zaugg, Steven D.; Hubbard, Laura E.; Meyer, Michael T.; Sandstrom, Mark W.; Barber, Larry B.

    2013-01-01

    The Potomac River basin is an area where a high prevalence of abnormalities such as testicular oocytes (TO), skin lesions, and mortality has been observed in smallmouth bass (SMB, Micropterus dolomieu). Previous research documented a variety of chemicals in regional streams, implicating chemical exposure as one plausible explanation for these biological effects. Six stream sites in the Potomac basin (and one out-of-basin reference site) were sampled to provide an assessment of chemicals in these streams. Potential early life-stage exposure to chemicals detected was assessed by collecting samples in and around SMB nesting areas. Target chemicals included those known to be associated with important agricultural and municipal wastewater sources in the Potomac basin. The prevalence and severity of TO in SMB were also measured to determine potential relations between chemistry and biological effects. A total of 39 chemicals were detected at least once in the discrete-water samples, with atrazine, caffeine, deethylatrazine, simazine, and iso-chlorotetracycline being most frequently detected. Of the most frequently detected chemicals, only caffeine was detected in water from the reference site. No biogenic hormones/sterols were detected in the discrete-water samples. In contrast, 100 chemicals (including six biogenic hormones/sterols) were found in a least one passive-water sample, with 25 being detected at all such samples. In addition, 46 chemicals (including seven biogenic hormones/sterols) were found in the bed-sediment samples, with caffeine, cholesterol, indole, para-cresol, and sitosterol detected in all such samples. The number of herbicides detected in discrete-water samples per site had a significant positive relation to TOrank (a nonparametric indicator of TO), with significant positive relations between TOrank and atrazine concentrations in discrete-water samples and to total hormone/sterol concentration in bed-sediment samples. Such significant correlations

  4. Determining octanol-water partition coefficients for extremely hydrophobic chemicals by combining 'slow stirring' and solid phase micro extraction

    NARCIS (Netherlands)

    Jonker, Michiel T O

    2016-01-01

    Octanol-water partition coefficients (Kow ) are widely used in fate and effects modelling of chemicals. Still, high quality experimental Kow data are scarce, in particular for very hydrophobic chemicals. This hampers reliable assessments of several fate and effect parameters and the development and

  5. Using a moving measurement platform for determining the chemical composition of atmospheric aerosols between Moscow and Vladivostok

    Directory of Open Access Journals (Sweden)

    S. Kuokka

    2007-09-01

    Full Text Available The TROICA-9 expedition (Trans-Siberian Observations Into the Chemistry of the Atmosphere was carried out at the Trans-Siberian railway between Moscow and Vladivostok in October 2005. Measurements of aerosol physical and chemical properties were made from an observatory carriage connected to a passenger train. Black carbon (BC concentrations in fine particles (PM2.5, aerodynamic diameter <2.5 μm were measured with an aethalometer using a five-minute time resolution. Concentrations of inorganic ions and some organic compounds (Cl, NO3, SO42−, Na+, NH4+, K+, Ca2+, Mg2+, oxalate and methane sulphonate were measured continuously by using an on-line system with a 15-min time resolution. In addition, particle volume size distributions were determined for particles in the diameter range 3–850 nm using a 10-min time resolution. The continuous measurements were completed with 24-h PM2.5 filter samples stored in a refrigerator and analyzed later in a chemical laboratory. The analyses included the mass concentrations of PM2.5, ions, monosaccharide anhydrides (levoglucosan, galactosan and mannosan and trace elements (Al, As, Cd, Co, Cr, Cu, Fe, Mn, Ni, Pb, Sb, V and Zn. The mass concentrations of PM2.5 varied in the range of 4.3–34.8 μg m−3 with an average of 21.6 μg m−3. Fine particle mass consisted mainly of BC (average 27.6%, SO42− (13.0%, NH4+ (4.1% and NO3 (1.4%. One of the major constituents was obviously organic carbon which was not determined. The contribution of BC was high compared with other studies made in Europe and Asia. High concentrations of ions, BC and particle volume were observed between Moscow and roughly 4000 km east of it, as well as close to Vladivostok

  6. Free-energy calculations using classical molecular simulation: application to the determination of the melting point and chemical potential of a flexible RDX model.

    Science.gov (United States)

    Sellers, Michael S; Lísal, Martin; Brennan, John K

    2016-03-21

    We present an extension of various free-energy methodologies to determine the chemical potential of the solid and liquid phases of a fully-flexible molecule using classical simulation. The methods are applied to the Smith-Bharadwaj atomistic potential representation of cyclotrimethylene trinitramine (RDX), a well-studied energetic material, to accurately determine the solid and liquid phase Gibbs free energies, and the melting point (Tm). We outline an efficient technique to find the absolute chemical potential and melting point of a fully-flexible molecule using one set of simulations to compute the solid absolute chemical potential and one set of simulations to compute the solid-liquid free energy difference. With this combination, only a handful of simulations are needed, whereby the absolute quantities of the chemical potentials are obtained, for use in other property calculations, such as the characterization of crystal polymorphs or the determination of the entropy. Using the LAMMPS molecular simulator, the Frenkel and Ladd and pseudo-supercritical path techniques are adapted to generate 3rd order fits of the solid and liquid chemical potentials. Results yield the thermodynamic melting point Tm = 488.75 K at 1.0 atm. We also validate these calculations and compare this melting point to one obtained from a typical superheated simulation technique.

  7. A colourimetric method for the determination of the degree of chemical cross-linking in aspartic acid-based polymer gels

    Directory of Open Access Journals (Sweden)

    B. Gyarmati

    2015-02-01

    Full Text Available A 2,4,6-trinitrobenzenesulphonic acid (TNBS-based assay is developed to determine the degree of chemical cross-linking in aspartic acid-based polymer gels. The conventional colourimetric method for the quantitative determination of amine groups is difficult to use in polymer networks; thus, an improved method is developed to analyse polymer gels swollen in dimethyl sulfoxide (DMSO. Reaction products of the derivatizing reaction are examined by NMR. The chemical stability of the reagent is increased in DMSO, and the method shows satisfactory linearity and accuracy. The degree of chemical cross-linking in the investigated gels is close to its theoretical maximum, but the conversion of the pendant amine groups to cross-linking points is strongly dependent on the feed composition of the gels.

  8. Ion suppression in the determination of clenbuterol in urine by solid-phase extraction atmospheric pressure chemical ionisation ion-trap mass spectrometry

    NARCIS (Netherlands)

    van Hout, M.W.J.; Niederlander, H.A G; de Zeeuw, R.A.; de Jong, G.J.

    2003-01-01

    Ion suppression effects were observed during the determination of clenbuterol in urine with solid-phase extraction/multiple-stage ion-trap mass spectrometry (SPE/MS3), despite the use of atmospheric pressure chemical ionisation. During SPE, a polymeric stationary phase (polydivinylbenzene) was appli

  9. Atmospheric-Pressure Chemical Ionization Tandem Mass Spectrometry (APGC/MS/MS) an Alternative to High-Resolution Mass Spectrometry (HRGC/HRMS) for the Determination of Dioxins

    NARCIS (Netherlands)

    Bavel, Van Bert; Geng, Dawei; Cherta, Laura; Nácher-Mestre, Jaime; Portolés, Tania; Ábalos, Manuela; Sauló, Jordi; Abad, Esteban; Dunstan, Jody; Jones, Rhys; Kotz, Alexander; Winterhalter, Helmut; Malisch, Rainer; Traag, Wim; Hagberg, Jessika; Ericson Jogsten, Ingrid; Beltran, Joaquim; Hernández, Félix

    2015-01-01

    The use of a new atmospheric-pressure chemical ionization source for gas chromatography (APGC) coupled with a tandem quadrupole mass spectrometry (MS/MS) system, as an alternative to high-resolution mass spectrometry (HRMS), for the determination of PCDDs/PCDFs is described. The potential of usin

  10. Determination of the capabilities of a detachment for neutralizing chemical attack effects in the brigade defense zone

    Directory of Open Access Journals (Sweden)

    Dejan R. Inđić

    2012-04-01

    Full Text Available This paper presents one possible way of deploying detachments for neutralizing the effects of chemical attacks in a brigade defense zone. The detachment composition is provisional and depends on the assessment of whether the enemy in the incoming combat will use weapons of mass destruction. A detachment consists of several organizational units: medical care forces, chemical reconnaissance forces, forces for the establishment of combat efficiency and chemical decontamination forces. The capabilities of the mentioned forces depend on their size, equipment, training level, extent of effects and combat conditions. The paper indicates a potential to overcome the gap in the provisions after disbanding the Army Corps.

  11. Chemical Analysis of Magnesia and Magnesia-Alumina Refractory Materials——Gravimetric method for determination of loss on ignition

    Institute of Scientific and Technical Information of China (English)

    WANG Jing

    2006-01-01

    @@ 1 Scope This standard specifies the gravimetric method for determination of loss on ignition. This standard is used for the determination of loss on ignition of magnesia and magnesia-alumina refractory materials. Determination range: ≥0.10%

  12. Determination of the composition of the organic matter chemically stabilized by agricultural soil clay minerals: Spectroscopy and Density Fractionation

    Science.gov (United States)

    Oufqir, Sofia; Bloom, Paul; Toner, Brandy; Hatcher, Patrick

    2014-05-01

    The interactions between soil organic matter and clay minerals are considered important processes because of their ability to sequester C in soil for long periods of time, and hence control C in the global C cycle when present. However, differing results have been reported regarding the composition of the soil organic matter - aromatic fractions versus aliphatic fractions - associated with clay minerals. To clarify this critical issue and better understand the C sequestration process in soils, we aimed to determine the nature of the chemically bound natural organic matter on clay surfaces, and to probe the speciation and spatial distribution of C in the soil clay nanoparticles using direct spectroscopic measurements namely solid-state CP-MAS and DP-MAS 13C NMR spectroscopy, x-ray diffraction spectroscopy (XRD), and scanning transmission x-ray microscopy (STXM). We tested the hypotheses that peptides and polysaccharides are stabilized by the smectite-illite clay while the lipids and black carbon are a separate phase; and that they are evenly distributed on clay surfaces. A soil clay fraction (5.5% organic C) was isolated from the surface of a prairie soil (Mollisol) in southwestern Minnesota, characterized by a pH 6.0, 32.5% clay content, and 3.7% organic carbon, using a sonication-sedimentation-siphoning process in distilled water. Then was subjected to density separation combined with low energy ultrasonic dispersion to separate the free organic and black C (light fraction) from the chemically bound C (heavy fraction). The XRD results indicated a dominance of interstratified smectite-illite clays in soil. The 13C-NMR spectra of the soil clay fraction suggested that polysaccharides and polypeptides are the prevailing components of the organic matter associated with the mineral clay, with only a minor component of aromatic C. The light fraction has strong alkyl C-H bands characteristic of fatty acids plus strong C-O bands characteristic of polysaccharides, including

  13. Determination of the Chemical Structures of Tandyukisins B–D, Isolated from a Marine Sponge-Derived Fungus

    Directory of Open Access Journals (Sweden)

    Takeshi Yamada

    2015-05-01

    Full Text Available Tandyukisins B–D (1–3, novel decalin derivatives, have been isolated from a strain of Trichoderma harzianum OUPS-111D-4 originally derived from the marine sponge Halichondria okadai, and their structures have been elucidated on the basis of spectroscopic analyses using 1D and 2D NMR techniques. In addition, their chemical structures were established by chemical transformation. They exhibited weak cytotoxicity, but selective growth inhibition on panel screening using 39 human cancer cell lines.

  14. Determination of physico-chemical properties of fine-grained waste from the cleaning of iron casting

    OpenAIRE

    2017-01-01

    In the European Union one of the most important activities is the recovery and recycling of waste including foundry waste. In the article waste arising from production of iron casting was presented. Selected physic-chemical properties of iron-bearing waste were defined. Opportunities of waste management are related to their chemical construction as well as some physical properties. On the basic the results of research the solutions of foundry waste management were proposed.

  15. Organic, inorganic and total mercury determination in fish by chemical vapor generation with collection on a gold gauze and electrothermal atomic absorption spectrometry

    Science.gov (United States)

    Duarte, Fábio Andrei; Bizzi, Cezar Augusto; Antes, Fabiane Goldschmidt; Dressler, Valderi Luiz; Flores, Érico Marlon de Moraes

    2009-06-01

    A method for organic, inorganic and total mercury determination in fish tissue has been developed using chemical vapor generation and collection of mercury vapor on a gold gauze inside a graphite tube and further atomization by electrothermal atomic absorption spectrometry. After drying and cryogenic grinding, potassium bromide and hydrochloric acid solution (1 mol L - 1 KBr in 6 mol L - 1 HCl) was added to the samples. After centrifugation, total mercury was determined in the supernatant. Organomercury compounds were selectively extracted from KBr solution using chloroform and the resultant solution was back extracted with 1% m/v L-cysteine. This solution was used for organic Hg determination. Inorganic Hg remaining in KBr solution was directly determined by chemical vapor generation electrothermal atomic absorption spectrometry. Mercury vapor generation from extracts was performed using 1 mol L - 1 HCl and 2.5% m/v NaBH 4 solutions and a batch chemical vapor generation system. Mercury vapor was collected on the gold gauze heated resistively at 80 °C and the atomization temperature was set at 650 °C. The selectivity of extraction was evaluated using liquid chromatography coupled to chemical vapor generation and determination by inductively coupled plasma mass spectrometry. The proposed method was applied for mercury analysis in shark, croaker and tuna fish tissues. Certified reference materials were used to check accuracy and the agreement was better than 95%. The characteristic mass was 60 pg and method limits of detection were 5, 1 and 1 ng g - 1 for organic, inorganic and total mercury, respectively. With the proposed method it was possible to analyze up to 2, 2 and 6 samples per hour for organic, inorganic and total Hg determination, respectively.

  16. Organic, inorganic and total mercury determination in fish by chemical vapor generation with collection on a gold gauze and electrothermal atomic absorption spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Duarte, Fabio Andrei; Bizzi, Cezar Augusto; Goldschmidt Antes, Fabiane; Dressler, Valderi Luiz [Departamento de Quimica, Universidade Federal de Santa Maria, 97105-900 Santa Maria, RS (Brazil); Flores, Erico Marlon de Moraes [Departamento de Quimica, Universidade Federal de Santa Maria, 97105-900 Santa Maria, RS (Brazil)], E-mail: flores@quimica.ufsm.br

    2009-06-15

    A method for organic, inorganic and total mercury determination in fish tissue has been developed using chemical vapor generation and collection of mercury vapor on a gold gauze inside a graphite tube and further atomization by electrothermal atomic absorption spectrometry. After drying and cryogenic grinding, potassium bromide and hydrochloric acid solution (1 mol L{sup - 1} KBr in 6 mol L{sup - 1} HCl) was added to the samples. After centrifugation, total mercury was determined in the supernatant. Organomercury compounds were selectively extracted from KBr solution using chloroform and the resultant solution was back extracted with 1% m/v L-cysteine. This solution was used for organic Hg determination. Inorganic Hg remaining in KBr solution was directly determined by chemical vapor generation electrothermal atomic absorption spectrometry. Mercury vapor generation from extracts was performed using 1 mol L{sup - 1} HCl and 2.5% m/v NaBH{sub 4} solutions and a batch chemical vapor generation system. Mercury vapor was collected on the gold gauze heated resistively at 80 deg. C and the atomization temperature was set at 650 deg. C. The selectivity of extraction was evaluated using liquid chromatography coupled to chemical vapor generation and determination by inductively coupled plasma mass spectrometry. The proposed method was applied for mercury analysis in shark, croaker and tuna fish tissues. Certified reference materials were used to check accuracy and the agreement was better than 95%. The characteristic mass was 60 pg and method limits of detection were 5, 1 and 1 ng g{sup - 1} for organic, inorganic and total mercury, respectively. With the proposed method it was possible to analyze up to 2, 2 and 6 samples per hour for organic, inorganic and total Hg determination, respectively.

  17. Determining Chemical Reactivity Driving Biological Activity from SMILES Transformations: The Bonding Mechanism of Anti-HIV Pyrimidines

    Directory of Open Access Journals (Sweden)

    Mihai V. Putz

    2013-07-01

    Full Text Available Assessing the molecular mechanism of a chemical-biological interaction and bonding stands as the ultimate goal of any modern quantitative structure-activity relationship (QSAR study. To this end the present work employs the main chemical reactivity structural descriptors (electronegativity, chemical hardness, chemical power, electrophilicity to unfold the variational QSAR though their min-max correspondence principles as applied to the Simplified Molecular Input Line Entry System (SMILES transformation of selected uracil derivatives with anti-HIV potential with the aim of establishing the main stages whereby the given compounds may inhibit HIV infection. The bonding can be completely described by explicitly considering by means of basic indices and chemical reactivity principles two forms of SMILES structures of the pyrimidines, the Longest SMILES Molecular Chain (LoSMoC and the Branching SMILES (BraS, respectively, as the effective forms involved in the anti-HIV activity mechanism and according to the present work, also necessary intermediates in molecular pathways targeting/docking biological sites of interest.

  18. PLUTON: Three-group neutronic code for burnup analysis of isotope generation and depletion in highly irradiated LWR fuel rods

    Energy Technology Data Exchange (ETDEWEB)

    Lemehov, Sergei E; Suzuki, Motoe [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment

    2001-08-01

    PLUTON is a three-group neutronic code analyzing, as functions of time and burnup, the change of radial profiles, together with average values, of power density, burnup, concentration of trans-uranium elements, plutonium buildup, depletion of fissile elements, and fission product generation in water reactor fuel rod with standard UO{sub 2}, UO{sub 2}-Gd{sub 2}O{sub 3}, inhomogeneous MOX, and UO{sub 2}-ThO{sub 2}. The PLUTON code, which has been designed to be run on Windows PC, has adopted a theoretical shape function of neutron attenuation in pellet, which enables users to perform a very fast and accurate calculation easily. The present code includes the irradiation conditions of the Halden Reactor which gives verification data for the code. The total list of trans-uranium elements included in the calculations consists of {sub 92}U{sup 233-239}, {sub 93}Np{sup 237-239}, {sub 94}Pu{sup 238-243}, {sub 95}Am{sup 241-244} (including isomers), and {sub 96}Cm{sup 242-245}. Poisoning fission products are represented by {sub 54}Xe{sup 131,133,135}, {sub 48}Cd{sup 113}, {sub 62}Sm{sup 149,151,152}, {sub 64}Gd{sup 154-160}, {sub 63}Eu{sup 153,155}, {sub 36}Kr{sup 83,85}, {sub 42}Mo{sup 95}, {sub 43}Tc{sup 99}, {sub 45}Rh{sup 103}, {sub 47}Ag{sup 109}, {sub 53}I{sup 127,129,131}, {sub 55}Cs{sup 133}, {sub 57}La{sup 139}, {sub 59}Pr{sup 141}, {sub 60}Nd{sup 143-150}, {sub 61}Pm{sup 147}. Fission gases and volatiles included in the code are {sub 36}Kr{sup 83-86}, {sub 54}Xe{sup 129-136}, {sub 52}Te{sup 125-130}, {sub 53}I{sup 127-131}, {sub 55}Cs{sup 133-137}, and {sub 56}Ba{sup 135-140}. Verification has been performed up to 83 GWd/tU, and a satisfactory agreement has been obtained. (author)

  19. Determining

    Directory of Open Access Journals (Sweden)

    Bahram Andarzian

    2015-06-01

    Full Text Available Wheat production in the south of Khuzestan, Iran is constrained by heat stress for late sowing dates. For optimization of yield, sowing at the appropriate time to fit the cultivar maturity length and growing season is critical. Crop models could be used to determine optimum sowing window for a locality. The objectives of this study were to evaluate the Cropping System Model (CSM-CERES-Wheat for its ability to simulate growth, development, grain yield of wheat in the tropical regions of Iran, and to study the impact of different sowing dates on wheat performance. The genetic coefficients of cultivar Chamran were calibrated for the CSM-CERES-Wheat model and crop model performance was evaluated with experimental data. Wheat cultivar Chamran was sown on different dates, ranging from 5 November to 9 January during 5 years of field experiments that were conducted in the Khuzestan province, Iran, under full and deficit irrigation conditions. The model was run for 8 sowing dates starting on 25 October and repeated every 10 days until 5 January using long-term historical weather data from the Ahvaz, Behbehan, Dezful and Izeh locations. The seasonal analysis program of DSSAT was used to determine the optimum sowing window for different locations as well. Evaluation with the experimental data showed that performance of the model was reasonable as indicated by fairly accurate simulation of crop phenology, biomass accumulation and grain yield against measured data. The normalized RMSE were 3%, 2%, 11.8%, and 3.4% for anthesis date, maturity date, grain yield and biomass, respectively. Optimum sowing window was different among locations. It was opened and closed on 5 November and 5 December for Ahvaz; 5 November and 15 December for Behbehan and Dezful;and 1 November and 15 December for Izeh, respectively. CERES-Wheat model could be used as a tool to evaluate the effect of sowing date on wheat performance in Khuzestan conditions. Further model evaluations

  20. Isotopic analyses and calculation by use of JENDL-3.2 for high burn-up UO{sub 2} and MOX spent fuels

    Energy Technology Data Exchange (ETDEWEB)

    Sasahara, Akihiro; Matsumura, Tetsuo [Central Research Inst. of Electric Power Industry, Komae, Tokyo (Japan). Komae Research Lab.; Nicolaou, G.; Betti, M.; Walker, C.T.

