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Sample records for iodine adsorption dissociation

  1. Combined DFT and XPS investigation of iodine anions adsorption on the sulfur terminated (001) chalcopyrite surface

    Energy Technology Data Exchange (ETDEWEB)

    Li, Kui, E-mail: likui9606@stu.xjtu.edu.cn [School of Nuclear Science and Technology, Xi’an Jiaotong University, Xi’an 710049 (China); Zhao, Yaolin, E-mail: zhaoyaolin@mail.xjtu.edu.cn [School of Nuclear Science and Technology, Xi’an Jiaotong University, Xi’an 710049 (China); Zhang, Peng, E-mail: zp32@qq.com [Sino Shaanxi Nuclear Industry Group, Xi’an 710100 (China); He, Chaohui, E-mail: hechaohui@mail.xjtu.edu.cn [School of Nuclear Science and Technology, Xi’an Jiaotong University, Xi’an 710049 (China); Deng, Jia, E-mail: djkokocase@stu.xjtu.edu.cn [School of Nuclear Science and Technology, Xi’an Jiaotong University, Xi’an 710049 (China); Ding, Shujiang, E-mail: dingsj@mail.xjtu.edu.cn [Department of Applied Chemistry, School of Science, Xi’an Jiaotong University, Xi’an 710049 (China); Shi, Weiqun, E-mail: shiwq@ihep.ac.cn [Key Laboratory of Nuclear Radiation and Nuclear Energy Technology and Key Laboratory for Biomedical Effects of Nanomaterials and Nanosafety, Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049 (China)

    2016-12-30

    Highlights: • Metal surface sites of (001)-S surface of chalcopyrite show significant chemical affinity to iodide and iodate. • The energetically favorable active site is copper for iodide adsorption and iron for iodate adsorption, respectively. • Iodate undergoes a dissociative adsorption on the copper site of chalcopyrite surface. - Abstract: The adsorption of iodine anions (iodide and iodate) on the sulfur terminated (001) chalcopyrite surface has been systematically investigated combining first-principles calculations based on density functional theory (DFT) with X-ray photoelectron spectroscopy (XPS) measurements. Based on the total energy calculations and geometric optimization, the thermodynamically preferred site was copper atom for iodide adsorption and iron atom for iodate adsorption, respectively. In the case of Cu site mode, the iodate underwent a dissociative adsorption, where one I−O bond of iodate ion was broken and the dissociative oxygen atom adsorbed on the adjacent sulphur site. Projected density of states (PDOS) analysis further clarified the interaction mechanism between active sites of chalcopyrite surface and adsorbates. In addition, full-range XPS spectra qualitatively revealed the presence of iodine on chalcopyrite surface. High resolution XPS spectra of the I 3d peaks after adsorption verified the chemical environment of iodine. The binding energies of 618.8 eV and 623.5 eV for I 3d{sub 5/2} peaks unveiled that the adsorption of iodide and iodate ions on copper-iron sulfide minerals was the result of formation of low solubility metal iodides precipitate. Also two I 3d peaks with low intensity around 618 eV and 630 eV might be related to the inorganic reduction of iodate to iodide by reducing S{sup 2−} ion of chalcopyrite.

  2. Dissociation of molecular iodine in RF discharge for oxygen-iodine laser

    Czech Academy of Sciences Publication Activity Database

    Jirásek, Vít; Schmiedberger, Josef; Čenský, Miroslav; Kodymová, Jarmila

    2012-01-01

    Roč. 66, č. 4 (2012), 1-6 ISSN 1434-6060 R&D Projects: GA ČR GA202/09/0310 Grant - others:European Office for Aerospace R&D(XE) FA8655-09-1-3092 Institutional research plan: CEZ:AV0Z10100523 Keywords : molecular iodine * RF discharge * dissociation * oxygen-iodine laser * COIL Subject RIV: BH - Optics, Masers, Lasers Impact factor: 1.513, year: 2012

  3. Dissociation kinetics of iodine in oxygen-containing electrical discharge plasmas

    International Nuclear Information System (INIS)

    Zakharov, A.I.; Klopovskii, K.S.; Rakhimova, T.V.; Samorodov, V.A.

    1993-01-01

    Studies of the kinetics of gaseous media containing oxygen and iodine molecules have been stimulated to a substantial degree by the search for ways of improving iodine-oxygen lasers and by the need for information on loss processes for atmospheric ozone. Results are presented from an experimental study and numerical simulations of the kinetics of the dissociation of iodine in self-sustained volume discharges in high-pressure O 2 :Ar:I 2 mixtures. It is shown that the well-studied mechanism for dissociation based on excitation of iodine molecules in successive collisions with singlet oxygen and excited iodine atoms is supplanted by a substantially different mechanism involving the creation and loss of 10 radicals when the densities of atomic oxygen and ozone are high enough. It is also shown that iodine fractions as low as ∼10 -3 in the mixture lead to rapid loss of ozone molecules while less than 18% of the discharge energy is expended in the production of singlet oxygen

  4. Study on adsorption performance of coal based activated carbon to radioactive iodine and stable iodine

    International Nuclear Information System (INIS)

    Zhou, Junbo; Hao, Shan; Gao, Liping; Zhang, Youchen

    2014-01-01

    Highlights: • The impregnated coal-based activated carbons as adsorbent for removing methyl iodide. • The coal-based activated carbons to remove stable iodine. • Iodine residues are under 0.5 μg/ml after adsorption treatment. • The decontamination factor is much higher than 1000. - Abstract: Nuclear power plant, nuclear reactors and nuclear powered ship exhaust contains a large amount of gaseous radioactive iodine, and can damage to the workplace and the surrounding environment. The quantitative test to remove methyl iodide and the qualitative test for removing stable iodine were investigated using the impregnated coal-based activated carbons and coal-based activated carbons as adsorbents. The research conducted in this work shows that iodine residues were under 0.5 μg/ml after adsorption treatment and the decontamination factor of the coal-based activated carbon for removing the stable iodine was more than 1000, which can achieve the purpose of removing harmful iodine, and satisfy the requirement of gaseous waste treatment of nuclear powered vessel and other nuclear plants

  5. X-ray photoelectron and Auger electron spectroscopic study of the adsorption of molecular iodine on uranium metal and uranium dioxide

    International Nuclear Information System (INIS)

    Dillard, J.G.; Moers, H.; Klewe-Nebenius, H.; Kirch, G.; Pfennig, G.; Ache, H.J.