    1997-03-01

    The post irradiation examinations (PIE) were carried out for high burn-up UO{sub 2} spent fuel (3.8%U235, average burn-up:60GWd/t) and mixed oxide (MOX) spent fuel (5.07%Pu, average burn-up:45GWd/t). The PIE includes, (a) isotopic analysis, (b) electron probe microanalysis (EPMA) in pellet cross section and so on. The results of isotopic analyses and EPMA were compared with ORIGEN2/82 and VIM-BURN calculation results. In VIM-BURN calculation, the nuclear data of actinides were proceeded from new data file, JENDL-3.2. The sensitivities of power history and moderator density to nuclides composition were investigated by VIM-BURN calculation and consequently power history mainly effected on Am241 and Am242m and moderator density effected on fissile nuclides. From EPMA results of U and Pu distribution in pellet, VIM-BURN calculation showed reasonable distribution in pellet cross section. (author)

  1. Raman micro-spectroscopy of UOX and MOX spent nuclear fuel characterization and oxidation resistance of the high burn-up structure

    Science.gov (United States)

    Jegou, C.; Gennisson, M.; Peuget, S.; Desgranges, L.; Guimbretière, G.; Magnin, M.; Talip, Z.; Simon, P.

    2015-03-01

    Raman micro-spectroscopy was applied to study the structure and oxidation resistance of UO2 (burnup 60 GWd/tHM) and MOX (burnup 47 GWd/tHM) irradiated fuels. The Raman technique, adapted to working under extreme conditions, enabled structural information to be obtained at the cubic micrometer scale in various zones of interest within irradiated fuel (central and zones like the Rim for UOX60, and the plutonium-enriched agglomerates for MOX47 characterized by a high burn-up structure), and the study of their oxidation resistance. As regards the structural information after irradiation, the spectra obtained make up a set of data consistent with the systematic presence of the T2g band characteristic of the fluorite structure, and of a triplet band located between 500 and 700 cm-1. The existence of this triplet can be attributed to the presence of defects originating in changes to the fuel chemistry occurring in the reactor (presence of fission products) and to the accumulation of irradiation damage. As concerns the oxidation resistance of the different zones of interest, Raman spectroscopy results confirmed the good stability of the restructured zones (plutonium-enriched agglomerates and Rim) rich in fission products compared to the non-restructured UO2 grains. A greater structural stability was noticed in the case of high plutonium content agglomerates, as this element favors the maintenance of the fluorite structure.

  2. Measurement of the composition of noble-metal particles in high-burnup CANDU fuel by wavelength dispersive X-ray microanalysis

    Energy Technology Data Exchange (ETDEWEB)

    Hocking, W.H.; Szostak, F.J

    1999-09-01

    An investigation of the composition of the metallic inclusions in CANDU fuel, which contain Mo, Tc, Ru, Rh and Pd, has been conducted as a function of burnup by wavelength dispersive X-ray (WDX) microanalysis. Quantitative measurements were performed on micrometer sized particles embedded in thin sections of fuel using elemental standards and the ZAF method. Because the fission yields of the noble metals change with burnup, as a consequence of a shift from almost entirely {sup 235}U fission to mainly {sup 239}Pu fission, their inventories were calculated from the fuel power histories using the WIMS-Origin code for comparison with experiment. Contrary to expectations that the oxygen potential would be buffered by progressive Mo oxidation, little evidence was obtained for reduced incorporation of Mo in the noble-metal particles at high burnup. These surprising results are discussed with respect to the oxygen balance in irradiated CANDU fuels and the likely intrinsic and extrinsic sinks for excess oxygen. (author)

  3. Distribution of phosphorus and hydroxypropyl groups within granules of modified sweet potato starches as determined after chemical peeling

    NARCIS (Netherlands)

    Zhao, J.; Schols, H.A.; Chen Zenghong,; Jin, Z.; Buwalda, P.; Gruppen, H.

    2015-01-01

    The distributions of phosphorus and hydroxypropyl groups within granules of cross-linked and hydroxypropylated sweet potato starches were investigated. Chemical surface peeling of starch granules was performed after sieving of native and modified starches into large-size (diameter = 20 µm) and small

  4. Determination of the interfacial area of a continuous integrated mixer/separator (CINC) using a chemical reaction method

    NARCIS (Netherlands)

    Schuur, B.; Jansma, W. J.; Winkelman, J. G. M.; Heeres, H. J.

    2008-01-01

    The effect of the liquid flow rates (18-100 mL/min) and rotor frequency (30-60 Hz) on the interfacial area of a liquid-liquid system in a CINC-V02 continuous integrated mixer/separator have been studied using a chemical reaction method. Topical specific interfacial areas were in the range of 3.2 x 1

  5. Use of the enhanced frog embryo teratogenesis assay-Xenopus (FETAX) to determine chemically-induced phenotypic effects.

    Science.gov (United States)

    Hu, Lingling; Zhu, Jingmin; Rotchell, Jeanette M; Wu, Lijiao; Gao, Jinjuan; Shi, Huahong

    2015-03-01

    The frog embryo teratogenesis assay-Xenopus (FETAX) is an established method for the evaluation of the developmental toxicities of chemicals. To develop an enhanced FETAX that is appropriate for common environmental contaminants, we exposed Xenopus tropicalis embryos to eight compounds, including tributyltin, triphenyltin, CdCl2, pyraclostrobin, picoxystrobin, coumoxystrobin, all-trans-retinoic acid and 9-cis-retinoic acid. Multiple malformations were induced in embryos particularly following exposure to tributyltin, triphenyltin and pyraclostrobin at environmentally relevant concentrations. Based on the range of observed malformations, we proposed a phenotypic assessment method with 20 phenotypes and a 0-5 scoring system. This derived index exhibited concentration-dependent relationships for all of the chemicals tested. Furthermore, the phenotype profiles were characteristic of the different tested chemicals. Our results indicate that malformation phenotypes can be quantitatively integrated with the primary endpoints in conventional FETAX assessments to allow for increased sensitivity and measurement of quantitative effects and to provide indicative mechanistic information for each tested chemical.

  6. Chemical synthesis of La1 isolated from the venom of the scorpion Liocheles australasiae and determination of its disulfide bonding pattern.

    Science.gov (United States)

    Nagao, Junya; Miyashita, Masahiro; Nakagawa, Yoshiaki; Miyagawa, Hisashi

    2015-08-01

    La1 is a 73-residue cysteine-rich peptide isolated from the scorpion Liocheles australasiae venom. Although La1 is the most abundant peptide in the venom, its biological function remains unknown. Here, we describe a method for efficient chemical synthesis of La1 using the native chemical ligation (NCL) strategy, in which three peptide components of less than 40 residues were sequentially ligated. The peptide thioester necessary for NCL was synthesized using an aromatic N-acylurea approach with Fmoc-SPPS. After completion of sequential NCL, disulfide bond formation was carried out using a dialysis method, in which the linear peptide dissolved in an acidic solution was dialyzed against a slightly alkaline buffer to obtain correctly folded La1. Next, we determined the disulfide bonding pattern of La1. Enzymatic and chemical digests of La1 without reduction of disulfide bonds were analyzed by liquid chromatography/mass spectrometry (LC/MS), which revealed two of four disulfide bond linkages. The remaining two linkages were assigned based on MS/MS analysis of a peptide fragment containing two disulfide bonds. Consequently, the disulfide bonding pattern of La1 was found to be similar to that of a von Willebrand factor type C (VWC) domain. To our knowledge, this is the first report of the experimental determination of the disulfide bonding pattern of peptides having a single VWC domain as well as their chemical synthesis. La1 synthesized in this study will be useful for investigation of its biological role in the venom.

  7. Methods of analysis by the U.S. Geological Survey National Water Quality Laboratory : determination of nonpurgeable suspended organic carbon by wet-chemical oxidation and infrared spectrometry

    Science.gov (United States)

    Burkhardt, Mark R.; Kammer, James A.; Jha, Virendra K.; O'Mara-Lopez, Peggy G.; Woodworth, Mark T.

    1997-01-01

    Precision and accuracy results are described for the determination of nonpurgeable suspended organic carbon (SOC) by silver-filter filtration, wet-chemical oxidation, and infrared determination of hte resulting carbon dioxide (CO2) used at the U.S. Geological Survey's nationalWater Quality Laboratory. An aliquot of raw water isfiltered through a 0.45-micrometer silver filter. The trapped organic material is oxidized using phosphoric acid and potassium persulfate in a scaled glass ampule,and the rseulting CO2 is measured by an infrared CO2 detector. The amount of CO3 is proportional to the concentration of chemically oxidizable nonpurgeable organic carbon in the sample. The SOC method detection limit for routine analysis is 0.2 milligram per liter. The average percent recovery is 97.1 percent and the average standard deviation is 11 percent.

  8. Analysis of high burnup fuel behavior under control rod ejection accident in Korea standard nuclear power plant

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Chan Bok; Lee, Chung Chan; Kim, Oh Hwan; Kim, Jong Jin [Korea Atomic Energy Research Institute, Taejon (Korea, Republic of)

    1996-07-01

    Test results of high burnup fuel behavior under RIA(reactivity insertion accident) indicated that fuel might fail at the fuel enthalpy lower than that in the current fuel failure criteria was derived by the conservative assumptions and analysis of fuel failure mechanisms, and applied to the analysis of control rod ejection accident in the 1,000 MWe Korea standard PWR. Except that three dimensional core analysis was performed instead of conventional zero dimensional analysis, all the other conservative assumptions were kept. Analysis results showed that less than on percent of the fuel rods in the core has failed which was much less than the conventional fuel failure fraction, 9.8 %, even though a newly derived fuel failure criteria -Fuel failure occurs at the power level lower than that in the current fuel failure criteria. - was applied, since transient fuel rod power level was significantly decreased by analyzing the transient fuel rod power level was significantly decreased by analyzing the transient core three dimensionally. Therefore, it can be said that results of the radiological consequence analysis for the control rod ejection accident in the FSAR where fuel failure fraction was assumed 9.8 % is still bounding. 18 tabs., 48 figs., 39 refs. (Author).

  9. Core burnup calculation and accidents analyses of a pressurized water reactor partially loaded with rock-like oxide fuel

    Science.gov (United States)

    Akie, H.; Sugo, Y.; Okawa, R.

    2003-06-01

    A rock-like oxide (ROX) fuel - light water reactor (LWR) burning system has been studied for efficient plutonium transmutation. For the improvement of small negative reactivity coefficients and severe transient behaviors of ROX fueled LWRs, a partial loading core of ROX fuel assemblies with conventional UO 2 assemblies was considered. As a result, although the reactivity coefficients could be improved, the power peaking tends to be large in this heterogeneous core configuration. The reactivity initiated accident (RIA) and loss of coolant accident (LOCA) behaviors were not sufficiently improved. In order to reduce the power peaking, the fuel composition and the assembly design of the ROX fuel were modified. Firstly, erbium burnable poison was added as Er 2O 3 in the ROX fuel to reduce the burnup reactivity swing. Then pin-by-pin Pu enrichment and Er content distributions within the ROX fuel assembly were considered. In addition, the Er content distribution was also considered in the axial direction of the ROX fuel pin. With these modifications, a power peaking factor even lower than the one in a conventional UO 2 fueled core can be obtained. The RIA and LOCA analyses of the modified core have also shown the comparable transient behaviors of ROX partial loading core to those of the UO 2 core.

  10. Chemical Characterization and Kinetic parameter determination under Rancimat test conditions of four monovarietal virgin olive oils grown in Morocco

    Directory of Open Access Journals (Sweden)

    Gharby Said

    2016-07-01

    Full Text Available The aim of the present investigation is to compare the chemical characterization of four monovarietal virgin olive oils obtained from fruits of olive trees grown in Morocco (Picholine, Picual, Arebiquine, Koroneiki with kinetic parameters of oxidation based on Rancimat measurements and finally to assess the oxidative stabilities. The examined oils from different varieties showed a chemical composition within the regulatory limits. Rancimat measurements of induction times were carried out under isothermal conditions in an air atmosphere at temperatures from 373 to 423 K with intervals of 10 K. Using the Arrhenius-type correlation between the inverse induction times and the absolute temperature of the measurements, Ea, Z, and k values for oil oxidation under Rancimat conditions were calculated. The primary kinetic parameters derived from this method were qualitatively consistent and help to evaluate the oxidative stabilities of oils at increased temperatures.

  11. A fire-assay and wet chemical method for the determination of palladium, platinum, gold, and silver in ores and concentrates.

    Science.gov (United States)

    Moloughney, P E

    1980-04-01

    A method is presented for the determination of palladium, platinum, gold and silver in ores and concentrates by a fire-assay and wet chemical technique. After parting of the lead assay button with dilute nitric acid, and separation of the solution from the residue, the palladium and platinum in the solution are precipitated by the addition of stannous chloride, with tellurium as collector. The resulting precipitate is combined with the gold residue and dissolved in aqua regia, then the solution is analysed for palladium, platinum and gold by atomic-absorption spectrophotometry (AAS). Silver is determined in the original solution by AAS before the reduction step.

  12. CF3(+) and CF2H(+): new reagents for n-alkane determination in chemical ionisation reaction mass spectrometry.

    Science.gov (United States)

    Blake, Robert S; Ouheda, Saleh A; Evans, Corey J; Monks, Paul S

    2016-11-28

    Alkanes provide a particular analytical challenge to commonly used chemical ionisation methods such as proton-transfer from water owing to their basicity. It is demonstrated that the fluorocarbon ions CF3(+) and CF2H(+), generated from CF4, as reagents provide an effective means of detecting light n-alkanes in the range C2-C6 using direct chemical ionisation mass spectrometry. The present work assesses the applicability of the reagents in Chemical Ionisation Mass Spectrometric (CI-TOF-MS) environments with factors such as high moisture content, operating pressures of 1-10 Torr, accelerating electric fields (E/N) and long-lived intermediate complex formation. Of the commonly used chemical ionisation reagents, H3O(+) and NO(+) only react with hexane and higher while O2(+) reacts with all the target samples, but creates significant fragmentation. By contrast, CF3(+) and CF2H(+) acting together were found to produce little or no fragmentation. In dry conditions with E/N = 100 Td or higher the relative intensity of CF2H(+) to CF3(+) was mostly less than 1% but always less than 3%, making CF3(+) the main reagent ion. Using O2(+) in a parallel series of experiments, a substantially greater degree of fragmentation was observed. The detection sensitivities of the alkanes with CF3(+) and CF2H(+), while relatively low, were found to be better than those observed with O2(+). Experiments using alkane mixtures in the ppm range have shown the ionisation technique based on CF3(+) and CF2H(+) to be particularly useful for measurements of alkane/air mixtures found in polluted environments. As a demonstration of the technique's effectiveness in complex mixtures, the detection of n-alkanes in a smoker's breath is demonstrated.

  13. Evaluation of Chemical Analysis Method and Determination of Polycyclic Aromatic Hydrocarbons Content from Seafood and Dairy Products

    OpenAIRE

    Lee, So-Young; Lee, Jee-Yeon; Shin, Han-Seung

    2015-01-01

    This study was carried out to investigate contents of 8 polycyclic aromatic hydrocarbons (PAHs) from frequently consumed seafood and dairy products and to evaluate their chemical analysis methods. Samples were collected from markets of 9 cities in Korea chosen as the population reference and evaluated. The methodology involved saponification, extraction with n-hexane, clean-up on Sep-Pak silica cartridges and gas chromatograph-mass spectrometry analysis. Validation proceeded on 2 matrices. Re...

  14. Determination of Specific Refractive Index Increment (dn/dc)μ at a Constant Chemical Potential, for Solutions of Polymer in Mixed Solvents by the GPC Method

    Institute of Scientific and Technical Information of China (English)

    WANG Qing-guo; LI Xiao-wen; CHENG Rong-shi

    2007-01-01

    A new chromatographic method is described for the determination of specific refractive index increment(dn/dc)μ at a constant chemical potential, for polymer/mixed solvent systems. In this method the (dn/dc) is obtained by measuring the areas of solvated-polymer peaks when the mixed solvent is used as an eluent. Values of(dn/dc)μ for the poly(dimethylsiloxane) (PDMS) -benzene-methanol system, determined by the proposed method are in good agreement with those determined by the conventional dialysis method. The new approach has the advantages of simplicity, fast speed, and high reproducibility. The experimental results for stearic acid-chloroform-methanol system show that this method can also be applied to nonpolymer/mixed solvent systems for the determination of (dn/dc)μ.

  15. Determination of relative potencies for chemical inhibition of spontaneous neuronal activity using a four amplifier MEA system.

    Science.gov (United States)

    Potency determination is important to identify the most promising drug candidates as well as identification of and ranking of compound toxicity. In our laboratory, we have utilized MEA recording techniques to determine the relative potency of 11 insecticidal compounds and rank th...

  16. Analysis of determination modalities concerning the exposure and emission limits values of chemical and radioactive substances; Analyse des modalites de fixation des valeurs limites d'exposition et d'emission pour les substances chimiques et radioactives

    Energy Technology Data Exchange (ETDEWEB)

    Schieber, C.; Schneider, T

    2002-08-01

    This document presents the generic approach adopted by various organizations for the determination of the public exposure limits values to chemical and radioactive substances and for the determination of limits values of chemical products emissions by some installations. (A.L.B.)

  17. Catchment-scale denudation and chemical erosion rates determined from 10Be and mass balance geochemistry (Mt. Lofty Ranges of South Australia)

    Science.gov (United States)

    Bestland, Erick A.; Liccioli, Caterina; Soloninka, Lesja; Chittleborough, David J.; Fink, David

    2016-10-01

    Global biogeochemical cycles have, as a central component, estimates of physical and chemical erosion rates. These erosion rates are becoming better quantified by the development of a global database of cosmogenic radionuclide 10Be (CRN) analyses of soil, sediment, and outcrops. Here we report the denudation rates for two small catchments (~ 0.9 km2) in the Mt. Lofty Ranges of South Australia as determined from 10Be concentrations from quartz sand from the following landscape elements: 1) dissected plateaux, or summit surfaces (14.10 ± 1.61 t km- 2 y- 1), 2) sandstone outcrops (15.37 ± 1.32 t km- 2 y- 1), 3) zero-order drainages (27.70 ± 1.42 t km- 2 y- 1), and 4) stream sediment which reflect a mix of landscape elements (19.80 ± 1.01 t km- 2 y- 1). Thus, the more slowly eroding plateaux and ridges, when juxtaposed with the more rapidly eroding side-slopes, are leading to increased relief in this landscape. Chemical erosion rates for this landscape are determined by combining cosmogenic denudation rates with the geochemical mass balance of parent rock, soil and saprolite utilizing zirconium immobility and existing mass balance methods. Two different methods were used to correct for chemical weathering and erosion in the saprolite zone that is shielded at depth from CRN production. The corrected values are higher than uncorrected values: total denudation of 33.24 or 29.11 t km- 2 y- 1, and total chemical erosion of 15.64 or 13.68 t km- 2 y- 1. Thus, according to these methods, 32-40% of the denudation is taking place by chemical weathering and erosion in the saprolite below CRN production depth. Compared with other similar areas, the overall denudation and chemical erosion rates are low. In most areas with sub-humid climates and tectonic uplift, physical erosion is much greater than chemical erosion. The low physical erosion rates in these Mt. Lofty Range catchments, in what is a relatively active tectonic setting, are thought to be due to low rainfall intensity

  18. Development of a general model for determination of thermal conductivity of liquid chemical compounds at atmospheric pressure

    DEFF Research Database (Denmark)

    Gharagheizi, Farhad; Ilani‐Kashkouli, Poorandokht; Sattari, Mehdi

    2013-01-01

    In this communication, a general model for representation/presentation of the liquid thermal conductivity of chemical compounds (mostly organic) at 1 atm pressure for temperatures below normal boiling point and at saturation pressure for temperatures above the normal boiling point is developed...... of the model comprise temperature, acentric factor, critical pressure, normal boiling temperature, and molecular weight. Nearly 80% of the data set (15,221 data) is randomly assigned to develop the model equation, 10% of the data set (1902 data) is used to validate the model, and the remaining data (1902 data...

  19. Chemical Analysis Method for Carbon Bearing Refractory Products——Determination of the Total Carbon by Combustion Gravimetric Method

    Institute of Scientific and Technical Information of China (English)

    Shen Keyin

    2007-01-01

    @@ GB/T 13245 -91 1 Theme and Scope This standard specifies the method abstract, reagents, apparatus, specimen, analyzing procedure, result calculation and permissible tolerance used for determination of the total carbon with combustion gravimetric method.

  20. Bioactive Metabolites Produced by Pseudonocardia endophytica VUK-10 from Mangrove Sediments: Isolation, Chemical Structure Determination and Bioactivity.

    Science.gov (United States)

    Mangamuri, Usha Kiranmayi; Vijayalakshmi, Muvva; Poda, Sudhakar; Manavathi, Bramanandam; Bhujangarao, Ch; Venkateswarlu, Y

    2015-05-01

    Chemical investigation of the actinobacterial isolate Pseudonocardia endophytica VUK-10 has led to the segregation of two known bioactive compounds, namely 4-(2-acetamidoethyl) phenyl acetate and 4-((1, 4-dioxooctahydropyrrolo [1, 2-a] pyrazin-3-yl) methyl) phenyl acetate. The strain was isolated from a sediment sample of the Nizampatnam mangrove ecosystem, south coastal Andhra Pradesh, India. The chemical structure of the active compounds was established on the basis of spectroscopic analysis, including (1)H NMR and (13)C NMR spectroscopies, FTIR, and EIMS. The antimicrobial and cytotoxic activities of the bioactive compounds produced by the strain were tested against opportunistic and pathogenic bacteria and fungi and on MDA-MB-231, OAW, HeLa, and MCF-7 cell lines. The compounds exhibited antimicrobial activities against gram-positive and gram-negative bacteria and fungi and also showed potent cytotoxic activity against MDA-MB-231, OAW, HeLa, and MCF-7 cell lines. This is the first example for this class of bioactive compounds isolated from Pseudonocardia of mangrove origin.

  1. A comparison of chemical and electrophoretic methods of serum protein determinations in clinically normal domestic animals of various ages.

    Science.gov (United States)

    Green, S A; Jenkins, S J; Clark, P A

    1982-10-01

    The biuret total protein method and a bromcresol green (BCG) albumin method were used on the Abbott ABA-100 chemistry analyzer to assay serum proteins in clinically normal cattle, sheep, ponies, pigs, and ducks. Total proteins were also read on a refractometer and mylar supported cellulose acetate electrophoresis was performed. Globulins and A/G ratios were calculated from the chemical method and the results compared with the electrophoretic method. Total protein, albumin and A/G ratios in the ponies, sheep and older cattle were in agreement between the two methods. The younger cattle and all the pigs had higher albumin levels and A/G ratios with the chemical BCG method. Ducks had slightly higher albumin values and A/G ratios with the electrophoretic method and the presence of pre-albumin was detected. Typical mylar supported cellulose acetate electrophoretic patterns are presented which show the excellent separation using these membranes. Means and range for normal animals are given and changes of proteins with age are discussed.

  2. QUANTITY DETERMINATION OF MOLYBDENUM FROM PISUM SATIVUM PLANTS AND THE INFLUENCE OF HEAVY METAL TO CHEMICAL ELEMENTS ACCUMULATION

    Directory of Open Access Journals (Sweden)

    MONICA BUTNARIU

    2013-12-01

    Full Text Available The aim of this study was to test the pea plant as sentinel specie for the heavy metal molybdenum. Evaluation of soil quality after the molybdenum uptake by pea revealed the following results: Pea plant is a bioindicator that concentrates molybdenum with fast reaction to increasing concentrations in soil. Molybdenum had a positive effect concerning the plant growth (throughout all experimental process, pea plants treated with highest concentrated metal solution reached the largest dimensions. Accumulated molybdenum was directly proportional to increasing concentration of the applied solution to roots, stem, leaves and flowers of the experimental plants; however it resided in flowerpot soil too .In the leguminous roots where the nitroreductase and nitrogenese activity is increased, molybdenum content was much higher compared to the aerial parts of the plant. All the way through molybdenum accumulation in the experimental plants up to high concentrations, other chemical elements revealed lower concentration although within the normal limits, with the exception of phosphorus. These plants were found to assimilate high molybdenum quantities without any detrimental consequences for them since molybdenum accumulation occurred in vacuoles in innocuous chemical forms.

  3. A Method for Integrating ZnO Coated Nanosprings into a Low Cost Redox-Based Chemical Sensor and Catalytic Tool for Determining Gas Phase Reaction Kinetics

    Directory of Open Access Journals (Sweden)

    Pavel V. Bakharev

    2014-01-01

    Full Text Available A chemical sensor (chemiresistor was constructed from a xenon light bulb by coating it with a 3-D zinc oxide coated silica nanospring mat, where the xenon light bulb serves as the sensor heater. The sensor response to toluene as a function of xenon light bulb sensor temperature (TLB and vapor temperature (TV was observed and analyzed. The optimum operational parameters in terms of TLB and TV were determined to be 435 °C and 250 °C, respectively. The activation energy of toluene oxidation (Ed on the ZnO surface was determined to be 87 kJ·mol−1, while the activation energy of oxidation (Ea of the depleted ZnO surface was determined to be 83 kJ·mol−1. This study serves as proof of principle for integrating nanomaterials into an inexpensive sensor platform, which can also be used to characterize gas-solid, or vapor-solid, redox processes.

  4. Chemical interactions in complex matrices: Determination of polar impurities in biofuels and fuel contaminants in building materials

    Science.gov (United States)

    Baglayeva, Ganna

    The solutions to several real-life analytical and physical chemistry problems, which involve chemical interactions in complex matrices are presented. The possible interferences due to the analyte-analyte and analyte-matrix chemical interactions were minimized on each step of the performed chemical analysis. Concrete and wood, as major construction materials, typically become contaminated with fuel oil hydrocarbons during their spillage. In the catastrophic scenarios (e.g., during floods), fuel oil mixes with water and then becomes entrained within the porous structure of wood or concrete. A strategy was proposed for the efficient extraction of fuel oil hydrocarbons from concrete to enable their monitoring. The impacts of sample aging and inundation with water on the extraction efficiency were investigated to elucidate the nature of analytematrix interactions. Two extraction methods, 4-days cold solvent extraction with shaking and 24-hours Soxhlet extraction with ethylacetate, methanol or acetonitrile yielded 95-100 % recovery of fuel oil hydrocarbons from concrete. A method of concrete remediation after contamination with fuel oil hydrocarbons using activated carbon as an adsorbent was developed. The 14 days remediation was able to achieve ca. 90 % of the contaminant removal even from aged water-submerged concrete samples. The degree of contamination can be qualitatively assessed using transport rates of the contaminants. Two models were developed, Fickian and empirical, to predict long-term transport behavior of fuel oil hydrocarbons under flood representative scenarios into wood. Various sorption parameters, including sorption rate, penetration degree and diffusion coefficients were obtained. The explanations to the observed three sorption phases are provided in terms of analyte-matrix interactions. The detailed simultaneous analysis of intermediate products of the cracking of triacylglycerol oils, namely monocarboxylic acids, triacyl-, diacyl- and

  5. Simultaneous Determination of Gallic Acid, Ellagic Acid, and Eugenol in Syzygium aromaticum and Verification of Chemical Antagonistic Effect by the Combination with Curcuma aromatica Using Regression Analysis

    Directory of Open Access Journals (Sweden)

    Jung-Hoon Kim

    2013-01-01

    Full Text Available This study was designed to perform simultaneous determination of three reference compounds in Syzygium aromaticum (SA, gallic acid, ellagic acid, and eugenol, and to investigate the chemical antagonistic effect when combining Curcuma aromatica (CA with SA, based on chromatographic analysis. The values of LODs and LOQs were 0.01–0.11 μg/mL and 0.03–0.36 μg/mL, respectively. The intraday and interday precisions were 0.87, indicating a linear relationship between SA and SAC. These results demonstrate that the components contained in CA could affect the extraction of components of SA mainly in a decreasing manner. The antagonistic effect of CA on SA was verified by chemical analysis.

  6. Separation of metallic residues from the dissolution of a high-burnup BWR fuel using nitrogen trifluoride

    Energy Technology Data Exchange (ETDEWEB)

    McNamara, Bruce K. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Buck, Edgar C. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Soderquist, Chuck Z. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Smith, Frances N. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Mausolf, Edward J. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Scheele, Randall D. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

    2014-03-23

    Nitrogen trifluoride (NF3) was used to fluorinate the metallic residue from the dissolution of a high burnup, boiling water reactor fuel (~70 MWd/kgU). The metallic residue included the noble metal phase (containing ruthenium, rhodium, palladium, technetium, and molybdenum), and smaller amounts of zirconium, selenium, tellurium, and silver. Exposing the noble metal phase to 10% NF3 in argon between 400 and 550°C, removed molybdenum and technetium near 400°C as their volatile fluorides, and ruthenium near 500C as its volatile fluoride. The events were thermally and temporally distinct and the conditions specified are a recipe to separate these transition metals from each other and from the noble metal phase nonvolatile residue. Depletion of the volatile fluorides resulted in substantial exothermicity. Thermal excursion behavior was recorded under non-adiabatic, isothermal conditions that typically minimize heat release. Physical characterization of the metallic noble phase and its thermal behavior are consistent with high kinetic velocity reactions encouraged by the nanoparticulate phase or perhaps catalytic influences of the mixed platinum metals with nearly pure phase structure. Post-fluorination, only two phases were present in the residual nonvolatile fraction. These were identified as a nano-crystalline, metallic palladium cubic phase and a hexagonal rhodium trifluoride (RhF3) phase. The two phases were distinct as the sub-µm crystallites of metallic palladium were in contrast to the RhF3 phase, which grew from the parent nano-crystalline noble-metal phase during fluorination, to acicular crystals exceeding 20-µm in length.

  7. Immobilization of redox mediators on functionalized carbon nanotube: A material for chemical sensor fabrication and amperometric determination of hydrogen peroxide

    Indian Academy of Sciences (India)

    D R Shobha Jeykumari; S Senthil Kumar; S Sriman Narayanan

    2005-10-01

    Chemical functionalization of single-walled carbon nanotubes with redox mediators, namely, toluidine blue and thionin have been carried out and the performance of graphite electrode modified with functionalized carbon nanotubes is described. Mechanical immobilization of functionalized single-walled nanotube (SWNT) on graphite electrode was achieved by gently rubbing the electrode surface on carbon nanotubes supported on a glass slide. The electrochemical behaviour of the modified electrodes was investigated by cyclic voltammetry. The SWNT-modified electrodes showed excellent electrocatalytic effect for the reduction of hydrogen peroxide. A decrease in overvoltage was observed as well as an enhanced peak current compared to a bare graphite electrode for the reduction of hydrogen peroxide. The catalytic current was found to be directly proportional to the amount of hydrogen peroxide taken.

  8. [The determination of the urea content in cow's milk with the help of the dry chemical system Reflotron].

    Science.gov (United States)

    Staudacher, G

    1989-01-01

    The dry chemistry laboratory unit "Reflotron" (Boehringer Mannheim) is tested for its efficacy in the determination of urea in dairy milk with the test Urea. It gives reliable results. The system is easy to handle. The storage of milk is of no influence on the level of urea.

  9. Determination of the Vibrational Constants of Some Diatomic Molecules: A Combined Infrared Spectroscopic and Quantum Chemical Third Year Chemistry Project.

    Science.gov (United States)

    Ford, T. A.

    1979-01-01

    In one option for this project, the rotation-vibration infrared spectra of a number of gaseous diatomic molecules were recorded, from which the fundamental vibrational wavenumber, the force constant, the rotation-vibration interaction constant, the equilibrium rotational constant, and the equilibrium internuclear distance were determined.…

  10. Study of the roles of chemical modifiers in determining boron using graphite furnace atomic absorption spectrometry and optimization of the temperature profile during atomization.

    Science.gov (United States)

    Yamamoto, Yuhei; Shirasaki, Toshihiro; Yonetani, Akira; Imai, Shoji

    2015-01-01

    The measurement conditions for determining boron using graphite furnace-atomic absorption spectrometry (GF-AAS) were investigated. Differences in the boron absorbance profiles were found using three different commercially available GF-AAS instruments when the graphite atomizers in them were not tuned. The boron absorbances found with and without adjusting the graphite atomizers suggested that achieving an adequate absorbance for the determination of boron requires a sharp temperature profile that overshoots the target temperature during the atomization process. Chemical modifiers that could improve the boron absorbance without the need for using coating agents were tested. Calcium carbonate improved the boron absorbance but did not suppress variability in the peak height. Improvement of boron absorbance was comparatively less using iron nitrate or copper nitrate than using calcium carbonate, but variability in the peak height was clearly suppressed using iron nitrate or copper nitrate. The limit of detection was 0.0026 mg L(-1) when iron nitrate was used. It appears that iron nitrate is a useful new chemical modifier for the quick and simple determination of boron using GF-AAS.

  11. Direct determination of arsenic in soil samples by fast pyrolysis–chemical vapor generation using sodium formate as a reductant followed by nondispersive atomic fluorescence spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Duan, Xuchuan; Zhang, Jingya; Bu, Fanlong

    2015-09-01

    This new study shows for the first time that sodium formate can react with trace arsenic to form volatile species via fast pyrolysis – chemical vapor generation. We found that the presence of thiourea greatly enhanced the generation efficiency and eliminated the interference of copper. We studied the reaction temperature, the volume of sodium formate, the reaction acidity, and the carried argon rate using nondispersive atomic fluorescence spectrometry. Under optimal conditions of T = 500 °C, the volumes of 30% sodium formate and 10% thiourea were 0.2 ml and 0.05 ml, respectively. The carrier argon rate was 300 ml min{sup −1} and the detection limit and precision of arsenic were 0.39 ng and 3.25%, respectively. The amount of arsenic in soil can be directly determined by adding trace amount of hydrochloric acid as a decomposition reagent without any sample pretreatment. The method was successfully applied to determine trace amount of arsenic in two soil-certified reference materials (GBW07453 and GBW07450), and the results were found to be in agreement with certified reference values. - Highlights: • Sodium formate can react with trace arsenic to form volatile species via pyrolysis–chemical vapor generation. • Thiourea can enhance the generation efficiency and eliminate the interference of copper. • Arsenic in soil Sample can be directly determined without sample pretreatment.

  12. Development and Comparison of Three Liquid Chromatography-Atmospheric Pressure Chemical Ionization/Mass Spectrometry Methods for Determining Vitamin D Metabolites in Human Serum

    OpenAIRE

    Bedner, Mary; Karen W. Phinney

    2012-01-01

    Liquid chromatographic methods with atmospheric pressure chemical ionization mass spectrometry were developed for the determination of the vitamin D metabolites 25-hydroxyvitamin D2 (25(OH)D2), 25-hydroxyvitamin D3 (25(OH)D3), and 3-epi-25-hydroxyvitamin-D3 (3-epi-25(OH)D3) in the four Levels of SRM 972, Vitamin D in Human Serum. One method utilized a C18 column, which separates 25(OH)D2 and 25(OH)D3, and one method utilized a CN column that also resolves the diastereomers 25(OH)D3 and 3-epi-...

  13. Quaternary structure of the ATPase complex of human 26S proteasomes determined by chemical cross-linking

    DEFF Research Database (Denmark)

    Hartmann-Petersen, R; Tanaka, K; Hendil, K B

    2001-01-01

    -linking, immunoprecipitation, and blotting, we have determined that the ATPases are organized in the order S6-S6'-S10b-S8-S4-S7. Additionally, we found cross-links between the ATPase S10b and the 20S proteasome subunit alpha6. Together with the previously known interaction between S8 and alpha1 and between S4 and alpha7...

  14. Simultaneous Determination of Cyanide and Thiocyanate in Plasma by Chemical Ionization Gas Chromatography Mass-Spectrometry (CI-GC-MS)

    Science.gov (United States)

    2012-09-04

    at RT. It has been found that SCN− can be converted to cyanide in the presence of erythrocytes [46], or oxidizing agents such as nitrite and hydrogen ...by plants. In: Keeler RF, Van Kampen KR, James LF (eds) Effects of poisons in plants on livestock. Academic Press, San Diego, pp 301–310 5...Wu HL (1994) Electron-capture gas chromatographic determination of cyanide, iodide, nitrite, sulfide , and thiocyanate anions by phase-transfer

  15. Research into Uncertainty in Measurement of Seawater Chemical Oxygen Demand by Potassium Iodide-Alkaline Potassium Permanganate Determination Method.