    1984-01-01

    The adsorption of molecular iodine on uranium metal and on uranium dioxide has been investigated at 25 0 C. Clean surfaces were prepared in an ultrahigh vacuum apparatus and were characterized by X-ray photoelectron (XPS) and X-ray and electron-induced Auger electron spectroscopies (AES). Adsorption of I 2 was studied for exposures up to 100 langmuirs (1 langmuir = 10 -6 torr s) on uranium metal and to 75 langmuirs on uranium dioxide. Above about 2-langmuir I 2 exposure on uranium, spectroscopic evidence is obtained to indicate the beginning of UI 3 formation. Saturation coverage for I 2 adsorption on uranium dioxide occurs at approximately 10-15 langmuirs. Analysis of the XPS and AES results as well as studies of spectra as a function of temperature lead to the conclusions that a dissociative chemisorption/reaction process occurs on uranium metal while nondissociative adsorption occurs on uranium dioxide. Variations in the iodine Auger kinetic energy and in the Auger parameter are interpreted in light of extra-atomic relaxation processes. 42 references, 10 figures, 1 table

  6. Design of sample analysis device for iodine adsorption efficiency test in NPPs

    International Nuclear Information System (INIS)

    Ji Jinnan

    2015-01-01

    In nuclear power plants, iodine adsorption efficiency test is used to check the iodine adsorption efficiency of the iodine adsorber. The iodine adsorption efficiency can be calculated through the analysis of the test sample, and thus to determine if the performance of the adsorber meets the requirement on the equipment operation and emission. Considering the process of test and actual demand, in this paper, a special device for the analysis of this kind of test sample is designed. The application shows that the device is with convenient operation and high reliability and accurate calculation, and improves the experiment efficiency and reduces the experiment risk. (author)

  7. Iodine Adsorption by Ag-Aerogel under Prototypical Vessel Off-Gas Conditions

    Energy Technology Data Exchange (ETDEWEB)

    Bruffey, Stephanie H. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Jubin, Robert Thomas [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2016-08-01

    U.S. regulations will require the removal of 129I from the off-gas streams of any used nuclear fuel (UNF) reprocessing plant prior to discharge of the off-gas to the environment. The required plant decontamination factor for iodine will vary based on fuel burnup, cooling time, and other factors but is very likely to be >1000 and could be as high as 8000. Multiple off-gas streams within a UNF reprocessing plant combine prior to environmental release, and each of these streams contains some amount of iodine. To achieve the decontamination factors (DFs) that are likely to be required by regulations, iodine removal from the vessel off-gas will be necessary. The vessel off-gas contains iodine at very dilute concentrations (ppb levels), and will also contain water vapor. Iodine species present are likely to include both elemental and organic iodides. There will also be solvent vapors and volatile radiolysis products. The United States has considered the use of silver-based sorbents for removal of iodine from UNF off-gas streams, but little is known about the behavior of those sorbents at very dilute iodine concentrations. The purpose of this study was to expose silver-functionalized silica aerogel (AgAerogel) to a prototypical vessel off-gas stream containing 40 ppb methyl iodide to obtain information about organic iodine capture by silver-sorbents at very low iodine concentrations. The design of this extended duration testing was such that information about the rate of adsorption, the penetration of the iodine species, and the overall system DF could be obtained. Results show that CH3I penetrates into a AgAerogel sorbent bed to a depth of 3.9 cm under prototypical vessel off-gas conditions. An iodine loading of 22 mg I/g AgAerogel was observed in the first 0.3 cm of the bed. Of the iodine delivered to the system, 48% could not be accounted for, and future efforts will investigate this concern. Direct calculation of the decontamination factor is not

  8. Studies of iodine adsorption and desorption on HTGR coolant circuit materials

    International Nuclear Information System (INIS)

    Osborne, M.F.; Compere, E.L.; de Nordwall, H.J.

    1976-04-01

    Safety studies of the HTGR system indicate that radioactive iodine, released from the fuel to the helium coolant, may pose a problem of concern if no attenuation of the amount of iodine released occurs in the coolant circuit. Since information on iodine behavior in this system was incomplete, iodine adsorption on HTGR materials was studied in vacuum as a function of iodine pressure and of adsorber temperature. Iodine coverages on Fe 3 O 4 and Cr 2 O 3 approached maxima of about 2 x 10 14 and 1 x 10 14 atoms/cm 2 , respectively, whereas the iodine coverage on graphite under similar conditions was found to be less by a factor of about 100. Iodine desorption from the same materials into vacuum or flowing helium was investigated, on a limited basis, as a function of iodine coverage, of adsorber temperature, and of dry vs wet helium. The rate of vacuum desorption from Fe 3 O 4 was related to the spectrum of energies of the adsorption sites. A small amount of water vapor in the helium enhanced desorption from iron powder but appeared to have less effect on desorption from the metal oxides

  9. Adsorption of iodine and cesium onto some cement materials

    Energy Technology Data Exchange (ETDEWEB)

    Mine, Tatsuya [Mitsui Shipbuilding and Engineering Co. Ltd., Tokyo (Japan); Mihara, Morihiro; Ito, Masaru [Power Reactor and Nuclear Fuel Development Corp., Tokai, Ibaraki (Japan). Tokai Works; Kato, Hiroshige [IDC, Tokai, Ibaraki (Japan)