    OpenAIRE

    Zhang, Shiqiang; Guo, Changsong

    2007-01-01

    Using the glucose and L-glutamic-acid to prepare the standard substance according to the ratio of 1:1, and the artificial seawater and the standard substance to prepare a series of standard solutions, the distribution pattern of uncertainty in measurement of seawater COD is obtained based on the measured results of the series of standard solutions by the potassium iodide-alkaline potassium permanganate determination method. The distribution pattern is as follows: Uncertainty in measurement is...

  16. Determination of physical characteristics, chemical composition and digestion coefficients of treated lemon pulp with Saccharomyces cerevisiae in goat diet.

    Science.gov (United States)

    Dadvar, P; Dayani, O; Mehdipour, M; Morovat, M

    2015-02-01

    The aim of this study was to evaluate the effects of processing of lemon pulp with Saccharomyces cerevisiae on physical properties, chemical composition, digestion coefficients and blood parameters. Eight adult male Raeini goats were used in a 28-day period. The experimental design was a completely randomised design with two treatments and four replicates. The first 21 days were for adaptation, and the last 7 days were for collecting samples. The animals were housed in individual metabolic cages equipped with a urine-faeces separator and were fed with diet containing alfalfa hay (60%) and lemon pulp (40%) at the maintenance level. Collected data were subjected to analysis of completely randomised design. With diet containing processed lemon pulp, functional specific gravity, bulk density, soluble dry matter, percentage of crude protein, neutral detergent fibre (NDF), acid detergent fibre and crude ash were significantly increased and water-holding capacity, insoluble dry matter, insoluble ash percentage of dry matter, organic matter, crude fat, non-fibrous carbohydrates and nitrogen-free extract were significantly decreased (p lemon pulp (p lemon pulp, digestibility of crude protein and NDF was higher (p lemon pulp with S. cerevisiae improved the physical characteristics and increased the percentage of crude protein and the digestion coefficients of protein and NDF.

  17. Rapid screening method for determination of Ecstasy and amphetamines in urine samples using gas chromatography-chemical ionisation mass spectrometry.

    Science.gov (United States)

    Pellegrini, M; Rosati, F; Pacifici, R; Zuccaro, R; Romolo, F S; Lopez, A

    2002-04-05

    The need for analytical screening tests more reliable and valid to detect amphetamine and related "designer drugs" in biological samples is becoming critical, due to the increasing diffusion of these drugs on the European illegal market. The most common screening procedures based on immunoassays suffer a number of limitations, including low sensitivity, lack of specificity and limited number of detectable substances. This paper describes a screening method based on gas-chromatography-mass-spectrometry (GC/MS) using positive chemical ionisation (PCI) detection. Methanol was used as reactant gas in the ionisation chamber. Molecular ions of different compounds were monitored, allowing a sensitivity of 5-10 ng/ml with high selectivity. The sensitivity of the method gives positive results in samples taken 48-72 h after intake of one dose of 50-100 mg. The method is simple and rapid. Sample preparation was limited to one liquid-liquid extraction, without any hydrolysis and derivatisation. Hydrolysis is critical to identify metabolites excreted as conjugates. Blank urine samples spiked with known amounts of amphetamine (AM), methylamphetamine (MA), methylenedioxyamphetamine (MDA), methylenedioxymethylamphetamine (MDMA), methylenedioxyethylamphetamine (MDEA) and methylenedioxyphenyl-N-methyl-2-butanamine (MBDB) were analysed. The method was successfully tested on real samples of urine from people, whose use of amphetamine was suspected, and results were compared with results obtained with immunoassays.

  18. Determining soil redistribution in Dian Lake catchment by combined use of caesium-137 and selected chemical properties

    Institute of Scientific and Technical Information of China (English)

    Zhang Mingli; Yang Hao; Xu Congan; Wang Yihong

    2009-01-01

    Recent development in the use of the environmental radionuclide caesium-137 for documenting rates and patterns of soil redistribution on the cultivated or uncultivated land and estimating rates of sediment deposition on floodplains represents an important advance that overcomes many of the limitations' of the conventional techniques commonly applied in such investigations.A study on soil redistribution (including soil erosion and deposition) was carried out in the Dian Lake catchment,Yunnan Province,using 137Cs and selected chemical properties.The average soil erosion rate was 1,280.2 t km-2yr-1.Soil erosion rate occurring on different parts of the slope was significantly different on different parts of the slope,increasing from the top,the bottom to the middle slope.The average soil erosion rate is also different with the land use type and that of the cultivated land (1,672.8 t km-2 yr-1) is higher than of the uncultivated land (1,161.2 t km-2yr-1).The result shows that landform,slope gradient and land use type are key factors that influence the size of soil erosion.In addition,we also find the SOC and TN contents and amount of the soil erosion to be correlated in the soil.With the soil erosion occurring,there are land degradation and the local eco-environmental problems,such as water eutrophication in Dian Lake

  19. Using the pseudophase kinetic model to interpret chemical reactivity in ionic emulsions: determining antioxidant partition constants and interfacial rate constants.

    Science.gov (United States)

    Gu, Qing; Bravo-Díaz, Carlos; Romsted, Laurence S

    2013-06-15

    Kinetic results obtained in cationic and anionic emulsions show for the first time that pseudophase kinetic models give reasonable estimates of the partition constants of reactants, here t-butylhydroquinone (TBHQ) between the oil and interfacial region, P(O)(I), and the water and interfacial region, P(W)(I), and of the interfacial rate constant, k(I), for the reaction with an arenediazonium ion in emulsions containing a 1:1 volume ratio of a medium chain length triglyceride, MCT, and aqueous acid or buffer. The results provide: (a) an explanation for the large difference in pH, >4 pH units, required to run the reaction in CTAB (pH 1.54, added HBr) and SDS (pH 5.71, acetate buffer) emulsions; (b) reasonable estimates of PO(I) and k(I) in the CTAB emulsions; (c) a sensible interpretation of added counterion effects based on ion exchange in SDS emulsions (Na(+)/H3O(+) ion exchange in the interfacial region) and Donnan equilibrium in CTAB emulsions (Br(-) increasing the interfacial H3O(+)); and (d) the significance of the effect of the much greater solubility of TBHQ in MCT versus octane, 1000/1, as the oil. These results should aid in interpreting the effects of ionic surfactants on chemical reactivity in emulsions in general and in selecting the most efficient antioxidant for particular food applications.

  20. Analysis of fresh fuel critical experiments appropriate for burnup credit validation

    Energy Technology Data Exchange (ETDEWEB)

    DeHart, M.D.; Bowman, S.M.

    1995-10-01

    The ANS/ANS-8.1 standard requires that calculational methods used in determining criticality safety limits for applications outside reactors be validated by comparison with appropriate critical experiments. This report provides a detailed description of 34 fresh fuel critical experiments and their analyses using the SCALE-4.2 code system and the 27-group ENDF/B-IV cross-section library. The 34 critical experiments were selected based on geometry, material, and neutron interaction characteristics that are applicable to a transportation cask loaded with pressurized-water-reactor spent fuel. These 34 experiments are a representative subset of a much larger data base of low-enriched uranium and mixed-oxide critical experiments. A statistical approach is described and used to obtain an estimate of the bias and uncertainty in the calculational methods and to predict a confidence limit for a calculated neutron multiplication factor. The SCALE-4.2 results for a superset of approximately 100 criticals are included in uncertainty analyses, but descriptions of the individual criticals are not included.

  1. Analysis of Fresh Fuel Critical Experiments Appropriate for Burnup Credit Validation

    Energy Technology Data Exchange (ETDEWEB)

    DeHart, M.D.

    1995-01-01

    The ANS/ANS-8.1 standard requires that calculational methods used in determining criticality safety limits for applications outside reactors be validated by comparison with appropriate critical experiments. This report provides a detailed description of 34 fresh fuel critical experiments and their analyses using the SCALE-4.2 code system and the 27-group ENDF/B-IV cross-section library. The 34 critical experiments were selected based on geometry, material, and neutron interaction characteristics that are applicable to a transportation cask loaded with pressurized-water-reactor spent fuel. These 34 experiments are a representative subset of a much larger data base of low-enriched uranium and mixed-oxide critical experiments. A statistical approach is described and used to obtain an estimate of the bias and uncertainty in the calculational methods and to predict a confidence limit for a calculated neutron multiplication factor. The SCALE-4.2 results for a superset of approximately 100 criticals are included in uncertainty analyses, but descriptions of the individual criticals are not included.

  2. An extended version of the SERPENT-2 code to investigate fuel burn-up and core material evolution of the Molten Salt Fast Reactor

    Energy Technology Data Exchange (ETDEWEB)

    Aufiero, M.; Cammi, A.; Fiorina, C. [Politecnico di Milano, Department of Energy, CeSNEF (Enrico Fermi Center for Nuclear Studies), via Ponzio, 34/3, I-20133 Milano (Italy); Leppänen, J. [VTT Technical Research Centre of Finland, P.O. Box 1000, FI-02044 VTT (Finland); Luzzi, L., E-mail: lelio.luzzi@polimi.it [Politecnico di Milano, Department of Energy, CeSNEF (Enrico Fermi Center for Nuclear Studies), via Ponzio, 34/3, I-20133 Milano (Italy); Ricotti, M.E. [Politecnico di Milano, Department of Energy, CeSNEF (Enrico Fermi Center for Nuclear Studies), via Ponzio, 34/3, I-20133 Milano (Italy)

    2013-10-15

    In this work, the Monte Carlo burn-up code SERPENT-2 has been extended and employed to study the material isotopic evolution of the Molten Salt Fast Reactor (MSFR). This promising GEN-IV nuclear reactor concept features peculiar characteristics such as the on-line fuel reprocessing, which prevents the use of commonly available burn-up codes. Besides, the presence of circulating nuclear fuel and radioactive streams from the core to the reprocessing plant requires a precise knowledge of the fuel isotopic composition during the plant operation. The developed extension of SERPENT-2 directly takes into account the effects of on-line fuel reprocessing on burn-up calculations and features a reactivity control algorithm. It is here assessed against a dedicated version of the deterministic ERANOS-based EQL3D procedure (PSI-Switzerland) and adopted to analyze the MSFR fuel salt isotopic evolution. Particular attention is devoted to study the effects of reprocessing time constants and efficiencies on the conversion ratio and the molar concentration of elements relevant for solubility issues (e.g., trivalent actinides and lanthanides). Quantities of interest for fuel handling and safety issues are investigated, including decay heat and activities of hazardous isotopes (neutron and high energy gamma emitters) in the core and in the reprocessing stream. The radiotoxicity generation is also analyzed for the MSFR nominal conditions. The production of helium and the depletion in tungsten content due to nuclear reactions are calculated for the nickel-based alloy selected as reactor structural material of the MSFR. These preliminary evaluations can be helpful in studying the radiation damage of both the primary salt container and the axial reflectors.

  3. An extended version of the SERPENT-2 code to investigate fuel burn-up and core material evolution of the Molten Salt Fast Reactor

    Science.gov (United States)

    Aufiero, M.; Cammi, A.; Fiorina, C.; Leppänen, J.; Luzzi, L.; Ricotti, M. E.

    2013-10-01

    In this work, the Monte Carlo burn-up code SERPENT-2 has been extended and employed to study the material isotopic evolution of the Molten Salt Fast Reactor (MSFR). This promising GEN-IV nuclear reactor concept features peculiar characteristics such as the on-line fuel reprocessing, which prevents the use of commonly available burn-up codes. Besides, the presence of circulating nuclear fuel and radioactive streams from the core to the reprocessing plant requires a precise knowledge of the fuel isotopic composition during the plant operation. The developed extension of SERPENT-2 directly takes into account the effects of on-line fuel reprocessing on burn-up calculations and features a reactivity control algorithm. It is here assessed against a dedicated version of the deterministic ERANOS-based EQL3D procedure (PSI-Switzerland) and adopted to analyze the MSFR fuel salt isotopic evolution. Particular attention is devoted to study the effects of reprocessing time constants and efficiencies on the conversion ratio and the molar concentration of elements relevant for solubility issues (e.g., trivalent actinides and lanthanides). Quantities of interest for fuel handling and safety issues are investigated, including decay heat and activities of hazardous isotopes (neutron and high energy gamma emitters) in the core and in the reprocessing stream. The radiotoxicity generation is also analyzed for the MSFR nominal conditions. The production of helium and the depletion in tungsten content due to nuclear reactions are calculated for the nickel-based alloy selected as reactor structural material of the MSFR. These preliminary evaluations can be helpful in studying the radiation damage of both the primary salt container and the axial reflectors.

  4. Sensitive determinations of Cu, Pb, Cd, and Cr elements in aqueous solutions using chemical replacement combined with surface-enhanced laser-induced breakdown spectroscopy.

    Science.gov (United States)

    Yang, X Y; Hao, Z Q; Li, C M; Li, J M; Yi, R X; Shen, M; Li, K H; Guo, L B; Li, X Y; Lu, Y F; Zeng, X Y

    2016-06-13

    In this study, chemical replacement combined with surface-enhanced laser-induced breakdown spectroscopy (CR-SENLIBS) was for the first time applied to improve the detection sensitivities of trace heavy metal elements in aqueous solutions. Utilizing chemical replacement effect, heavy metal ions in aqueous solution were enriched on the magnesium alloy surface as a solid replacement layer through reacting with the high chemical activity metallic magnesium (Mg) within 1 minute. Unitary and mixed solutions with Cu, Pb, Cd, and Cr elements were prepared to construct calibration curves, respectively. The CR-SENLIBS showed a much better detection sensitivity and accuracy for both unitary and mixed solutions. The coefficients of determination R2 of the calibration curves were above 0.96, and the LoDs were of the same order of magnitude, i.e., in the range of 0.016-0.386 μg/mL for the unitary solution, and in the range of 0.025-0.420 μg/mL for the mixed solution. These results show that CR-SENLIBS is a feasible method for improving the detection sensitivity of trace element in liquid sample, which definitely provides a way for wider application of LIBS in water quality monitoring.

  5. Rapid determination and chemical change tracking of benzoyl peroxide in wheat flour by multi-step IR macro-fingerprinting

    Science.gov (United States)

    Guo, Xiao-Xi; Hu, Wei; Liu, Yuan; Sun, Su-Qin; Gu, Dong-Chen; He, Helen; Xu, Chang-Hua; Wang, Xi-Chang

    2016-02-01

    BPO is often added to wheat flour as flour improver, but its excessive use and edibility are receiving increasing concern. A multi-step IR macro-fingerprinting was employed to identify BPO in wheat flour and unveil its changes during storage. BPO contained in wheat flour (BPO all close to 0.98. By applying second derivative spectroscopy, obvious differences among wheat flour and wheat flour contained BPO before and after storage in the range of 1500-1400 cm- 1 were disclosed. The peak of 1450 cm- 1 which belonged to BPO was blue shifted to 1453 cm- 1 (1455) which belonged to benzoic acid after one week of storage, indicating that BPO changed into benzoic acid after storage. Moreover, when using two-dimensional correlation infrared spectroscopy (2DCOS-IR) to track changes of BPO in wheat flour (0.05 mg/g) within one week, intensities of auto-peaks at 1781 cm- 1 and 669 cm- 1 which belonged to BPO and benzoic acid, respectively, were changing inversely, indicating that BPO was decomposed into benzoic acid. Moreover, another autopeak at 1767 cm- 1 which does not belong to benzoic acid was also rising simultaneously. By heating perturbation treatment of BPO in wheat flour based on 2DCOS-IR and spectral subtraction analysis, it was found that BPO in wheat flour not only decomposed into benzoic acid and benzoate, but also produced other deleterious substances, e.g., benzene. This study offers a promising method with minimum pretreatment and time-saving to identify BPO in wheat flour and its chemical products during storage in a holistic manner.

  6. Rapid determination and chemical change tracking of benzoyl peroxide in wheat flour by multi-step IR macro-fingerprinting.

    Science.gov (United States)

    Guo, Xiao-Xi; Hu, Wei; Liu, Yuan; Sun, Su-Qin; Gu, Dong-Chen; He, Helen; Xu, Chang-Hua; Wang, Xi-Chang

    2016-02-01

    BPO is often added to wheat flour as flour improver, but its excessive use and edibility are receiving increasing concern. A multi-step IR macro-fingerprinting was employed to identify BPO in wheat flour and unveil its changes during storage. BPO contained in wheat flour (BPO all close to 0.98. By applying second derivative spectroscopy, obvious differences among wheat flour and wheat flour contained BPO before and after storage in the range of 1500-1400 cm(-1) were disclosed. The peak of 1450 cm(-1) which belonged to BPO was blue shifted to 1453 cm(-1) (1455) which belonged to benzoic acid after one week of storage, indicating that BPO changed into benzoic acid after storage. Moreover, when using two-dimensional correlation infrared spectroscopy (2DCOS-IR) to track changes of BPO in wheat flour (0.05 mg/g) within one week, intensities of auto-peaks at 1781 cm(-1) and 669 cm(-1) which belonged to BPO and benzoic acid, respectively, were changing inversely, indicating that BPO was decomposed into benzoic acid. Moreover, another autopeak at 1767 cm(-1) which does not belong to benzoic acid was also rising simultaneously. By heating perturbation treatment of BPO in wheat flour based on 2DCOS-IR and spectral subtraction analysis, it was found that BPO in wheat flour not only decomposed into benzoic acid and benzoate, but also produced other deleterious substances, e.g., benzene. This study offers a promising method with minimum pretreatment and time-saving to identify BPO in wheat flour and its chemical products during storage in a holistic manner.

  7. Standard test method for determining effects of chemical admixtures on corrosion of embedded steel reinforcement in concrete exposed to chloride environments

    CERN Document Server

    American Society for Testing and Materials. Philadelphia

    2007-01-01

    1.1 This test method covers a procedure for determining the effects of chemical admixtures on the corrosion of metals in concrete. This test method can be used to evaluate materials intended to inhibit chloride-induced corrosion of steel in concrete. It can also be used to evaluate the corrosivity of admixtures in a chloride environment. 1.2 The values stated in SI units are to be regarded as the standard. The values given in parentheses are for information only. 1.3 This standard does not purport to address all of the safety concerns, if any, associated with its use. It is the responsibility of the user of this standard to establish appropriate safety and health practices and determine the applicability of regulatory limitations prior to use.

  8. Determination of Ascorbic Acid Using a New Oscillating Chemical System of Lactic Acid-Acetone-BrO3--Mn2+-H2SO4

    Institute of Scientific and Technical Information of China (English)

    YANG,Shu-Tao(杨树涛); LIN,Zhi-Xin(林智信); CAI,Ru-Xiu(蔡汝秀); GAN,Nan-Qin(甘南琴)

    2002-01-01

    Analyte pulse perturbation ( APP ) technique was applied to the study of the perturbation of ascorbic acid (AA) on the lactic acid-acetone-BrO3--Mn2+-H2SO4 oscllating reaction, and AA was determined using this new oscillating chemical system. Influence of experimental variables was investigated. The linear range lies between 5.0 × 10-7-5.5 × 10-5 mol/L, and the precision and throughput were quite good (2.43% as RSD,and 8-10 samples/h, respectively). This method was applied to the determination of real samples and the results were satisfactory. Some aspects of the potential mechanism of action of AA on the oscillating systems are discussed.

  9. Endocrine disrupting activities in sewage effluent and river water determined by chemical analysis and in vitro assay in the context of granular activated carbon upgrade.

    Science.gov (United States)

    Grover, D P; Balaam, J; Pacitto, S; Readman, J W; White, S; Zhou, J L

    2011-09-01

    As part of endocrine disruption in catchments (EDCAT) programme, this work aims to assess the temporal and spatial variations of endocrine disrupting chemicals (EDCs) in River Ray, before and after the commissioning of a full-scale granular activated carbon (GAC) plant at a sewage treatment works (STW). Through spot and passive sampling from effluent and river sites, estrogenic and anti-androgenic activities were determined by chemical analysis and in vitro bio-assay. A correlation was found between chemical analyses of the most potent estrogens (estrone (E1), 17β-estradiol (E2), 17α-ethinylestradiol (EE2)) and yeast estrogen screen (YES) measurement, both showing clearly a reduction in estrogenic activity after the commissioning of the GAC plant at the STW. During the study period, the annual average concentrations of E1, E2 and EE2 had decreased from 3.5 ng L(-1), 3.1 ng L(-1) and 0.5 ng L(-1) to below their limit of detection (LOD), respectively, with a concentration reduction of at least 91%, 81% and 60%. Annual mean estrogenic activity measured by YES of spot samples varied from 1.9 ng L(-1) to 0.4 ng L(-1) E2 equivalent between 2006 and 2008 representing a 79% reduction. Similarly, anti-androgenic activity measured by yeast anti-androgen screen (anti-YAS) of spot samples was reduced from 148.8 to 22.4 μg flutamide L(-1), or by 85%. YES and anti-YAS values were related to each other, suggesting co-existence of both types of activities from chemical mixtures in environmental samples. The findings confirm the effectiveness of a full-scale GAC in removing both estrogenic and anti-androgenic activities from sewage effluent.

  10. Determination of polycyclic aromatic hydrocarbons in fractions in asphalt mixtures using liquid chromatography coupled to mass spectrometry with atmospheric pressure chemical ionization.

    Science.gov (United States)

    Nascimento, Paulo Cicero; Gobo, Luciana Assis; Bohrer, Denise; Carvalho, Leandro Machado; Cravo, Margareth Coutinho; Leite, Leni Figueiredo Mathias

    2015-07-01

    An analytical method using liquid chromatography coupled to mass spectrometry with atmospheric pressure chemical ionization for the determination of polycyclic aromatic hydrocarbons in asphalt fractions has been developed. The 14 compounds determined, characterized by having two or more condensed aromatic rings, are expected to be present in asphalt and are considered carcinogenic and mutagenic. The parameters of the atmospheric pressure chemical ionization interface were optimized to obtain the highest possible sensitivity for all of the compounds. The limits of detection ranged from 0.5 to 346.5 μg/L and the limits of quantification ranged from 1.7 to 1550 μg/L. The method was validated against a diesel particulate extract standard reference material (NIST SRM 1975), and the obtained concentrations agreed with the certified values. The method was applied to asphalt samples after its fractionation according to ASTM D4124 and the method of Green. The concentrations of the seven polycyclic aromatic hydrocarbons quantified in the sample ranged from 0.86 mg/kg for benzo[ghi]perylene to 98.32 mg/kg for fluorene.

  11. Investigation of chemical modifiers for sulfur determination in diesel fuel samples by high-resolution continuum source graphite furnace molecular absorption spectrometry using direct analysis

    Energy Technology Data Exchange (ETDEWEB)

    Huber, Charles S. [Instituto Federal Sul-rio-grandense, Câmpus Pelotas, Pelotas, RS (Brazil); Universidade Federal do Rio Grande do Sul, Instituto de Química, Porto Alegre, RS (Brazil); Vale, Maria Goreti R. [Universidade Federal do Rio Grande do Sul, Instituto de Química, Porto Alegre, RS (Brazil); Instituto Nacional de Ciência e Tecnologia do CNPq, INCT de Energia e Ambiente, Universidade Federal da Bahia, Salvador, BA (Brazil); Welz, Bernhard [Instituto Nacional de Ciência e Tecnologia do CNPq, INCT de Energia e Ambiente, Universidade Federal da Bahia, Salvador, BA (Brazil); Universidade Federal de Santa Catarina, Departamento de Química, Florianópolis, SC (Brazil); Andrade, Jailson B. [Instituto Nacional de Ciência e Tecnologia do CNPq, INCT de Energia e Ambiente, Universidade Federal da Bahia, Salvador, BA (Brazil); Dessuy, Morgana B., E-mail: mbdessuy@ufrgs.br [Universidade Federal do Rio Grande do Sul, Instituto de Química, Porto Alegre, RS (Brazil); Instituto Nacional de Ciência e Tecnologia do CNPq, INCT de Energia e Ambiente, Universidade Federal da Bahia, Salvador, BA (Brazil)

    2015-06-01

    High-resolution continuum source graphite furnace molecular absorption spectrometry has been applied for sulfur determination in diesel fuel. The sharp rotational lines of the carbon monosulfide molecule (formed during the vaporization step) were used to measure the absorbance. The analytical line at 258.056 nm was monitored using the sum of three pixels. Different chemical modifiers were investigated and the mixture of palladium and magnesium was used as chemical modifier in combination with iridium as permanent modifier. L-Cysteine was chosen as sulfur standard and the calibration was done against aqueous standard solutions. The proposed method was applied for the analyses of four diesel samples: two S10 samples and two S500 samples. The trueness of the method was checked with a certified reference material (CRM) of sulfur in diesel fuel (NIST 2724b). Accurate results, for samples and CRM, were achieved after a dilution with propan-1-ol. The following figures of merit were obtained: characteristic mass of 17 ± 3 ng, limit of detection and limit of quantification of 1.4 mg kg{sup −1} and 4.7 mg kg{sup −1}, respectively. - Highlights: • Ir, Ru and Zr were investigated as permanent modifiers. • Ca, Mg, Pd and Pd/Mg were investigated as modifiers in solution. • Indirect determination of sulfur monitoring the molecular absorbance of the CS • Direct analysis of diesel samples using a dilution in propan-1-ol.

  12. Determination of Se in biological samples by axial view inductively coupled plasma optical emission spectrometry after digestion with aqua regia and on-line chemical vapor generation

    Energy Technology Data Exchange (ETDEWEB)

    Santos, Eder Jose dos [Instituto de Tecnologia do Parana (TECPAR), 81350-010 Curitiba, PR (Brazil)], E-mail: eder@tecpar.br; Herrmann, Amanda Beatriz; Kulik de Caires, Suzete [Instituto de Tecnologia do Parana (TECPAR), 81350-010 Curitiba, PR (Brazil); Azzolin Frescura, Vera Lucia; Curtius, Adilson Jose [Departamento de Quimica, Universidade Federal de Santa Catarina (UFSC), 880400-900 Florianopolis, SC (Brazil)

    2009-06-15

    A simple and fast method for the determination of Se in biological samples, including food, by axial view inductively coupled plasma optical emission spectrometry using on-line chemical vapor generation (CVG-ICP OES) is proposed. The concentrations of HCl and NaBH{sub 4}, used in the chemical vapor generation were optimized by factorial analysis. Six certified materials (non-fat milk powder, lobster hepatopancreas, human hair, whole egg powder, oyster tissue, and lyophilised pig kidney) were treated with 10 mL of aqua regia in a microwave system under reflux for 15 min followed by additional 15 min in an ultrasonic bath. The solutions were transferred to a 100 mL volumetric flask and the final volume was made up with water. The Se was determined directly in these solutions by CVG-ICP OES, using the analytical line at 196.026 nm. Calibration against aqueous standards in 10% v/v aqua regia in the concentration range of 0.5-10.0 {mu}g L{sup -} {sup 1} Se(IV) was used for the analysis. The quantification limit, considering a 0.5 g sample weight in a final volume of 100 mL{sup -} {sup 1} was 0.10 {mu}g g{sup -} {sup 1}. The obtained concentration values were in agreement with the total certified concentrations, according to the t-test for a 95% confidence level.

  13. Determination of Selenium by Catalytic Kinetic Spectrophotometry in Hydrogen Peroxide-PAN System%Guangzhou Chemical Industry

    Institute of Scientific and Technical Information of China (English)

    严进

    2016-01-01

    在盐酸介质中, Se(IV)对1-(2-吡啶偶氮)-2-萘酚(PAN)褪色反应有灵敏的催化作用,建立了测定Se (IV)的动力学新方法。线性范围在0~0.9μg/50 mL时符合比耳定律,检出限为2.2×10-10 g·mL-1。催化反应为动力学零级反应,表现活化能为111.28 kJ/mol,反应速率常数为7.15×10-4 s-1。考察了20多种共存离子的影响,表明本方法具有较好选择性。方法用于茶叶样品中痕量硒的测定,相对标准偏差小于3.9%,回收率在96.2%~105.5%之间。%A new kinetic spectrophotometric method for determination of trace Se(IV) was proposed. Se(IV) can sensitively catalyze the discoloration reaction of 1- (2-pyridylazo) -2-naphthol by hydrogen peroxide in HCl medium. The line arrange for determination of Se( IV) was 0~0. 9 μg/50 mL with the detection limit of 2. 2 ×10-10 g·mL-1 . The resalts from the studies suggested that the catalytic reaction was zero-order and the apparent activationenergy of this reaction was 111. 28 kJ·mol-1,and the apparent rate constant was 7. 15×10-4 s-1. The interferences of foreign ions werealso studied. The procedure was used to determine Se( IV) in tea samples, with the relative standard deviation of below 3. 9% and the average recovery of 96. 2% ~105. 5%.

  14. [Determination of chemical components of volatile oil from Cuminum cyminum L. by gas chromatography-mass spectrometry].

    Science.gov (United States)

    Yan, Jian-hui; Tang, Ke-wen; Zhong, Ming; Deng, Ning-hua

    2002-11-01

    Volatile oil was extracted from Cuminum cyminum L. by using steam distillation. More than sixty peaks were separated and 49 compounds were identified by gas chromatography-mass spectrometry (GC-MS). The relative amounts of the components were determined by area normalization method. Among the 49 compounds identified, there were 16 hydrocarbons and 32 oxygenated compounds. The main compnents were cuminal and safranal (accounting for 32.26% and 24.46% respectively in the components identified). The other nine compounds with contents all over 1%, were monterpenes, sesquiterpenes, aromatic aldehydes and aromatic oxides etc. The other components with relatively small amounts were chiefly terpenes, terpenols, terpenals, terpenones, terpene esters and aromatic compounds. It is good to separate polar and apolar components in the volatile oil from Cuminum cyminum L. on the GC capillary column of moderate polarity.

  15. Determination of methylene blue biosorption by Rhizopus arrhizus in the presence of surfactants with different chemical structures.

    Science.gov (United States)

    Karatay, Sevgi Ertuğrul; Gül, Ulküye Dudu; Dönmez, Gönül

    2014-10-03

    Methylene blue (MB) biosorption properties of Rhizopus arrhizus were investigated in the presence of surfactants. The effects of cationic and anionic surfactants on MB removal by dead biomass (1 g L(-1)) were determined. MB removal was tested as a function of initial pH (2-12), contact time (5-1440 min), and dye (37.4-944.7 mg L(-1)) and surfactant (0-10 mM) concentrations. The opposite charged anionic surfactant dodecylbenzenesulfonic acid sodium salt (DBS) enhanced sorption of cationic MB by biomass dramatically. Maximum biosorption capacity was 471.5 mg g(-1) at pH 8 with 0.5 mM DBS at 944.7 mg L(-1) MB concentration. The surfactant-stimulated fungal decolorization method may provide a highly efficient, inexpensive, and time-saving procedure in biological wastewater treatment technologies.

  16. Determination of Atropine Sulfate in Human Urines by Capillary Electrophoresis Using Chemical Modified Electrode as Electrochemiluminescence Sensor

    Directory of Open Access Journals (Sweden)

    Min Zhou

    2011-01-01

    Full Text Available A Ru(bpy3 2+-based electrochemiluminescence (ECL detection coupled with capillary electrophoresis (CE was developed for the determination of atropine sulfate on the basis of an Eu-PB modified platinum electrode as the working electrode. The analyte was injected to separation capillary of 50 cm length (25 μm i.d., 360 μm o.d. by electrokinetic injection for 10 s at 10 kV. Parameters related to the separation and detection were discussed and optimized. It was proved that 10 mM phosphate buffer at pH 8.0 could achieve the most favorable resolution, and the high sensitivity of detection was obtained by using the detection potential at 1.15 V and 5 mM Ru(bpy3 2+ in 80 mM phosphate buffer at pH 8.0 in the detection reservoir. Under the optimized conditions, the ECL peak area was in proportion to atropine sulfate concentration in the range from 0.08 to 20 μg⋅mL−1 with a detection limit of 50 ng⋅mL−1 (3σ. The relative standard derivations of migration time and peak area were 0.81 and 3.19%, respectively. The developed method was successfully applied to determine the levels of atropine sulfate in urine samples of patients with recoveries between 90.9 and 98.6%.

  17. Determination of zinc speciation in basic oxygen furnace flying dust by chemical extractions and X-ray spectroscopy.

    Science.gov (United States)

    Sammut, M L; Rose, J; Masion, A; Fiani, E; Depoux, M; Ziebel, A; Hazemann, J L; Proux, O; Borschneck, D; Noack, Y

    2008-02-01

    There is a growing concern regarding the environmental and public health risks associated with airborne particulate matter (PM). The basic oxygen furnace is one of the most important atmospheric dust sources of the steel manufacturing process. It emits dust enriched in heavy metal such as Zn, which is assumed to contribute to the toxic potential of atmospheric PM. Dust collected before and after the filtration system was analyzed to determine Zn speciation. To this end, a variety of analytical tools were used and a sequential extraction protocol has been specifically developed for iron and steel dust. The Zn speciation results obtained by EXAFS and sequential extraction were in excellent agreement. Before filtration, the speciation of Zn in BOF was 43% ZnFe(2)O(4), 23% ZnCO(3) and 16% ZnO. The same species were detected after filtration with different proportions. BOF dust after filtration contains more soluble Zn phases which may play a role in the toxic effects of the emissions.

  18. Differences in determination of chemical elements in soil and attic dust samples due to various acid treatments, Slovenia

    Directory of Open Access Journals (Sweden)

    Robert Šajn

    2003-12-01

    Full Text Available The paper gives an assessment of relationship existing between analytical values of samples, which were treated with two different acid procedures: four acid digestion and extraction in aqua regia. The sample population consisted of 256 soil samples and 139 atticdust samples collected within the frame of various geochemical studies in Slovenia. After acid treatments, elementary composition of the samples was determined by means of ICP method. As we were interested in functional relationships between both treatment procedures, we performed bivariate analysis of elementary compositions. A regression line based on the logarithms of data was used as a basic correlation indicator. We correlated the following 31 elements: Al, Ag, As, Au, Ba, Bi, Ca, Cd, Co, Cr, Cu, Fe, K, La, Mg, Mn,Mo, Na, Ni, P, Pb, S, Sb, Sc, Sr, Th, Ti, U, V, W and Zn.The majority of analytical values for elements in our samples, treated with both procedures,showed a high degree of correlation and a good functional relationship. A weak relationship existed only between those elements that were on detection limits of theanalytical method or had a weak variability (Ag, Ba, Bi, K, Na, Ti, and W. On the basis of the results of double treatment and analysis of samples we calculated the boundary, warning and critical values, which are related to four acid digestion.

  19. Electrochemical behavior of folic acid at calixarene based chemically modified electrodes and its determination by adsorptive stripping voltammetry

    Energy Technology Data Exchange (ETDEWEB)

    Vaze, Vishwanath D. [Department of Chemistry, University of Mumbai, Vidyanagari, Santacruz (East), Mumbai 400098 (India); Srivastava, Ashwini K. [Department of Chemistry, University of Mumbai, Vidyanagari, Santacruz (East), Mumbai 400098 (India)], E-mail: aksrivastava@chem.mu.ac.in

    2007-12-31

    Voltammetric behavior of folic acid at plain carbon paste electrode and electrode modified with calixarenes has been studied. Two peaks for irreversible oxidation were observed. Out of the three calixarenes chosen for modification of the electrodes, p-tert-butyl-calix[6]arene modified electrode (CME-6) was found to have better sensitivity for folic acid. Chronocoulometric and differential pulse voltammetric studies reveal that folic acid can assemble at CME-6 to form a monolayer whose electron transfer rate is 0.00273 s{sup -1} with 2-electron/2-proton transfer for the peak at +0.71 V against SCE. An adsorption equilibrium constant of 5 x 10{sup 3} l/mol for maximum surface coverage of 2.89 x 10{sup -10} mol/cm{sup 2} was obtained. The current is found to be rectilinear with concentration by differential pulse voltammetry. However, linearity in the lower range of concentration 8.79 x 10{sup -12} M to 1.93 x 10{sup -9} M with correlation coefficient of 0.9920 was achieved by adsorptive stripping voltammetry. The limit of detection obtained was found to be 1.24 x 10{sup -12} M. This method was used for the determination of folic acid in a variety of samples, viz. serum, asparagus, spinach, oranges and multivitamin preparations.

  20. Determination and characterization of phytochelatins by liquid chromatography coupled with on line chemical vapour generation and atomic fluorescence spectrometric detection.

    Science.gov (United States)

    Bramanti, Emilia; Toncelli, Daniel; Morelli, Elisabetta; Lampugnani, Leonardo; Zamboni, Roberto; Miller, Keith E; Zemetra, Joseph; D'Ulivo, Alessandro

    2006-11-10

    Liquid chromatography (LC) coupled on line with UV/visible diode array detector (DAD) and cold vapour generation atomic fluorescence spectrometry (CVGAFS) has been developed for the speciation, determination and characterization of phytochelatins (PCs). The method is based on a bidimensional approach, e.g. on the analysis of synthetic PC solutions (apo-PCs and Cd(2+)-complexed PCs) (i) by size exclusion chromatography coupled to UV diode array detector (SEC-DAD); (ii) by the derivatization of PC -SH groups in SEC fractions by p-hydroxymercurybenzoate (PHMB) and the indirect detection of PC-PHMB complexes by reversed phase liquid chromatography coupled to atomic fluorescence detector (RPLC-CVGAFS). MALDI-TOF/MS (matrix assisted laser desorption ionization time of flight mass spectrometry) analysis of underivatized synthetic PC samples was performed in order have a qualitative information of their composition. Quantitative analysis of synthetic PC solutions has been performed on the basis of peak area of PC-PHMB complexes of the mercury specific chromatogram and calibration curve of standard solution of glutathione (GSH) complexed to PHMB (GS-PHMB). The limit of quantitation (LOQ) in terms of GS-PHMB complex was 90 nM (CV 5%) with an injection volume of 35 microL, corresponding to 3.2 pmol (0.97 ng) of GSH. The method has been applied to analysis of extracts of cell cultures from Phaeodactylum tricornutum grown in Cd-containing nutrient solutions, analysed by SEC-DAD-CVGAFS and RPLC-DAD-CVGAFS.