    1997-06-01

    Cement materials, being expected to be used in structural materials in underground disposals of radioactive wastes, may adsorb nuclides resulting in retardation of their migration in environment. In this report adsorption behaviors of cement pastes toward iodine (as anion) and cesium (as cation) were studied. Adsorption of iodine was remarkable for OPC and MHP pastes that are known to have high molar ratio CaO/SiO{sub 2}, partition coefficient being 100 ml/g for initial tracer concentration of 10{sup -5} mol/l. Partition coefficient for cesium for PFA paste was found to be 5 ml/g on average. (S. Ohno)

  10. Adsorption of iodine and cesium onto some cement materials

    International Nuclear Information System (INIS)

    Mine, Tatsuya; Mihara, Morihiro; Ito, Masaru

    1997-06-01

    Cement materials, being expected to be used in structural materials in underground disposals of radioactive wastes, may adsorb nuclides resulting in retardation of their migration in environment. In this report adsorption behaviors of cement pastes toward iodine (as anion) and cesium (as cation) were studied. Adsorption of iodine was remarkable for OPC and MHP pastes that are known to have high molar ratio CaO/SiO 2 , partition coefficient being 100 ml/g for initial tracer concentration of 10 -5 mol/l. Partition coefficient for cesium for PFA paste was found to be 5 ml/g on average. (S. Ohno)

  11. Study of adsorption properties of impregnated charcoal for airborne iodine and methyl iodide

    International Nuclear Information System (INIS)

    Qi-dong, L.; Sui-yuang, H.

    1985-01-01

    The adsorption characteristics of airborne radioiodine and methyl iodide on impregnated charcoal were investigated. The activated charcoal tested was made from home-made oil-palm shells, and KI and TEDA were used as impregnants. A new technique was used to plot the dynamic partial adsorption isotherm at challenge concentrations (concentration range of iodine: 1-20 ppm v/v). Some adsorption properties of the impregnated charcoal were estimated with the dynamic partial adsorption isotherm. The dependences of the adsorption capacity and penetration behavior for airborne iodine and methyl iodide on the ambient conditions (temperature, relative humidity, and superficial velocity) were studied

  12. Automatic Method for Controlling the Iodine Adsorption Number in Carbon Black Oil Furnaces

    Directory of Open Access Journals (Sweden)

    Zečević, N.

    2008-12-01

    Full Text Available There are numerous of different inlet process factors in carbon black oil furnaces which must be continuously and automatically adjusted, due to stable quality of final product. The most important six inlet process factors in carbon black oil-furnaces are:1. volume flow of process air for combustion2. temperature of process air for combustion3. volume flow of natural gas for insurance the necessary heat for thermal reaction of conversionthe hydrocarbon oil feedstock in oil-furnace carbon black4. mass flow rate of hydrocarbon oil feedstock5. type and quantity of additive for adjustment the structure of oil-furnace carbon black6. quantity and position of the quench water for cooling the reaction of oil-furnace carbon black.The control of oil-furnace carbon black adsorption capacity is made with mass flow rate of hydrocarbon feedstock, which is the most important inlet process factor. Oil-furnace carbon black adsorption capacity in industrial process is determined with laboratory analyze of iodine adsorption number. It is shown continuously and automatically method for controlling iodine adsorption number in carbon black oil-furnaces to get as much as possible efficient control of adsorption capacity. In the proposed method it can be seen the correlation between qualitatively-quantitatively composition of the process tail gasses in the production of oil-furnace carbon black and relationship between air for combustion and hydrocarbon feedstock. It is shown that the ratio between air for combustion and hydrocarbon oil feedstock is depended of adsorption capacity summarized by iodine adsorption number, regarding to BMCI index of hydrocarbon oil feedstock.The mentioned correlation can be seen through the figures from 1. to 4. From the whole composition of the process tail gasses the best correlation for continuously and automatically control of iodine adsorption number is show the volume fraction of methane. The volume fraction of methane in the

  13. Modification of the properties of porous silicon on adsorption of iodine molecules

    International Nuclear Information System (INIS)

    Vorontsov, A. S.; Osminkina, L. A.; Tkachenko, A. E.; Konstantinova, E. A.; Elenskii, V. G.; Timoshenko, V. Yu.; Kashkarov, P. K.

    2007-01-01

    Infrared spectroscopy and electron spin resonance measurements are used to study the properties of porous silicon layers on adsorption of the I 2 iodine molecules. The layers are formed on the p-an n-Si single-crystal wafers. It is established that, in the atmosphere of I 2 molecules, the charge-carrier concentration in the layers produced on the p-type wafers can be noticeably increased: the concentration of holes can attain values on the order of ∼10 18 -10 19 cm -3 . In porous silicon layers formed on the n-type wafers, the adsorption-induced inversion of the type of charge carriers and the partial substitution of silicon-hydrogen bonds by silicon-iodine bonds are observed. A decrease in the concentration of surface paramagnetic defects, P b centers, is observed in the samples with adsorbed iodine. The experimental data are interpreted in the context of the model in which it is assumed that both deep and shallow acceptor states are formed at the surface of silicon nanocrystals upon the adsorption of I 2 molecules

  14. A density functional study on adsorption and dissociation of O 2 on Ir(1 0 0) surface

    Science.gov (United States)

    Erikat, I. A.; Hamad, B. A.; Khalifeh, J. M.

    2011-06-01

    The adsorption and the reaction barrier for the dissociation of O 2 on Ir(1 0 0) surface are studied using periodic self-consistent density functional theory (DFT) calculations. Dissociative adsorption is found to be energetically more favorable compared to molecular adsorption. Parallel approaches Prl1 and Prl2 on a hollow site with the same adsorption energy of -3.93 eV for both of them are found to have the most energetically preferred sites of adsorptions among all the studied cases. Hybridization between p-O 2 and d-metal orbitals is responsible for the dissociative adsorption. The minimum energy path is determined by using the nudge elastic band method (NEB). We found that the dissociation occurs immediately and very early in the dissociation path with a small activation barrier (0.26 eV), which means that molecular adsorption of O 2 on Ir(1 0 0) surface occurs at very low temperatures; this is consistent with previous experimental and theoretical studies on Ir surfaces.

  15. CO adsorption and dissociation on Pt(111) and Ni(111) surfaces

    DEFF Research Database (Denmark)

    Morikawa, Y.; Mortensen, Jens Jørgen; Hammer, Bjørk

    1997-01-01

    CO adsorption and dissociation processes have been studied using first-principles total energy and force calculations. The adsorption energies, atomic structures and vibrational modes of molecularly chemisorbed states are well reproduced in the present calculations. We have examined several...

  16. Adsorption and dissociation of dinitrogen on transition metal (Ta, W and Re) doped MgO surface

    KAUST Repository

    Yadav, Manoj Kumar

    2016-06-16

    The adsorption and dissociation of dinitrogen on transition metal (Ta, W and Re) doped MgO(100) surface has been studied employing density functional theory. It is found that all these transition metals (TM) on MgO(100) surface are capable of adsorbing dinitrogen (N2), however there is no dissociative adsorption of N2 on single transition metal dopant. When two TM atoms are doped on MgO(100) surface, dissociative adsorption of dinitrogen occurs in all the three cases. Whether the dissociation is spontaneous or is it associated with activation barrier depends on the orientation of N2 molecule approaching the dopant site.

  17. First-principles study of H2 adsorption and dissociation on Zr(0 0 0 1)

    International Nuclear Information System (INIS)

    Zhang Peng; Wang Shuangxi; Zhao Jian; He Chaohui; Zhang Ping

    2011-01-01

    Highlights: → The stability of the equilibrium adsorption states is determined after the geometry optimization. → The origin of the stable chemisorbed state is analyzed by the electronic structure and charge redistribution calculation. → The dissociation energetics of H2 are investigated in details by the PES and CINEB calculation. - Abstract: The adsorption and dissociation of H 2 molecules on the Zr(0 0 0 1) surface are systematically investigated by using density functional theory within the generalized gradient approximation and a supercell approach. After geometry optimization, the most stable equilibrium adsorption state is found to be along the top-y entrance. By calculating the adiabatic potential energy surface, the chemisorbed molecular adsorption states are also identified to be along the parallel channel at the top site. The electronic properties of the stable chemisorbed molecular state are analyzed, which show that the interaction between the molecule and substrate is of covalent characteristic with a sizeable charge redistribution. On the other hand, the hcp site is turned out to be the most stable equilibrium adsorption site for hydrogen atom on Zr(0 0 0 1) surface after the dissociation of H 2 . The dissociation energetics of H 2 are studied by calculating the potential energy surface and the minimum energy path of the transition state is determined by using the climb image nudged elastic band method, wherein the fcc-y channel is found to be most stable and favorable for dissociative adsorption of H 2 among the five possible dissociative paths. Remarkably, we find that the adiabatic dissociation process of H 2 is an activated type but with a small energy barrier, which is well consistent with the macroscopic phenomenon that the zirconium metal is easily hydrogenated.

  18. Organic Iodine Adsorption by AgZ under Prototypical Vessel Off-Gas Conditions

    International Nuclear Information System (INIS)

    Bruffey, Stephanie H.; Jubin, Robert Thomas; Jordan, J. A.

    2016-01-01

    U.S. regulations will require the removal of 129 I from the off-gas streams of any used nuclear fuel (UNF) reprocessing plant prior to discharge of the off-gas to the environment. Multiple off-gas streams within a UNF reprocessing plant combine prior to release, and each of these streams contains some amount of iodine. For an aqueous UNF reprocessing plant, these streams include the dissolver off-gas, the cell off-gas, the vessel off-gas (VOG), the waste off-gas and the shear off-gas. To achieve regulatory compliance, treatment of multiple off-gas streams within the plant must be performed. Preliminary studies have been completed on the adsorption of I 2 onto silver mordenite (AgZ) from prototypical VOG streams. The study reported that AgZ did adsorb I 2 from a prototypical VOG stream, but process upsets resulted in an uneven feed stream concentration. The experiments described in this document both improve the characterization of I 2 adsorption by AgZ from dilute gas streams and further extend it to include characterization of the adsorption of organic iodides (in the form of CH 3 I) onto AgZ under prototypical VOG conditions. The design of this extended duration testing was such that information about the rate of adsorption, the penetration of the iodine species, and the effect of sorbent aging on iodine removal in VOG conditions could be inferred.

  19. Organic Iodine Adsorption by AgZ under Prototypical Vessel Off-Gas Conditions

    Energy Technology Data Exchange (ETDEWEB)

    Bruffey, Stephanie H. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Jubin, Robert Thomas [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Jordan, J. A. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2016-09-30

    U.S. regulations will require the removal of 129I from the off-gas streams of any used nuclear fuel (UNF) reprocessing plant prior to discharge of the off-gas to the environment. Multiple off-gas streams within a UNF reprocessing plant combine prior to release, and each of these streams contains some amount of iodine. For an aqueous UNF reprocessing plant, these streams include the dissolver off-gas, the cell off-gas, the vessel off-gas (VOG), the waste off-gas and the shear off-gas. To achieve regulatory compliance, treatment of multiple off-gas streams within the plant must be performed. Preliminary studies have been completed on the adsorption of I2 onto silver mordenite (AgZ) from prototypical VOG streams. The study reported that AgZ did adsorb I2 from a prototypical VOG stream, but process upsets resulted in an uneven feed stream concentration. The experiments described in this document both improve the characterization of I2 adsorption by AgZ from dilute gas streams and further extend it to include characterization of the adsorption of organic iodides (in the form of CH3I) onto AgZ under prototypical VOG conditions. The design of this extended duration testing was such that information about the rate of adsorption, the penetration of the iodine species, and the effect of sorbent aging on iodine removal in VOG conditions could be inferred.