  1. Modeling of PWR fuel at extended burnup; Estudo de modelos para o comportamento a altas queimas de varetas combustiveis de reatores a agua leve pressurizada

    Energy Technology Data Exchange (ETDEWEB)

    Dias, Raphael Mejias

    2016-11-01

    This work studies the modifications implemented over successive versions in the empirical models of the computer program FRAPCON used to simulate the steady state irradiation performance of Pressurized Water Reactor (PWR) fuel rods under high burnup condition. In the study, the empirical models present in FRAPCON official documentation were analyzed. A literature study was conducted on the effects of high burnup in nuclear fuels and to improve the understanding of the models used by FRAPCON program in these conditions. A steady state fuel performance analysis was conducted for a typical PWR fuel rod using FRAPCON program versions 3.3, 3.4, and 3.5. The results presented by the different versions of the program were compared in order to verify the impact of model changes in the output parameters of the program. It was observed that the changes brought significant differences in the results of the fuel rod thermal and mechanical parameters, especially when they evolved from FRAPCON-3.3 version to FRAPCON-3.5 version. Lower temperatures, lower cladding stress and strain, lower cladding oxide layer thickness were obtained in the fuel rod analyzed with the FRAPCON-3.5 version. (author)

  2. Comparison of three optimized digestion methods for rapid determination of chemical oxygen demand: Closed microwaves, open microwaves and ultrasound irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Domini, Claudia E. [Departamento de Quimica, Universidad Nacional del Sur, Av. Alem 1253, 8000 Bahia Blanca (Argentina); Hidalgo, Montserrat [Departamento de Quimica Analitica, Nutricion y Bromatologia, Universidad de Alicante, Apdo. 99, 03080 Alicante (Spain); Marken, Frank [Department of Chemistry, University of Bath, Bath BA2 7AY (United Kingdom); Canals, Antonio [Departamento de Quimica Analitica, Nutricion y Bromatologia, Universidad de Alicante, Apdo. 99, 03080 Alicante (Spain)]. E-mail: a.canals@ua.es

    2006-03-02

    In the present work, experimental design was used for the fast optimization of three kinds of sample digestion procedures with the final aim of obtaining the COD value of wastewater samples. The digestion methods evaluated were 'closed microwave-assisted' (CMWD), 'open microwave-assisted' (OMWD) and 'ultrasound-assisted' (USD). Classical digestion was used as reference method. The optimum values for the different variables studied in each method were: 90 psi pressure, 475 W power and 4 min irradiation time (CMWD); 150 deg. C temperature and 4 min irradiation time (OMWD); 90% of maximum nominal power (180 W), 0.9 s (s{sup -1}) cycles and 1 min irradiation time (USD). In all cases, interference concentration that produces a deviation of 10% in COD values is 13.4, 23.4, 21.1 and 2819 mg/L for S{sup 2-}, Fe{sup 2+}, NO{sub 2} {sup -} and Cl{sup -}, respectively. Under optimum conditions, the proposed digestion methods have been successfully applied, with the exception of pyridine, to several pure organic compounds and COD recoveries for 10 real wastewater samples were ranged between 88 and 104% of the values obtained with the classical (open reflux) method used as reference, with R.S.D. lower than 4% in most cases. Thus, the use of ultrasound energy for COD determination seems to be an interesting and promising alternative to conventional open reflux and microwave-assisted digestion methods used for the same purpose since the instrumentation is simpler, cheaper and safer and the digestion step faster than the ones used for the same purpose.

  3. 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)

  4. Evaluation of the laser-induced breakdown spectroscopy technique for determination of the chemical composition of copper concentrates

    Energy Technology Data Exchange (ETDEWEB)

    Łazarek, Łukasz, E-mail: lukasz.lazarek@pwr.wroc.pl [Laser and Fiber Electronics Group, Faculty of Electronics, Wroclaw University of Technology, Wyb. Wyspianskiego 27, 50-370 Wroclaw (Poland); Antończak, Arkadiusz J.; Wójcik, Michał R. [Laser and Fiber Electronics Group, Faculty of Electronics, Wroclaw University of Technology, Wyb. Wyspianskiego 27, 50-370 Wroclaw (Poland); Drzymała, Jan [Faculty of Geoengineering, Mining and Geology, Wroclaw University of Technology, Wyb. Wyspianskiego 27, 50-370 Wroclaw (Poland); Abramski, Krzysztof M. [Laser and Fiber Electronics Group, Faculty of Electronics, Wroclaw University of Technology, Wyb. Wyspianskiego 27, 50-370 Wroclaw (Poland)

    2014-07-01

    Laser-induced breakdown spectroscopy (LIBS), like many other spectroscopic techniques, is a comparative method. Typically, in qualitative analysis, synthetic certified standard with a well-known elemental composition is used to calibrate the system. Nevertheless, in all laser-induced techniques, such calibration can affect the accuracy through differences in the overall composition of the chosen standard. There are also some intermediate factors, which can cause imprecision in measurements, such as optical absorption, surface structure and thermal conductivity. In this work the calibration performed for the LIBS technique utilizes pellets made directly from the tested materials (old well-characterized samples). This choice produces a considerable improvement in the accuracy of the method. This technique was adopted for the determination of trace elements in industrial copper concentrates, standardized by conventional atomic absorption spectroscopy with a flame atomizer. A series of copper flotation concentrate samples was analyzed for three elements: silver, cobalt and vanadium. We also proposed a method of post-processing the measurement data to minimize matrix effects and permit reliable analysis. It has been shown that the described technique can be used in qualitative and quantitative analyses of complex inorganic materials, such as copper flotation concentrates. It was noted that the final validation of such methodology is limited mainly by the accuracy of the characterization of the standards. - Highlights: • A laser-induced breakdown spectroscopy technique is introduced for composition monitoring in industrial copper concentrates. • Calibration samples consisted of pellets produced from the tested materials. • The proposed method of post-processing significantly minimizes matrix effects. • The possible uses of this technique are limited mainly by accurate characterization of the standard samples.

  5. Mixed ion-exchanger chemically modified carbon paste ion-selective electrodes for determination of triprolidine hydrochloride

    Directory of Open Access Journals (Sweden)

    Yousry M. Issa

    2010-01-01

    Full Text Available Triprolidine hydrochloride (TpCl ion-selective carbon paste electrodes were constructed using Tp-TPB/Tp-CoN and Tp-TPB/Tp-PTA as ion-exchangers. The two electrodes revealed Nernstian responses with slopes of 58.4 and 58.1 mV decade−1 at 25 °C in the ranges 6 × 10−6–1 × 10−2 and 2 × 10−5–1 × 10−2 M for Tp-TPB/Tp-CoN and Tp-TPB/Tp-PTA, respectively. The potentials of these electrodes were independent of pH in the ranges of 2.5–7.0 and 4.5–7.0, and detection limits were 6 × 10−6 and 1 × 10−5 M for Tp-TPB/Tp-CoN and Tp-TPB/Tp-PTA, respectively. The electrodes showed a very good selectivity for TpCl with respect to a large number of inorganic cations and compounds. The standard addition, potentiometric titration methods and FIA were applied to the determination of TpCl in pure solutions and pharmaceutical preparations. The results obtained were in close agreement with those found by the official method. The mean recovery values were 100.91% and 97.92% with low coefficient of variation values of 0.94%, and 0.56% in pure solutions, 99.82% and 98.53% with coefficient of variation values of 2.20%, and 0.73% for Actifed tablet and Actifed syrup, respectively, using the Tp-TPB/Tp-CoN electrode, and 98.85%, and 99.18% with coefficient of variation values of 0.48% and 0.85% for Actifed tablet and Actifed syrup, respectively, using the Tp-TPB/Tp-PTA electrode.

  6. Neutronic Study of Burnup, Radiotoxicity, Decay Heat and Basic Safety Parameters of Mono-Recycling of Americium in French Pressurised Water Reactors

    Directory of Open Access Journals (Sweden)

    Robert Bright Mawuko Sogbadji

    2017-03-01

    Full Text Available The reprocessing of actinides with long half-life has been non-existent except for plutonium (Pu. This work looks at reducing the actinides inventory nuclear fuel waste meant for permanent disposal. The uranium oxide fuel (UOX assembly, as in the open cycle system, was designed to reach a burnup of 46GWd/T and 68GWd/T using the MURE code. The MURE code is based on the coupling of a static Monte Carlo code and the calculation of the evolution of the fuel during irradiation and cooling periods. The MURE code has been used to address two different questions concerning the mono-recycling of americium (Am in present French pressurised water reactors (PWR. These are reduction of americium in the clear fuel cycle and the safe quantity of americium that can be introduced into mixed oxide (MOX as fuel. The spent UOX was reprocessed to fabricate MOX assemblies, by the extraction of plutonium and addition of depleted uranium to reach burnups of 46GWd/T and 68GWd/T, taking into account various cooling times of the spent UOX assembly in the repository. The effect of cooling time on burnup and radiotoxicity was then ascertained. After 30 years of cooling in the repository, the spent UOX fuel required a higher concentration of Pu to be reprocessed into MOX fuel due to the decay of Pu-241. Americium, with a mean half-life of 432 years, has a high radiotoxicity level, high mid-term residual heat and is a precursor for other long-lived isotopes. An innovative strategy would be to reprocess not only the plutonium from the UOX spent fuel but also the americium isotopes, which presently dominate the radiotoxicity of waste. The mono-recycling of Am is not a definitive solution because the once-through MOX cycle transmutation of Am in a PWR is not enough to destroy all americium. The main objective is to propose a ‘waiting strategy’ for both Am and Pu in the spent fuel so that they can be made available for further transmutation strategies. The MOX and

  7. 胡萝卜果胶的化学结构特征研究与含量测定%Chemical Structure and Content Determination of Carrot Pectin

    Institute of Scientific and Technical Information of China (English)

    李洋; 何立巍; 何睦; 李晓曦; 彭稳稳; 笪婧雯; 耿婷婷; 武圆圆

    2012-01-01

    OBJECTIVE: To study the chemical structure of carrot pectin and to determine the content of it. METHODS: The average molecular weight was determinate by HPGPC; Paper chromatography (PC) and HPLC were used to identify the major monosaccharide component of pectin; UV and IR spectroscopy indentiry the chemical structure; the content of pectin was determined by sulfuric acid-cardyl method. RESULTS: The average molecular weight of carrot pectin was 1 750 625 and monosaccharide mainly composed of D-galactolipin and D-galacturonic acid; monosaccharide was mainly connected by β-pyran type glycosidic bonds. The content of pectin to galacturonic acid was 66.06%. CONCLUSION: The carrot pectin extract has large content of poly-saccharide and obvious chemical structure. The trial provides theory and trial basis for further development of carrot pectin.%目的:研究胡萝卜果胶的化学结构特征,并测定其含量.方法:采用高效凝胶渗透液相色谱法测定胡萝卜果胶的相对分子质量;纸色谱、高效液相色谱法鉴别果胶中主要单糖组成;紫外、红外光谱法鉴别其化学结构特征;硫酸-咔唑法测定果胶的含量.结果:胡萝卜果胶的平均相对分子质量为1750625,主要单糖组成为D-半乳糖和D-半乳糖醛酸;单糖的连接方式主要为β-吡喃型糖苷键连接.果胶含量以半乳糖醛酸计为66.06%.结论:胡萝卜果胶提取物多糖含量较高、化学结构特征明显.本试验结果可为胡萝卜果胶的进一步开发提供理论和试验基础.

  8. Determination of atrazine and its major degradation products in soil pore water by solid-phase extraction, chemical derivatization, and gas chromatography/mass spectrometry

    Science.gov (United States)

    Carter, D.S.

    1996-01-01

    This report describes a method for the determination of atrazine, desethylatrazine, deisopropylatrazine, didealkylatrazine, and hydroxyatrazine from soil pore waters by use of solid-phase extractionfollowed by chemical derivatization and gas chromatography/mass spectrometry. The analytes are isolated from the pore-water matrix byextraction onto a graphitized carbon-black cartridge. The cartridge is dried under vacuum, and adsorbed analytes are removed by elution with ethyl acetate followed by dichloromethane/methanol (7:3, volume/volume). Water is removed from the ethyl acetate fraction on an anhydrous sodium sulfate column. The combined fractions are solvent exchanged into acetonitrile, evaporated by use of a nitrogen stream, and derivatized by use of N- methyl-N-(tert-butyldimethylsilyl)- trifluoroacetamide. The derivatized extracts are analyzed by capillary-column gaschromatography/electron-impact mass spectrometry in the scan mode. Estimated method detection limits range from 0.03 to 0.07 micrograms per liter. The mean recoveries of all analytes and surrogates determined at 0.74 to 0.82 micrograms per liter in reagent water in soil pore water were 94 percent and 98 percent, respectively. The mean recoveries of all analytes and surrogates determined at 7.4 to 8.2 micrograms per liter in reagent water and in soil pore water were 96 percent and 97 percent,respectively. Recoveries were 90 percent or higher, regardless of analyte concentration or matrix composition, for all compounds excepthydroxyatrazine, whose recoveries were slightly lower (77 percent) at the low concentration.

  9. Development and validation of an ultra high-performance liquid chromatographic method for the determination of a diastereomeric impurity in (+)-pinoresinol diglucoside chemical reference substance.

    Science.gov (United States)

    Song, Jing-Zheng; Cheung, Lok Man; Liu, Xin; Qiao, Chun-Feng; Zhou, Yan; Li, Song-Lin; Chen, Shi-Lin; Xu, Hong-Xi

    2010-07-01

    (+)-Pinoresinol 4,4'-di-O-beta-D-glucopyranoside ((+)-PDG) is one of the major lignans with various pharmacological activities which could be isolated from Duzhong and other plant species. In this study, a diastereomeric impurity, (-)-pinoresinol 4,4'-di-O-beta-D-glucopyranoside ((-)-PDG), the main impurity was identified in (+)-PDG chemical reference substance (CRS) and a reliable chromatographic method for rapid purity determination of (+)-PDG CRS was firstly developed. The optimal chromatographic condition was found to be using ACN/1,4-dioxane-water (2.5:6:91.5, v/v/v) as mobile phase on a Waters Acquity UPLC HSS T3 column (2.1 mm x 100 mm, 1.8 microm) with column temperature of 37 degrees C. The method was validated and applied to determine the chromatographic purity of five (+)-PDG CRS samples. The content of (-)-PDG in four commercial (+)-PDG CRS was 8.47-20.30%, whereas no (-)-PDG was detected in our in-house prepared (+)-PDG CRS in which purity was confirmed to be 99.80%. The above results confirmed that this method is fast and highly efficient for purity determination of the (+)-PDG CRS.

  10. Simultaneous Determination of Gallic Acid, Ellagic Acid, and Eugenol in Syzygium aromaticum and Verification of Chemical Antagonistic Effect by the Combination with Curcuma aromatica Using Regression Analysis.

    Science.gov (United States)

    Kim, Jung-Hoon; Seo, Chang-Seob; Kim, Seong-Sil; Ha, Hyekyung

    2013-01-01

    This study was designed to perform simultaneous determination of three reference compounds in Syzygium aromaticum (SA), gallic acid, ellagic acid, and eugenol, and to investigate the chemical antagonistic effect when combining Curcuma aromatica (CA) with SA, based on chromatographic analysis. The values of LODs and LOQs were 0.01-0.11  μ g/mL and 0.03-0.36  μ g/mL, respectively. The intraday and interday precisions were values, and the recovery was in the range of 92.19-103.24%, with RSD values reference and relative peaks in SA and SA combined with CA (SAC), the amounts of gallic acid and eugenol were increased, while that of ellagic acid was decreased in SAC (compared with SA), and most of peak areas in SA were reduced in SAC. Regression analysis of the relative peak areas between SA and SAC showed r (2) values >0.87, indicating a linear relationship between SA and SAC. These results demonstrate that the components contained in CA could affect the extraction of components of SA mainly in a decreasing manner. The antagonistic effect of CA on SA was verified by chemical analysis.

  11. Liquid chromatography tandem mass spectrometry determination of chemical markers and principal component analysis of Vitex agnus-castus L. fruits (Verbenaceae) and derived food supplements.

    Science.gov (United States)

    Mari, Angela; Montoro, Paola; Pizza, Cosimo; Piacente, Sonia

    2012-11-01

    A validated analytical method for the quantitative determination of seven chemical markers occurring in a hydroalcoholic extract of Vitex agnus-castus fruits by liquid chromatography electrospray triple quadrupole tandem mass spectrometry (LC/ESI/(QqQ)MSMS) is reported. To carry out a comparative study, five commercial food supplements corresponding to hydroalcoholic extracts of V. agnus-castus fruits were analysed under the same chromatographic conditions of the crude extract. Principal component analysis (PCA), based only on the variation of the amount of the seven chemical markers, was applied in order to find similarities between the hydroalcoholic extract and the food supplements. A second PCA analysis was carried out considering the whole spectroscopic data deriving from liquid chromatography electrospray linear ion trap mass spectrometry (LC/ESI/(LIT)MS) analysis. High similarity between the two PCA was observed, showing the possibility to select one of these two approaches for future applications in the field of comparative analysis of food supplements and quality control procedures.

  12. Determination of microbial chemical markers by gas chromatography-mass spectrometry--potential for diagnosis and studies on metabolism in situ. Review article.

    Science.gov (United States)

    Larsson, L

    1994-03-01

    Different strategies for the application of gas chromatography (GC) and gas chromatography-mass spectrometry (GC-MS) in medical microbiology research are discussed. GC can be used to determine specific microbial monomeric constituents and metabolites, so-called chemical markers, in cultures of microorganisms; in particular, analysis of cellular fatty acids has proven useful for species characterization and identification. GC-MS can be applied to study chemical markers directly in complex environmental samples, as exemplified by the analysis of airborne organic material as regards muramic acid (marker of peptidoglycan), 3-hydroxy acids (endotoxins), and ergosterol (fungal biomass). This methodological approach represents an alternative to various biological assays for characterization of airborne microbial structures, and forms a firm basis for correlating inhalation of such structures and development of symptoms. Direct GC-MS analysis of clinical samples provides possibilities for diagnosis (here exemplified by chiral separation of urine D- and L-arabinitol in disseminated candidiasis) and insight into microbial metabolism in the infected host (exemplified by observed indications of mycobacterial build-up of mycolic acids in vivo), with implications for drug development. Continued developments in MS technology will allow rapid advances to be made in GC-MS research in microbiology.

  13. Evaluation of a synergetic effect between Rh as permanent chemical modifier and acetylacetone as complexing agent in Sc determination in sediment slurry samples by ETAAS

    Energy Technology Data Exchange (ETDEWEB)

    Flores, Araceli Veronica [Departamento de Quimica Analitica, Instituto de Quimica, Universidade Estadual de Campinas, P.O. Box 6154, 13084 971 Campinas, Sao Paulo (Brazil); Perez, Carlos Alberto [Laboratorio Nacional de Luz Sincrotron, P.O. Box 6192, 13084 971 Campinas, Sao Paulo (Brazil); Arruda, Marco Aurelio Zezzi [Departamento de Quimica Analitica, Instituto de Quimica, Universidade Estadual de Campinas, P.O. Box 6154, 13084 971 Campinas, Sao Paulo (Brazil)]. E-mail: zezzi@iqm.unicamp.br

    2005-02-14

    In the present work, scandium was determined in sediment slurry samples (from three different rivers) by electrothermal atomic absorption spectrometry (ETAAS). Slurries were prepared by weighting 100 mg of dry sediment samples ({<=}53 {mu}m particle sizes) and adding 6 ml of HCl:HNO{sub 3}:HF (3:1:2, v/v). Accurate results were only possible due to the synergetic effect between Rh as permanent chemical modifier and acetylacetone (Acac) as complexing agent. The same platform was used for 400 heating cycles. The performance of the chemical modification was evaluated by using scanning electron microscopy (SEM), synchrotron radiation X-ray fluorescence (SRXRF) and some figures of merit (precision and detectability). The best analytical conditions were attained using 1500 and 2550 deg. C as pyrolysis and atomization temperatures. The scandium content in the liquid phase of the slurries ranged from 61 to 73%, thus indicating, in this study, that both liquid and solid phases play an important role in slurry analyses. An amount of 5.0-20.0 {mu}g l{sup -1} Sc linear range as well as LOD and LOQ of 0.19 and 0.62 {mu}g l{sup -1}, respectively, were obtained under these conditions. The accuracy was checked by using microwave-assisted decomposition, and the results compared to those obtained with the proposed methodology (slurry analysis). By checking both sets of the results, there is no statistical difference at the 95% confidence levels.