  20. Comparison of iodine, krypton, and xenon retention efficiencies for various silver loaded adsorption media

    International Nuclear Information System (INIS)

    Huchton, R.L.; Tkachyk, J.W.; Taylor, J.T.; Motes, B.G.

    1985-03-01

    A comparison was made among various silver impregnated adsorption media to determine their iodine, krypton, and xenon retention efficiencies. The program consisted of three components. First, laboratory measurements of the noble gas retention efficiencies of commercially available adsorption media were determined as a function of relative humidity, sample duration, test cartridge geometry, and ambient air purge. Second, a literature survey was performed to evaluate the iodine species retention efficiencies of the selected media. Third, data associated with a media previously proposed for an emergency response air sampler were incorporated to enlarge the data base. 41 refs., 6 figs., 14 tabs

  1. Adsorption modes of molecular iodine on defected boron nitrides: A DFT study

    Science.gov (United States)

    Arabieh, Masoud; Azar, Yavar Taghipour

    2018-03-01

    The interaction of molecular iodine with pristine and monovacant boron-nitride quantum dots (QDs) have been investigated using density functional theory. It was found that removing one B or N single atom significantly decreased the calculated Eg values at various exchange functional. In B-defected BN system, the localized spin densities canceled each other and overall polarization of system was found to be equal to unity. For N-defected system there was smaller spin densities localized on each closest B atoms. Both B- and N-vacancies caused appearance of new states in gap region. Our calculation revealed that spin density and polarization of defected system are localized on vacancy region and other atoms did not take part in this polarization. The results of electron localization function for N-DBN showed there was high density region at the position of removed nitrogen atom. The calculated adsorption energies implied that there was no significant chemical interaction between iodine molecule and pristine BN sheet. We suggested that when a deficiency was imposed to the BN sheet, the reactivity of the modified system toward iodine molecule significantly could increase. We found strong interaction between iodine and nitrogen atoms of B-DBN system. In the case of I2/N-DBN system the neighbor atoms had no contribution in spin polarization of the system and it seemed that all spin density of system transferred to the iodine molecule after adsorption. Strong correlation between molecular iodine orientation and BN-QDs via their interactions type has been clarified in this work. These findings may provide a deeper insight into halogen molecules interactions with low dimensional defected boron nitrides.

  2. Protein aggregation and degradation during iodine labeling and its consequences for protein adsorption to biomaterials

    DEFF Research Database (Denmark)

    Holmberg, Maria; Jensen, Karin Bagger Stibius; Ndoni, Sokol

    2007-01-01

    Protein adsorption on modified and unmodified polymer surfaces investigated through radiolabeling experiments showed a tendency for higher than expected albumin and immunoglobulin G (IgG) adsorption. Possible enhanced protein aggregation and degradation caused by the iodine labeling method used w...

  3. Calorimetric study at different temperatures of iodine adsorption from organic solutions on outgassed 'eta' alumina and bayerite

    International Nuclear Information System (INIS)

    Della Gatta, G.; Stradella, L.; Venturello, G.

    1977-01-01

    The adsorption of iodine from solution in n-pentane at 27 0 C and in cyclohexane at 35 0 C and 50 0 C on eta-Al 2 O 3 and bayerite outgassed at R.T. has been studied with a calorimetric technique. The measurements were performed by means of a Calvet type calorimeter using a new cell conceived for the adsorption from solution. The integral molar energies of adsorption show, at low coverages, a very strong interaction of iodine with surface hydroxyl groups, possibly leading to charge-transfer complexes and reactions. A peculiar exothermic effect has been also evidenced before the monolayer completion, in correspondence with a 'step' on the adsorption isotherms. This result is interpreted in terms of cooperative adsorption implying the possible formation of surface clusters around the strongly absorbed molecules. On non-porous samples (bayerite) the adsorption temperature rise decrease the total amounts adsorbed. But on porous ones (eta-Al 2 O 3 ) the adsorption is increased. (orig./HK) [de

  4. Dynamics of production of iodine atoms by dissociation of iodides in a pulsed self-sustained discharge

    International Nuclear Information System (INIS)

    Vagin, Nikolai P; Kochetov, Igor' V; Napartovich, A P; Yuryshev, Nikolai N

    2013-01-01

    Absorption at the laser transition has been used for the first time to assess the evolution of concentration of iodine atoms in a pulsed self-sustained discharge in mixtures of iodides with a buffer gas such as molecular nitrogen and helium. Dynamics of the iodine atom production is studied by the method of absorption spectroscopy. The dissociation of C n F 2n+1 I and CnH 2n+1 I (n = 1, 2) iodides is investigated. The energy required to produce atomic iodine is evaluated. The experimental data obtained for CF 3 I are compared with the results of numerical simulations, their reasonable agreement being demonstrated. (active media)

  5. Adsorption of iodine from COIL waste gas on soaked coal-based activated carbon

    Science.gov (United States)

    Zhou, Junbo; Hao, Shan; Gao, Liping

    2014-04-01

    The chemical oxygen-iodine laser (COIL) has wide application prospects in military, industrial and medical treatment fields as a second generation gas chemical laser to follow the first HF/DF chemical laser. However, a COIL releases large amounts of gas, such as helium, oxygen, chlorine and iodine. Chlorides have a serious corrosive effect on the system, especially iodine vapor crystallization, which seriously endangers the normal use of vacuum systems, and radioactive methyl iodide, which is hazardous to operators and pollutes the environment. The use of soaked coal-based activated carbon as an adsorbent for removing methyl iodine is proposed, while it is proposed that coal-based activated carbon is an effective adsorbent for removing stable iodine. The research conducted in this work shows that iodine residues are less than 0.5 μg ml-1 after the adsorption treatment and the decontamination factor of the coal-based activated carbon for removing stable iodine is more than 1000. Using this method can achieve the purpose of removing harmful iodine, satisfy the requirements for engineering applications, and also be applied to other nuclear power plant flue gas treatments.