  14. Use of sodium tungstate as a permanent chemical modifier for slurry sampling electrothermal atomic absorption spectrometric determination of indium in soils

    Energy Technology Data Exchange (ETDEWEB)

    Lopez-Garcia, Ignacio; Rivas, Ricardo E.; Hernandez-Cordoba, Manuel [University of Murcia, Department of Analytical Chemistry, Faculty of Chemistry, Murcia (Spain)

    2008-06-15

    A number of chemical modifiers have been assessed for the direct determination of indium in soils using electrothermal atomic absorption spectrometry and slurry sampling. The best results were obtained when the graphite atomizer was impregnated with sodium tungstate, which acts as a permanent chemical modifier. Slurries were prepared by suspending 100 mg sample in a solution containing 1% (v/v) concentrated nitric acid and 10% (v/v) concentrated hydrofluoric acid and then 15-{mu}L aliquots were directly introduced into the atomizer. Standard indium solutions prepared in the suspension medium in the range 4-80 {mu}g L{sup -1} indium were used for calibration. The relative standard deviation for ten consecutive measurements of a 40 {mu}g L{sup -1} indium solution was 2.8%. The limit of detection in soils was 0.1 {mu}g g{sup -1}. The reliability of the procedures was confirmed by analysing two standard reference materials and by using an alternative procedure. (orig.)

  15. Optimization of chemical and instrumental parameters in hydride generation laser-induced breakdown spectrometry for the determination of arsenic, antimony, lead and germanium in aqueous samples.

    Science.gov (United States)

    Yeşiller, Semira Unal; Yalçın, Serife

    2013-04-03

    A laser induced breakdown spectrometry hyphenated with on-line continuous flow hydride generation sample introduction system, HG-LIBS, has been used for the determination of arsenic, antimony, lead and germanium in aqueous environments. Optimum chemical and instrumental parameters governing chemical hydride generation, laser plasma formation and detection were investigated for each element under argon and nitrogen atmosphere. Arsenic, antimony and germanium have presented strong enhancement in signal strength under argon atmosphere while lead has shown no sensitivity to ambient gas type. Detection limits of 1.1 mg L(-1), 1.0 mg L(-1), 1.3 mg L(-1) and 0.2 mg L(-1) were obtained for As, Sb, Pb and Ge, respectively. Up to 77 times enhancement in detection limit of Pb were obtained, compared to the result obtained from the direct analysis of liquids by LIBS. Applicability of the technique to real water samples was tested through spiking experiments and recoveries higher than 80% were obtained. Results demonstrate that, HG-LIBS approach is suitable for quantitative analysis of toxic elements and sufficiently fast for real time continuous monitoring in aqueous environments.

  16. Structural determination of zinc dithiophosphates in lubricating oils by gas chromatography-mass spectrometry with electron impact and electron-capture negative ion chemical ionization.

    Science.gov (United States)

    Becchi, M; Perret, F; Carraze, B; Beziau, J F; Michel, J P

    2001-01-05

    Pentafluorobenzyl ester derivatives were used to identify zinc dialkyldithiophosphates and diaryldithiophosphates antiwear engine oil additives by GC-electron impact ionization (EI) MS and GC-electron-capture negative ion chemical ionization (ECNCI) MS analysis. GC-EI-MS of the dialkyldithiophosphate-pentafluorobenzyl derivatives afforded characteristic fragment ions corresponding to the cleavage of one and two alkyl radicals. In most cases, information was only obtained on one alkyl chain. Additional and complete information was obtained with retention time indices using synthetic derivatives and with GC-ECNCI-MS analysis. ECNCI afforded characteristic dithiophosphate anions which allowed the determination of the total number of carbon atoms in the alkyl radicals. The diastereoisomer mixtures of 2-hydroxy-sec.-alkyl radicals were completely separated on GC analysis.

  17. SirX: a selective inversion recovery experiment on X-nuclei for the determination of the exchange rate of slow chemical exchanges between two sites.

    Science.gov (United States)

    Xie, Xiulan; Bönisch, Friedrich

    2015-10-01

    Nuclear magnetic resonance spectroscopy has proven to be powerful for the study of dynamic processes. A new pulse sequence, SirX, is designed to provide boundary conditions that simplify the McConnell equations. Both an initial rate approximation and a whole curve fitting to the time course of magnetization can be used to calculate the exchange rate. These methods were used to study the exchange kinetics of N,N-dimethylacetamide. As compared with the well-established exchange spectroscopy suitable to studies of slow exchange, SirX has the advantage of being less time consuming and capable of providing more reliable kinetic data. Furthermore, by setting the observation on X-nuclei with larger chemical shift dispersion as compared with an observation on (1)H resonance, SirX extends the upper limit of a reliable determination of exchange rates.

  18. A novel method for the determination of chemical purity and assay of menaquinone-7. Comparison with the methods from the official USP monograph.

    Science.gov (United States)

    Jedynak, Łukasz; Jedynak, Maria; Kossykowska, Magdalena; Zagrodzka, Joanna

    2017-02-20

    An HPLC method with UV detection and separation with the use of a C30 reversed phase analytical column for the determination of chemical purity and assay of menaquinone-7 (MK7) in one chromatographic run was developed. The method is superior to the methods published in the USP Monograph in terms of selectivity, sensitivity and accuracy, as well as time, solvent and sample consumption. The developed methodology was applied to MK7 samples of active pharmaceutical ingredient (API) purity, MK7 samples of lower quality and crude MK7 samples before purification. The comparison of the results revealed that the use of USP methodology could lead to serious overestimation (up to a few percent) of both purity and MK7 assay in menaquinone-7 samples.

  19. Determination of Chemical Composition, Physical Characteristics and Nutritive Value of Treated Walnut Hull by Neurospora Sitophila through Nylon Bag and Gas Production Methods

    Directory of Open Access Journals (Sweden)

    Maasoomeh Takalloozadeh

    2015-01-01

    Full Text Available In this research, chemical composition, gas production characteristics, effective degradability and nutritive value index (NVI of DM and CP by in situ method of treated walnut hull by Nurospora Sitophila were studied. Three fistulated Kermani ram were used for determination of Walnut hull degradability. Data were analysed using completely randomize design. By processing walnut hull with Neurospora Sitophila, water holding capacity and total content of tannin and phenol decreased significantly, while the insoluble ash increased significantly. Processing had no significant effect on degradability parameters and NVI of dry matter and crude protein. Gas production volume in untreated Walnut hull in times 6, 12 and 24 hours increased significantly with comparison to the treated Walnut hull. Generally, processing of walnut hull with Nurospora Sitophila had no significant effect on nutritive value of this feedstuff.

  20. Shake-flask test for determination of biodegradation rates of 14C-labelled chemicals at low concentrations in surface water systems

    DEFF Research Database (Denmark)

    Ingerslev, F.; Nyholm, Niels

    2000-01-01

    A simple shake-flask surface water biodegradability die away test with C-14-labeled chemicals added to microgram per liter concentrations (usually 1-100 mu g/L) is described and evaluated. The aim was to provide information on biodegradation behavior and kinetic rates at environmental (low......) concentrations in surface water systems. The basic principle of measurement was to determine evolved CO2 indirectly from measurements of total organic activity in subsamples after stripping off their content of CO2, Used with surface water alone the test simulates a pelagic environment and amended with sediments...... regular reinoculation with freshly collected surface water could, however, overcome the problems of false-negative results. (C) 2000 Academic Press....

  1. Determination of metformin in mouse, rat, dog and human plasma samples by laser diode thermal desorption/atmospheric pressure chemical ionization tandem mass spectrometry.

    Science.gov (United States)

    Swales, John G; Gallagher, Richard; Peter, Raimund M

    2010-11-02

    A simple, rapid and robust high-throughput assay for the quantitative analysis of metformin in plasma from different species using laser diode thermal desorption interfaced with atmospheric chemical pressure ionization tandem mass spectrometry (LDTD-APCI-MSMS) was developed for use in a pharmaceutical discovery environment. In order to minimize sample preparation a generic protein precipitation method was used to extract metformin from the plasma. Laser diode thermal desorption is a relatively new sample introduction method, the optimization of the instrumental parameters are presented. The method was successfully applied to spiked mouse, rat, dog and human plasma samples and was subsequently used to determine the oral pharmacokinetics of metformin after dosing to male rats in order to support drug discovery projects. The deviations for intra-assay accuracy and precision across the four species were less than 30% at all calibration and quality control levels.

  2. Determination of acrylamide in food by solid-phase microextraction coupled to gas chromatography-positive chemical ionization tandem mass spectrometry.

    Science.gov (United States)

    Lee, Maw-Rong; Chang, Li-Yo; Dou, Jianpeng

    2007-01-16

    A method has been developed to determine acrylamide in aqueous matrices by using direct immersion solid-phase microextraction (SPME) coupled to gas chromatography-positive chemical ionization tandem mass spectrometry (GC-PCI-MS-MS) in the selected reaction monitoring (SRM) mode. The optimized SPME experimental procedures to extract acrylamide in water solutions were: use of a carbowax/divinylbenzene (CW/DVB)-coated fiber at pH 7, extraction time of 20 min and analyte desorption at 210 degrees C for 3 min. A detection limit of 0.1 microg L(-1) was obtained. The linear range was 1-1000 microg L(-1). The relative standard deviation was 10.64% (n=7). The proposed analytical method was successfully used for the quantification of trace acrylamide in foodstuffs such as French fries (1.2 microg g(-1)) and potato crisps (2.2 microg g(-1)).

  3. Determination of oxygen and nitrogen derivatives of polycyclic aromatic hydrocarbons in fractions of asphalt mixtures using liquid chromatography coupled to mass spectrometry with atmospheric pressure chemical ionization.

    Science.gov (United States)

    Nascimento, Paulo Cicero; Gobo, Luciana Assis; Bohrer, Denise; Carvalho, Leandro Machado; Cravo, Margareth Coutinho; Leite, Leni Figueiredo Mathias

    2015-12-01

    Liquid chromatography coupled to mass spectrometry with atmospheric pressure chemical ionization was used for the determination of polycyclic aromatic hydrocarbon derivatives, the oxygenated polycyclic aromatic hydrocarbons and nitrated polycyclic aromatic hydrocarbons, formed in asphalt fractions. Two different methods have been developed for the determination of five oxygenated and seven nitrated polycyclic aromatic hydrocarbons that are characterized by having two or more condensed aromatic rings and present mutagenic and carcinogenic properties. The parameters of the atmospheric pressure chemical ionization interface were optimized to obtain the highest possible sensitivity for all compounds. The detection limits of the methods ranged from 0.1 to 57.3 μg/L for nitrated and from 0.1 to 6.6 μg/L for oxygenated derivatives. The limits of quantification were in the range of 4.6-191 μg/L for nitrated and 0.3-8.9 μg/L for oxygenated derivatives. The methods were validated against a diesel particulate extract standard reference material (National Institute of Standards and Technology SRM 1975), and the obtained concentrations (two nitrated derivatives) agreed with the certified values. The methods were applied in the analysis of asphalt samples after their fractionation into asphaltenes and maltenes, according to American Society for Testing and Material D4124, where the maltenic fraction was further separated into its basic, acidic, and neutral parts following the method of Green. Only two nitrated derivatives were found in the asphalt sample, quinoline and 2-nitrofluorene, with concentrations of 9.26 and 2146 mg/kg, respectively, whereas no oxygenated derivatives were detected.

  4. Chemical state of fission products in irradiated UO 2

    Science.gov (United States)

    Imoto, S.

    1986-08-01

    The chemical state of fission products in irradiated UO 2 fuel has been estimated for FBR as well as LWR on the basis of equilibrium calculation with the SOLGASMIX-PV code. The system considered for the calculation is composed of a gas phase, a CaF 2 type oxide phase, three grey phases, a noble metal alloy, a mixed telluride phase and several other phases each consisting of single compound. The distribution of elements into these phases and the amount of chemical species in each phase at different temperatures are obtained as a function of oxygen potential for LWR and FBR. Changes of the chemical potential of the fuel-fission products system during burnup are also evaluated with particular attention to the difference between LWR and FBR. Some informations obtained by the calculation are compared with the results of post irradiation examination of UO 2 fuels.

  5. Burn-up Function of Fuel Management Code for Aqueous Homogeneous Reactors and Its Validation%溶液堆物理计算程序FMCAHR燃耗功能及其验证

    Institute of Scientific and Technical Information of China (English)

    汪量子; 姚栋; 王侃

    2011-01-01

    介绍了FMCAHR程序的燃耗计算模型及流程,并使用燃耗基准题和DRAGON程序对燃耗计算结果进行验证.验证结果表明,FMCAHR燃耗计算功能的准确性较高,适用于溶液堆的燃耗计算分析.%Fuel Management Code for Aqueous Homogeneous Reactors(FMCAHR)is developed based on the Monte Carlo transport method,to analyze the physics characteristics of aqueous homogeneous reactors. FMCAHR has the ability of doing resonance treatment,searching for critical rod heights,thermal hydraulic parameters calculation,radiolytic-gas bubbles' calculation and burn-up calculation. This paper introduces the theory model and scheme of its bum-up function,and then compares its calculation results with benchmarks and with DRAGON'S burn-up results,which confirms its burn-up computing precision and its applicability in the burn-up calculation and analysis for aqueous solution reactors.

  6. Development of Burnup Calculation Function in Reactor Monte Carlo Code RMC%堆用蒙卡程序燃耗计算功能开发

    Institute of Scientific and Technical Information of China (English)

    佘顶; 王侃; 余纲林

    2012-01-01

    This paper presents the burnup calculation capability of RMC, which is a new Monte Carlo (MC) neutron transport code developed by Reactor Engineering Analysis Laboratory (REAL) in Tsinghua university of China. Unlike most of existing MC depletion codes which explicitly couple the depletion module, RMC incorporates ORIGEN 2.1 in an implicit way. Different burn step strategies, including the middle-of-step approximation and the predictor-corrector method, are adopted by RMC to assure the accuracy under large burnup step size. RMC employs a spectrum-based method of tallying one-group cross section, which can considerably saves computational time with negligible accuracy loss. According to the validation results of benchmarks and examples, it is proved that the burnup function of RMC performs quite well in accuracy and efficiency.%堆用蒙卡程序(RMC)是由清华大学工程物理系REAL实验室自主开发的用于反应堆物理分析的中子输运蒙卡程序,本文主要介绍其燃耗计算功能的开发与验证.RMC的燃耗计算功能具有的特点:内部耦合ORIGEN,相比于外耦合方式,更加灵活和高效;使用基于能谱的单群截面统计方法,可在保证精度的前提下,显著提高计算效率;采取预估修正和中点近似等多种燃耗步策略,减小大燃耗步长时的计算误差.通过计算压水堆栅元、沸水堆组件、快堆等一系列基准题和算例,验证了RMC燃耗计算的正确性和速度优势.

  7. Determination of the Orientation and Dynamics of Ergosterol in Model Membranes Using Uniform 13C Labeling and Dynamically Averaged 13C Chemical Shift Anisotropies as Experimental Restraints

    Science.gov (United States)

    Soubias, O.; Jolibois, F.; Massou, S.; Milon, A.; Réat, V.

    2005-01-01

    A new strategy was established to determine the average orientation and dynamics of ergosterol in dimyristoylphosphatidylcholine model membranes. It is based on the analysis of chemical shift anisotropies (CSAs) averaged by the molecular dynamics. Static 13C CSA tensors were computed by quantum chemistry, using the gauge-including atomic-orbital approach within Hartree-Fock theory. Uniformly 13C-labeled ergosterol was purified from Pichia pastoris cells grown on labeled methanol. After reconstitution into dimyristoylphosphatidylcholine lipids, the complete 1H and 13C assignment of ergosterol's resonances was performed using a combination of magic-angle spinning two-dimensional experiments. Dynamically averaged CSAs were determined by standard side-band intensity analysis for isolated 13C resonances (C3 and ethylenic carbons) and by off-magic-angle spinning experiments for other carbons. A set of 18 constraints was thus obtained, from which the sterol's molecular order parameter and average orientation could be precisely defined. The validity of using computed CSAs in this strategy was verified on cholesterol model systems. This new method allowed us to quantify ergosterol's dynamics at three molar ratios: 16 mol % (Ld phase), 30 mol % (Lo phase), and 23 mol % (mixed phases). Contrary to cholesterol, ergosterol's molecular diffusion axis makes an important angle (14°) with the inertial axis of the rigid four-ring system. PMID:15923221

  8. Direct determination of arsenic in soil samples by fast pyrolysis-chemical vapor generation using sodium formate as a reductant followed by nondispersive atomic fluorescence spectrometry

    Science.gov (United States)

    Duan, Xuchuan; Zhang, Jingya; Bu, Fanlong

    2015-09-01

    This new study shows for the first time that sodium formate can react with trace arsenic to form volatile species via fast pyrolysis - chemical vapor generation. We found that the presence of thiourea greatly enhanced the generation efficiency and eliminated the interference of copper. We studied the reaction temperature, the volume of sodium formate, the reaction acidity, and the carried argon rate using nondispersive atomic fluorescence spectrometry. Under optimal conditions of T = 500 °C, the volumes of 30% sodium formate and 10% thiourea were 0.2 ml and 0.05 ml, respectively. The carrier argon rate was 300 ml min- 1 and the detection limit and precision of arsenic were 0.39 ng and 3.25%, respectively. The amount of arsenic in soil can be directly determined by adding trace amount of hydrochloric acid as a decomposition reagent without any sample pretreatment. The method was successfully applied to determine trace amount of arsenic in two soil-certified reference materials (GBW07453 and GBW07450), and the results were found to be in agreement with certified reference values.

  9. Species and life-history affects the utility of otolith chemical composition to determine natal stream-of-origin in Pacific salmon

    Science.gov (United States)

    Zimmerman, Christian E.; Swanson, Heidi K.; Volk, Eric C.; Kent, Adam J.R.

    2013-01-01

    To test the utility of otolith chemical composition as a tool for determining the natal stream of origin for salmon, we examined water chemistry and otoliths of juvenile and adult Chum Salmon Oncorhynchus keta and Coho Salmon O. kisutch from three watersheds (five rivers) in the Norton Sound region of Alaska. The two species are characterized by different life histories: Coho Salmon rear in freshwater for up to 3 years, whereas Chum Salmon emigrate from freshwater shortly after emergence. We used laser ablation (LA) inductively coupled plasma (ICP) mass spectrometry (MS) to quantify element: Ca ratios for Mg, Mn, Zn, Sr, and Ba, and we used multicollector LA-ICP-MS to determine 87Sr:86Sr ratios in otolith regions corresponding to the period of freshwater residence. Significant differences existed in both water and otolith elemental composition, suggesting that otolith composition could be used to discriminate the natal origin of Coho Salmon and Chum Salmon but only when 87Sr:86Sr ratios were included in the discriminant function analyses. The best discriminant model included 87Sr:86Sr ratios, and without 87Sr:86Sr ratios it was difficult to discriminate among watersheds and rivers. Classification accuracy was 80% for Coho Salmon and 68% for Chum Salmon, indicating that this method does not provide sufficient sensitivity to estimate straying rates of Pacific salmon at the scale we studied.