  6. Water adsorption and dissociation on Ni(110): How is it different from its close packed counterparts?

    Energy Technology Data Exchange (ETDEWEB)

    Seenivasan, H.; Tiwari, Ashwani K., E-mail: ashwani@iiserkol.ac.in [Indian Institute of Science Education and Research Kolkata, Mohanpur 741252 (India)

    2014-05-07

    Water adsorption and dissociation on Ni(110) surface is studied in detail and compared with its close packed counterparts using density functional theory calculations. Water adsorption occurs on the top site as found on Ni(100) and Ni(111) but the adsorption is stronger on Ni(110). H and OH preferably adsorb on the short bridge sites (brgshort) opposed to hollow sites on (100) and (111) surfaces. Energy barriers for water molecule dissociation on Ni(110) as obtained from the transition state (TS) calculations were low compared to other Ni low indexed surfaces. TS geometries at different positions of the lattice coordinate, Q, were obtained to study the effect of surface temperature on dissociation of H{sub 2}O molecules. These calculations revealed that second layer atoms were also involved in the TS. Dissociation probabilities are obtained using a semi-classical approximation by sampling Q for a Boltzmann distribution at different temperatures. Results showed that the increasing surface temperature significantly increases the dissociation probabilities at lower energies and saturates near the barrier for dissociation. Although the contribution from both top and second layers is similar at low surface temperatures, motion of top layer atoms contribute more towards dissociation probability at higher surface temperatures. Dissociation probabilities obtained are more than one order of magnitude higher than that on Ni(100) and Ni(111) surfaces suggesting Ni(110) to be more reactive among the low indexed Ni surfaces.

  7. Carbon disulfide (CS{sub 2}) adsorption and dissociation on the Cu(100) surface: A quantum chemical study

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Wenju, E-mail: wangwenju1982@163.com; Fan, Lili; Wang, Guoping, E-mail: wgp1976@163.com

    2017-08-31

    Highlights: • CS{sub 2}, CS, C and S are strongly chemadsorbed on the Cu(100) surface. • C/S/S, S/CS and CS{sub 2} accord to a decreased adsorption strength on the Cu(100). • The asymmetric model CS{sub 2}(II) is easier to dissociate on the Cu(100) surface. - Abstract: Density functional theory (DFT) is used to examine the adsorption and dissociation of CS{sub 2} on the Cu(100) surface. This study evaluates the adsorption energies and geometries of the species (CS{sub 2}, CS, C and S) adsorption on the Cu(100) surface, as well as that coadsorption of CS and a S atom, and that coadsorption of C atom and two S atoms. The results indicate that the species (CS{sub 2}, CS, C and S) are strongly chemadsorbed on the Cu(100) surface through the C−Cu and/or S−Cu bond with an increased adsorption energy (C/S/S > S/CS > CS{sub 2}). Two pathways for CS{sub 2} dissociation on the Cu(100) surface are constructed, and the energy barrier and reaction energy of each step are calculated. It shows that the dissociated energy barrier of the second C−S bond is 0.25 eV higher than that of the first C−S bond in the pathway 1, but in the pathway 2, the dissociated energy barrier of the second C−S bond is 0.11 eV lower than that of the first C−S bond. Comparing the highest dissociated energy barrier of pathway 1 (0.68 eV) and pathway 2 (0.5 eV), the structure of S/C/S(II) is regarded as a preferable product for the dissociation of CS{sub 2} on the Cu(100) surface.

  8. Density function theory study of the adsorption and dissociation of carbon monoxide on tungsten nanoparticles.

    Science.gov (United States)

    Weng, Meng-Hsiung; Ju, Shin-Pon; Chen, Hsin-Tsung; Chen, Hui-Lung; Lu, Jian-Ming; Lin, Ken-Huang; Lin, Jenn-Sen; Hsieh, Jin-Yuan; Yang, Hsi-Wen

    2013-02-01

    The adsorption and dissociation properties of carbon monoxide (CO) molecule on tungsten W(n) (n = 10-15) nanoparticles have been investigated by density-functional theory (DFT) calculations. The lowest-energy structures for W(n) (n = 10-15) nanoparticles are found by the basin-hopping method and big-bang method with the modified tight-binding many-body potential. We calculated the corresponding adsorption energies, C-O bond lengths and dissociation barriers for adsorption of CO on nanoparticles. The electronic properties of CO on nanoparticles are studied by the analysis of density of state and charge density. The characteristic of CO on W(n) nanoparticles are also compared with that of W bulk.

  9. Heterolytic dissociative adsorption state of dihydrogen favored by interfacial defects

    Science.gov (United States)

    Song, Zhenjun; Hu, Hanshi; Xu, Hu; Li, Yong; Cheng, Peng; Zhao, Bin

    2018-03-01

    The atomic-scale insight into dihydrogen on MgO(001) surface deposited on molybdenum substrate with interfacial defects was investigated in detail by employing density functional methods Here we report novel dissociative adsorption behaviors of single hydrogen molecule on the usually inert oxide surfaces, with consideration of two types of dissociation schemes. The heterolytic dissociation state -Mg(H)-O(H)- of dihydrogen is impossible to obtain on neighboring O-Mg sites of perfect bulk MgO(001) terraces. Unusually, the hydrogen molecule can form heterolytic fragmentation states on metal supported MgO(001) films with very low activation barrier (0.398 eV), and the heterolytic dissociation state is much more favorable than homolytic dissociation state both energetically and kinetically in all cases. Electronic properties and bonding attribution of adsorbates and the oxide-metal hybrid structure are revealed by analyzing density of states, differential charge densities, orbital interaction and electron localization function. The characteristic changes to the property and activity of magnesia (001) can have potential application in catalytic reactions.

  10. Size effect on the adsorption and dissociation of CO{sub 2} on Co nanoclusters

    Energy Technology Data Exchange (ETDEWEB)

    Yu, Haiyan; Cao, Dapeng; Fisher, Adrian [International Research Center for Soft Matter, State Key Laboratory of Organic-Inorganic Composites, Beijing University of Chemical Technology, Beijing 100029 (China); Johnston, Roy L. [School of Chemistry, University of Birmingham, Edgbaston, Birmingham, B15 2TT (United Kingdom); Cheng, Daojian, E-mail: chengdj@mail.buct.edu.cn [International Research Center for Soft Matter, State Key Laboratory of Organic-Inorganic Composites, Beijing University of Chemical Technology, Beijing 100029 (China)

    2017-02-28

    Highlights: • Co{sub 13}, Co{sub 38} and Co{sub 55} nanoclusters were predicted as the high-symmetry structures. • CO{sub 2} dissociation on the size-selected Co{sub 13}, Co{sub 38} and Co{sub 55} nanoclusters was studied. • Co{sub 55} nanocluster possesses the highest activity relevant to CO{sub 2} dissociation. • A non-monotonous behavior of the dissociation barrier of CO{sub 2} with the size was found. - Abstract: Spin-polarized density functional theory calculations were carried out to study the adsorption and dissociation properties of CO{sub 2} on size-selected Co{sub 13}, Co{sub 38} and Co{sub 55} nanoclusters. Based on genetic algorithm method, Co{sub 13}, Co{sub 38} and Co{sub 55} nanoclusters were predicted as the most stable high-symmetry structures among these Co{sub n} (n = 2–58) nanoclusters from the Gupta potential. For the adsorption of CO{sub 2}, CO and O on size-selected Co{sub 13}, Co{sub 38} and Co{sub 55} nanoclusters, the lowest adsorption strength is found for all the different adsorbates on Co{sub 55} nanocluster. For the dissociation of CO{sub 2} on these size-selected Co nanoclusters, the largest Co{sub 55} nanocluster possesses the greatest catalytic activity for the dissociation of CO{sub 2}, with the smallest reaction barrier of 0.38 eV. Our results reveal a non-monotonous behavior of the catalytic activities of Co nanoclusters on size, which is of fundamental interest for the design of new Co catalysts for the conversion of CO{sub 2}.

  11. Water Adsorption and Dissociation on Ceria-Supported Single-Atom Catalysts: A First-Principles DFT+U Investigation.

    Science.gov (United States)

    Han, Zhong-Kang; Gao, Yi

    2016-02-01

    Single-atom catalysts have attracted wide attention owing to their extremely high atom efficiency and activities. In this paper, we applied density functional theory with the inclusion of the on-site Coulomb interaction (DFT+U) to investigate water adsorption and dissociation on clean CeO 2 (111) surfaces and single transition metal atoms (STMAs) adsorbed on the CeO 2 (111) surface. It is found that the most stable water configuration is molecular adsorption on the clean CeO 2 (111) surface and dissociative adsorption on STMA/CeO 2 (111) surfaces, respectively. In addition, our results indicate that the more the electrons that transfer from STMA to the ceria substrate, the stronger the binding energies between the STMA and ceria surfaces. A linear relationship is identified between the water dissociation barriers and the d band centers of STMA, known as the generalized Brønsted-Evans-Polanyi principle. By combining the oxygen spillovers, single-atom dispersion stabilities, and water dissociation barriers, Zn, Cr, and V are identified as potential candidates for the future design of ceria-supported single-atom catalysts for reactions in which the dissociation of water plays an important role, such as the water-gas shift reaction. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Insights into the effect of coverage on CO adsorption and dissociation over Rh(1 0 0) surface: A theoretical study

    International Nuclear Information System (INIS)

    Zhao, Xiaojun; Zhang, Riguang; Ling, Lixia; Wang, Baojun

    2014-01-01

    Graphical abstract: - Highlights: • The adsorption energies gradually decrease with the increasing of CO coverage on Rh(1 0 0). • CO reaches the saturated adsorption with the coverage of 12/12 ML on Rh(1 0 0). • Both CO desorption and dissociation co-exist at the coverage less than or equal to 2/12 ML. • Only molecule CO adsorption is favored at the coverage greater than or equal to 3/12 ML. • Only molecule CO adsorption form exists in syngas conversion on Rh catalyst. - Abstract: The adsorption, dissociation and desorption of CO at different coverage over Rh(1 0 0) surface have been systematically investigated using density functional theory method together with the periodic slab model. Our results show that at the coverage less than or equal to 4/12 ML, CO favored the most stable bridge site adsorption, and the adsorption energies of CO have little difference; while at the coverage greater than or equal to 5/12 ML, the lateral repulsive interaction begins to affect the adsorption structures and the corresponding adsorption energies of adsorbed CO molecules, and the interaction will be stronger with the increasing of CO coverage, which leads to CO migration over Rh(1 0 0) surface when CO coverage is greater than or equal to 10/12 ML. The adsorption energies of these CO molecules will decrease successively until the saturated adsorption with the CO coverage of 12/12 ML. Further calculations on CO dissociation indicate that when CO coverage is greater than or equal to 3/12 ML, the dissociation of adsorbed CO molecules will be unfavorable both kinetically and thermodynamically, suggesting that only molecule CO adsorption are favored. Considering the catalytic activity of Rh(1 0 0) surface toward CO dissociation and the higher CO coverage under the continuous supply of CO in syngas conversion, it is to be expected that only molecule CO adsorption exist on Rh catalyst