  10. Chemically modified carbon paste and membrane sensors for the determination of benzethonium chloride and some anionic surfactants (SLES, SDS, and LABSA): Characterization using SEM and AFM.

    Science.gov (United States)

    Issa, Yousry M; Mohamed, Sabrein H; Baset, Mohamed Abd-El

    2016-08-01

    Chemically modified carbon-paste (CMCP) and membrane- sensors based on incorporating benzothonium-tetraphenylborate (BT-TPB) were constructed for the analysis of benzethonium chloride, and some other surfactants such as sodium lauryl ether sulphate (SLES), sodium dodecyl sulphate (SDS), and linear alkylbenzene sulphonic acid (LABSA). All sensors showed good sensitivity and reverse wide linearity over a concentration range of 5.97×10(-7) to 1.00×10(-3) and 5.96×10(-7) to 3.03×10(-3)molL(-1) with limit of detection of 3.92×10(-7)and 3.40×10(-7)molL(-1) for membrane and chemically modified carbon paste sensors, respectively, with respect to benzethonium chloride (BT.Cl). They could be used over a wide pH range of 2.0-10.0. The thermal coefficients of membrane and CMCP sensors are 5.40×10(-4), 1.17×10(-4)V/°C, respectively. The sensors indicated a wide selectivity over different inorganic cations. The effect of soaking on the surface morphology of the membrane sensor was studied using EDX-SEM and AFM techniques. The response time was <10s The freshly prepared, exhausted membrane, and CMCP sensors were successfully applied for the potentiometric determination of the pure BT.Cl solution. They were also used for the determination of its pharmaceutical formulation Dermoplast(®) antibacterial spray (20% benzocaine+0.2% benzethonium chloride) with recovery values ranging from 97.54±1.70 to 101.25±1.12 and from 96.32±2.49 to 101.23±2.15%. The second goal of these sensors is the potentiometric determination of different surfactants such as SLES, SDS, and LABSA with good recovery values using BT.Cl as a titrant in their pure forms, and in samples containing one of them (shampoo, Touri(®) dishwashing liquid, and waste water). The statistical analysis of the obtained data was studied.

  11. Results of irradiation of (U0.55Pu0.45)N and (U0.4Pu0.6)N fuels in BOR-60 up to ˜12 at.% burn-up

    Science.gov (United States)

    Rogozkin, B. D.; Stepennova, N. M.; Fedorov, Yu. Ye.; Shishkov, M. G.; Kryukov, F. N.; Kuzmin, S. V.; Nikitin, O. N.; Belyaeva, A. V.; Zabudko, L. M.

    2013-09-01

    In the article presented are the results of post-irradiation tests of helium bonded fuel pins with mixed mononitride fuel (U0.55Pu0.45)N and (U0.4Pu0.6)N having 85% density irradiated in BOR-60 reactor. Achieved maximum burn-up was, respectively, equal to 9.4 and 12.1 at.% with max linear heat rates 41.9 and 54.5 kW/m. Maximum irradiation dose was 43 dpa. No damage of claddings made of ChS-68 steel (20% cold worked) was observed, and ductility margin existed. Maximum depth of cladding corrosion was within 15 μm. Swelling rates of (U0.4Pu0.6)N and (U0.55Pu0.45)N were, respectively, ˜1.1% and ˜0.68% per 1 at.%. Gas release rate did not exceed 19.3% and 19%. Pattern of porosity distribution in the fuel influenced fuel swelling and gas release rates. Plutonium and uranium are uniformly distributed in the fuel, local minimum values of their content being caused by pores and cracks in the pellets. The observable peaks in content distribution are probably connected with the local formation of isolated phases (e.g. Mo, Pd) while the minimum values refer to fuel pores and cracks. Xenon and cesium tend to migrate from the hot sections of fuel, and therefore their min content is observed in the central section of the fuel pellets. Phase composition of the fuel was determined with X-ray diffractometer. The X-ray patterns of metallographic specimens were obtained by the scanning method (the step was 0.02°, the step exposition was equal to 2 s). From the X-ray diffraction analysis data, it follows that the nitrides of both fuel types have the single-phase structure with an FCC lattice (see Table 6).

  12. Determination of Glucosamine in Human Plasma by High-Performance Liquid Chromatography-Atmospheric Pressure Chemical Ionization Source-Tandem Mass Spectrometry

    Directory of Open Access Journals (Sweden)

    Xingchen Zhou

    2011-01-01

    Full Text Available A sensitive, specific, and rapid high-performance liquid chromatography-atmospheric pressure chemical ionization source-tandem mass spectrometry (HPLC-APCI-MS/MS method for the determination of glucosamine in human plasma was developed and validated. Plasma samples were processed by protein precipitation with dehydrated ethanol, and the chromatographic separation was performed on an Agilent XDB-C18 column with a mobile phase of methanol—0.2% formic acid solution (70 : 30, v/v. Mass spectrometric quantification was carried out in the multiple reaction monitoring (MRM mode, monitoring ion transitions of m/z 180.1 to m/z 162.1 with collision energy (CE of 2 eV for glucosamine and m/z 181.1 to m/z 163.1 with CE of 2 eV for the internal standard (IS in positive ion mode. The linear calibration curves covered a concentration range of 53.27–3409 ng/mL with a lower limit of quantification (LLOQ of 53.27 ng/mL. The extraction recovery of glucosamine was greater than 101.7%. The intra- and interday precisions for glucosamine were less than 10%, and the accuracies were between 93.7% and 102.6%, determined from quality control (QC samples of three representative concentrations. The method has been successfully applied to determining the plasma concentration of glucosamine in a clinical pharmacokinetic study involving 20 healthy Chinese male volunteers.

  13. A novel method of liquid chromatography–tandem mass spectrometry combined with chemical derivatization for the determination of ribonucleosides in urine

    Energy Technology Data Exchange (ETDEWEB)

    Li, Shangfu [State Key Laboratory of Environmental and Biological Analysis, Department of Chemistry, Hong Kong Baptist University, Hong Kong (China); Jin, Yibao [Shenzhen Institute for Drug Control, Shenzhen 518055 (China); State Key Laboratory Breeding Base-Shenzhen Key Laboratory of Chemical Biology, Graduate School at Shenzhen, Tsinghua University, Shenzhen 518055 (China); Tang, Zhi; Lin, Shuhai [State Key Laboratory of Environmental and Biological Analysis, Department of Chemistry, Hong Kong Baptist University, Hong Kong (China); Liu, Hongxia [State Key Laboratory Breeding Base-Shenzhen Key Laboratory of Chemical Biology, Graduate School at Shenzhen, Tsinghua University, Shenzhen 518055 (China); Key Laboratory of Metabolomics at Shenzhen, Shenzhen 518055 (China); Jiang, Yuyang [State Key Laboratory Breeding Base-Shenzhen Key Laboratory of Chemical Biology, Graduate School at Shenzhen, Tsinghua University, Shenzhen 518055 (China); Cai, Zongwei, E-mail: zwcai@hkbu.edu.hk [State Key Laboratory of Environmental and Biological Analysis, Department of Chemistry, Hong Kong Baptist University, Hong Kong (China)

    2015-03-15

    Highlights: • A simple, robust and low-cost derivatization method was reported for ribonucleoside determination for the first time. • Improvement of separation and enhancement of sensitivity were achieved by using the derivatization approach. • Isotope labeling method with acetone-d{sub 6} and multivariate statistical analysis facilitated ribonucleoside identification. • Application of the method enabled the positive identification of 56 ribonucleosides. - Abstract: Ribonucleosides are the end products of RNA metabolism. These metabolites, especially the modified ribonucleosides, have been extensively evaluated as cancer-related biomarkers. However, the determination of urinary ribonucleosides is still a challenge due to their low abundance, high polarity and serious matrix interferences in urine samples. In this study, a derivatization method based on a chemical reaction between ribonucleosides and acetone to form acetonides was developed for the determination of urinary ribonucleosides. The derivative products, acetonides, were detected by using liquid chromatography–tandem mass spectrometry (LC–MS/MS). The methodological evaluation was performed by quantifying four nucleosides for linear range, average recovery, precision, accuracy and stability. The validated procedures were applied to screen modified ribonucleosides in urine samples. Improvement of separation and enhancement of sensitivity were obtained in the analysis. To identify ribonucleosides, inexpensive isotope labeling acetone (acetone-d{sub 6}) and label-free acetone were applied to form ordinary and deuterated acetonides, respectively. The two groups of samples were separated with orthogonal partial least squares (OPLS). The ordinary and deuterated pairs of acetonides were symmetrically distributed in the S-plot for easy and visual signal identification. After structural confirmation, a total of 56 ribonucleosides were detected, 52 of which were modified ribonucleosides. The application

  14. Generalized Linear Models to Identify Key Hydromorphological and Chemical Variables Determining the Occurrence of Macroinvertebrates in the Guayas River Basin (Ecuador

    Directory of Open Access Journals (Sweden)

    Minar Naomi Damanik-Ambarita

    2016-07-01

    Full Text Available The biotic integrity of the Guayas River basin in Ecuador is at environmental risk due to extensive anthropogenic activities. We investigated the potential impacts of hydromorphological and chemical variables on biotic integrity using macroinvertebrate-based bioassessments. The bioassessment methods utilized included the Biological Monitoring Working Party adapted for Colombia (BMWP-Col and the average score per taxon (ASPT, via an extensive sampling campaign that was completed throughout the river basin at 120 sampling sites. The BMWP-Col classification ranged from very bad to good, and from probable severe pollution to clean water based on the ASPT scores. Generalized linear models (GLMs and sensitivity analysis were used to relate the bioassessment index to hydromorphological and chemical variables. It was found that elevation, nitrate-N, sediment angularity, logs, presence of macrophytes, flow velocity, turbidity, bank shape, land use and chlorophyll were the key environmental variables affecting the BMWP-Col. From the analyses, it was observed that the rivers at the upstream higher elevations of the river basin were in better condition compared to lowland systems and that a higher flow velocity was linked to a better BMWP-Col score. The nitrate concentrations were very low in the entire river basin and did not relate to a negative impact on the macroinvertebrate communities. Although the results of the models provided insights into the ecosystem, cross fold model development and validation also showed that there was a level of uncertainty in the outcomes. However, the results of the models and sensitivity analysis can support water management actions to determine and focus on alterable variables, such as the land use at different elevations, monitoring of nitrate and chlorophyll concentrations, macrophyte presence, sediment transport and bank stability.

  15. Spectrofluorimetric determination of stoichiometry and association constants of the complexes of harmane and harmine with beta-cyclodextrin and chemically modified beta-cyclodextrins.

    Science.gov (United States)

    Martín, L; León, A; Olives, A I; Del Castillo, B; Martín, M A

    2003-06-13

    The association characteristics of the inclusion complexes of the beta-carboline alkaloids harmane and harmine with beta-cyclodextrin (beta-CD) and chemically modified beta-cyclodextrins such as hydroxypropyl-beta-cyclodextrin (HPbeta-CD), 2,3-di-O-methyl-beta-cyclodextrin (DMbeta-CD) and 2,3,6-tri-O-methyl-beta-cyclodextrin (TMbeta-CD) are described. The association constants vary from 112 for harmine/DMbeta-CD to 418 for harmane/HPbeta-CD. The magnitude of the interactions between the host and the guest molecules depends on the chemical and geometrical characteristics of the guest molecules and therefore the association constants vary for the different cyclodextrin complexes. The steric hindrance is higher in the case of harmine due to the presence of methoxy group on the beta-carboline ring. The association obtained for the harmane complexes is stronger than the one observed for harmine complexes except in the case of harmine/TMbeta-CD. Important differences in the association constants were observed depending on the experimental variable used in the calculations (absolute value of fluorescence intensity or the ratio between the fluorescence intensities corresponding to the neutral and cationic forms). When fluorescence intensity values were considered, the association constants were higher than when the ratio of the emission intensity for the cationic and neutral species was used. These differences are a consequence of the co-existence of acid-base equilibria in the ground and in excited states together with the complexation equilibria. The existence of a proton transfer reaction in the excited states of harmane or harmine implies the need for the experimental dialysis procedure for separation of the complexes from free harmane or harmine. Such methodology allows quantitative results for stoichiometry determinations to be obtained, which show the existence of both 1:1 and 1:2 beta-carboline alkaloid:CD complexes with different solubility properties.

  16. Correlations in the chemical composition of rural background atmospheric aerosol in the UK determined in real time using time-of-flight mass spectrometry.

    Science.gov (United States)

    Beddows, David C S; Donovan, Robert J; Harrison, Roy M; Heal, Mathew R; Kinnersley, Robert P; King, Martin D; Nicholson, David H; Thompson, Katherine C

    2004-02-01

    An aerosol time-of-flight mass spectrometer (ATOFMS) was used to determine, in real time, the size and chemical composition of individual particles in the atmosphere at the remote inland site of Eskdalemuir, Scotland. A total of 51,980 particles, in the size range 0.3-7.4 microm, were detected between the 25th and 30th June 2001. Rapid changes in the number density, size and chemical composition of the atmospheric aerosol were observed. These changes are attributed to two distinct types of air mass; a polluted air mass that had passed over the British mainland before reaching Eskdalemuir, interposed between two cleaner air masses that had arrived directly from the sea. Such changes in the background aerosol could clearly be very important to studies of urban aerosols and attempts at source apportionment. The results of an objective method of data analysis are presented. Correlations were sought between the occurrence of: lithium, potassium, rubidium, caesium, beryllium, strontium, barium, ammonium, amines, nitrate, nitrite, boron, mercury, sulfate, phosphate, fluorine, chlorine, bromine, iodine and carbon (both elemental and organic hydrocarbon) in both fine (d 2.5 microm) particle fractions. Several previously unreported correlations were observed, for instance between the elements lithium, beryllium and boron. The results suggest that about 2 in 3 of all fine particles (by number rather than by mass), and 1 in 2 of all coarse particles containing carbon, consisted of elemental carbon rather than organic hydrocarbon (although a bias in the sensitivity of the ATOFMS could have affected these numbers). The ratio of the number of coarse particles containing nitrate anions to the number of particles containing chloride anions exceeded unity when the air mass had travelled over the British mainland. The analysis also illustrates that an air mass of marine origin that had travelled slowly over agricultural land can accumulate amines and ammonium.

  17. 仙人掌超微粉挥发性成分研究%Determination of Chemical Constituents of the Volatile Oil from Opuntia dillenii (Ker-Gaw.) Haw

    Institute of Scientific and Technical Information of China (English)

    汪凯莎; 丁丽娜; 刘建华; 高玉琼; 安立群; 廖川

    2009-01-01

    目的:研究仙人掌中的挥发性成分.方法:利用水蒸气蒸馏法提取经超微粉碎后的仙人掌[Opuntia dillenii (Ker-Gaw.)Haw]挥发油,用GC-MS进行测定,结合计算机检索技术对分离的化合物进行结构鉴定,应用色谱峰面积归一化法计算各成分的相对百分含量.结果:共分离鉴定出32个化学成分,占总成分的98.097%,其中相对百分含量大于2%的分别确定为异丁基邻苯二甲酸酯(Isobutyl phthalate)27.492%,棕榈酸(Palmific acid)16.716%,丁基邻苯二甲酸酯(Butyl phthahte)11.257%,薄荷脑(Menthol)6.722%,亚油酸(Linoleic acid)5.995%,壬醛(Nonanal)4.594%,乙醛(Hexanal)3.614%,十二酸(Dodecanic acid)3.244%.结论:通过对仙人掌超微粉挥发性成分的分析鉴定及相对含量测定,为综合利用仙人掌植物资源等提供科学依据.%Objective: To study the chemical constituents of the volatile oil from Opuntia dillenii(Ker-Gaw.) Haw.Method: The chemical compositions of the volatile oil of the plants which were obtained by steam distillation with hexane were analyzed by GC-MS.The constituents were identified by their mass spectra.The relative percentage of the oil constituents was calculated from the GC peak areas.Result: Thirteen-two kinds of chemical constituents in Opuntia dillenii(Ker-Gaw.) Haw were separated and characterized;which were representing 98.097% of the oil.Relative contents that were more than 2% were determined as Isobutyl phthalate 27.492%,Palmitic acid 16.716%,Butyl phthalate 11.257%,Menthol 6.722%,Linoleic acid 5.995%,Nonanal 4.594%,Hexanal 3.614%,Dodecanic acid 3.244%.Conclusion: The composition of volatile oils of micro-milling of Opuntia dillenii(Ker-Gaw.) Haw's comprehensive utilization to provide reference data.

  18. Determination of 13 endocrine disrupting chemicals in sediments by gas chromatography-mass spectrometry using subcritical water extraction coupled with dispersed liquid-liquid microextraction and derivatization.

    Science.gov (United States)

    Yuan, Ke; Kang, Haining; Yue, Zhenfeng; Yang, Lihua; Lin, Li; Wang, Xiaowei; Luan, Tiangang

    2015-03-25

    In this study, a sample pretreatment method was developed for the determination of 13 endocrine disrupting chemicals (EDCs) in sediment samples based on the combination of subcritical water extraction (SWE) and dispersed liquid-liquid microextraction (DLLME). The subcritical water that provided by accelerated solvent extractor (ASE) was the sample solution (water) for the following DLLME and the soluble organic modifier that spiked in the subcritical water was also used as the disperser solvent for DLLME in succession. Thus, several important parameters that affected both SWE and DLLME were investigated, such as the extraction solvent for DLLME (chlorobenzene), extraction time for DLLME (30s), selection of organic modifier for SWE (acetone), volume of organic modifier (10%) and extraction temperature for SWE (150 °C). In addition, good chromatographic behavior was achieved for GC-MS after derivatisation by using N,O-bis(trimethylsilyl) trifluoroacetamide (BSTFA). As a result, proposed method sensitive and reliable with the limits of detection (LODs) ranging from 0.006 ng g(-1) (BPA) to 0.639 ng g(-1) (19-norethisterone) and the relative standard deviations (RSDs) between 1.5% (E2) and 15.0% (DES). Moreover, the proposed method was compared with direct ASE extraction that reported previously, and the results showed that SWE-DLLME was more promising with recoveries ranging from 42.3% (dienestrol) to 131.3% (4,5α-dihydrotestosterone), except for diethylstilbestrol (15.0%) and nonylphenols (29.8%). The proposed method was then successfully applied to determine 13 EDCs sediment of Humen outlet of the Pearl River, 12 of target compounds could be detected, and 10 could be quantitative analysis with the total concentration being 39.6 ng g(-1), and which indicated that the sediment of Humen outlet was heavily contaminated by EDCs.

  19. High performance liquid chromatography coupled with atmospheric pressure chemical ionization mass spectrometry for sensitive determination of bioactive amines in donkey milk.

    Science.gov (United States)

    La Torre, Giovanna Loredana; Saitta, Marcello; Giorgia Potortì, Angela; Di Bella, Giuseppa; Dugo, Giacomo

    2010-08-06

    In the present study we report on the optimization and validation of a sensitive high performance liquid chromatography atmospheric pressure chemical ionization mass spectrometry (HPLC-APCI-MS) method for the determination of 8 bioactive amines (histamine, tyramine, tryptamine, 2-phenylethylamine, cadaverine, putrescine, spermidine and spermine) in donkey milk samples. The method involves donkey milk pre-treatment to remove proteins and pre-column dansylation of the amines. HPLC in reversed phase mode has been used for bioactive amines