  13. The adsorption and dissociation of water molecule on goethite (010) surface: A DFT approach

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Long, E-mail: shuweixia@ouc.edu.cn [Key Laboratory of Marine Chemistry Theory and Technology, Ministry of Education, Ocean University of China, College of Chemistry and Chemical Engineering (China); Xiu, Fangyuan [Key Laboratory of Marine Chemistry Theory and Technology, Ministry of Education, Ocean University of China, College of Chemistry and Chemical Engineering (China); Qiu, Meng [Qingdao Institute of Bioenergy and Bioprocess Technology (China); Xia, Shuwei; Yu, Liangmin [Key Laboratory of Marine Chemistry Theory and Technology, Ministry of Education, Ocean University of China, College of Chemistry and Chemical Engineering (China)

    2017-01-15

    Graphical abstract: The optimized structure of hydrated goethite (010) surface with medium water coverage (water density about 6.7 H{sub 2}O/nm{sup 2}). - Highlights: • Stable adsorption and dissociation structure of H{sub 2}O on goethite (010) surface was investigated by DFT. • Reasonable path for water dissociation was proposed by transitional state analysis. • The mechanism of water adsorption on goethite and binding nature were revealed by PDOS. - Abstract: Using density functional theory (DFT) calculation, we investigate the configuration, stability and electronic properties of fresh cleaved (010) goethite surface (Pnma) and this surface exposed to water monolayer at low, medium and high coverage. Water is predicted to be chemisorbed to the surface, together with the surface reconstruction. The interaction energy of the most stable configuration of both low and medium coverage per water molecule is almost the same (−1.17 eV), while that of high coverage is much lower (less than 1.03 eV). It indicates that highly hydrated surface is less stable. PDOS analysis reveals the adsorption of H{sub 2}O is due to the formation of Fe−O bond, caused by overlapping of Fe's 3d and O's 2p orbitals. Dissociation processes at low and medium water coverage are non-spontaneous; while at high coverage, it can undertake spontaneously both thermodynamically and dynamically. The dissociation paths of all three water coverage are the similar. The proton from one adsorbed water is likely to dissociate to bind to the vicinal surface μ{sub 3}−O as an intermediate product; the proton belonged to μ{sub 3}−O transferred to the neighbor surface μ{sub 2}−O as the dissociative configuration.

  14. Strain effect on the adsorption, diffusion, and molecular dissociation of hydrogen on Mg (0001) surface

    Energy Technology Data Exchange (ETDEWEB)

    Lei, Huaping; Wang, Caizhuang; Yao, Yongxin; Hupalo, Myron [Ames Laboratory, USDOE, Ames, Iowa 50011 (United States); Wang, Yangang [Ames Laboratory, USDOE, Ames, Iowa 50011 (United States); Supercomputing Center of Computer Network Information Center, CAS, Beijing 100190 (China); McDougall, Dan; Tringides, Michael; Ho, Kaiming [Ames Laboratory, USDOE, Ames, Iowa 50011 (United States); Department of Physics and Astronomy, Iowa State University, Ames, Iowa 50011 (United States)

    2013-12-14

    The adsorption, diffusion, and molecular dissociation of hydrogen on the biaxially strained Mg (0001) surface have been systematically investigated by the first principle calculations based on density functional theory. When the strain changes from the compressive to tensile state, the adsorption energy of H atom linearly increases while its diffusion barrier linearly decreases oppositely. The dissociation barrier of H{sub 2} molecule linearly reduces in the tensile strain region. Through the chemical bonding analysis including the charge density difference, the projected density of states and the Mulliken population, the mechanism of the strain effect on the adsorption of H atom and the dissociation of H{sub 2} molecule has been elucidated by an s-p charge transfer model. With the reduction of the orbital overlap between the surface Mg atoms upon the lattice expansion, the charge transfers from p to s states of Mg atoms, which enhances the hybridization of H s and Mg s orbitals. Therefore, the bonding interaction of H with Mg surface is strengthened and then the atomic diffusion and molecular dissociation barriers of hydrogen decrease accordingly. Our works will be helpful to understand and to estimate the influence of the lattice deformation on the performance of Mg-containing hydrogen storage materials.

  15. Iodine adsorption on ion-exchange resins and activated carbons: batch testing

    Energy Technology Data Exchange (ETDEWEB)

    Parker, Kent E.; Golovich, Elizabeth C.; Wellman, Dawn M.

    2014-09-30

    Iodine sorption onto seven resins and six carbon materials was evaluated using water from well 299-W19-36 on the Hanford Site. These materials were tested using a range of solution-to-solid ratios. The test results are as follows. The efficacy of the resin and granular activated carbon materials was less than predicted based on manufacturers’ performance data. It is hypothesized that this is due to the differences in speciation previously determined for Hanford groundwater. The sorption of iodine is affected by the iodine species in the source water. Iodine loading on resins using source water ranged from 1.47 to 1.70 µg/g with the corresponding Kd values from 189.9 to 227.0 mL/g. The sorption values when the iodine is converted to iodide ranged from 2.75 to 5.90 µg/g with the corresponding Kd values from 536.3 to 2979.6 mL/g. It is recommended that methods to convert iodine to iodide be investigated in fiscal year (FY) 2015. The chemicals used to convert iodine to iodate adversely affected the sorption of iodine onto the carbon materials. Using as-received source water, loading and Kd values ranged from 1.47 to 1.70 µg/g and 189.8 to 226.3 mL/g respectively. After treatment, loading and Kd values could not be calculated because there was little change between the initial and final iodine concentration. It is recommended the cause of the decrease in iodine sorption be investigated in FY15. In direct support of CH2M HILL Plateau Remediation Company, Pacific Northwest National Laboratory has evaluated samples from within the 200W pump and treat bioreactors. As part of this analysis, pictures taken within the bioreactor reveal a precipitate that, based on physical properties and known aqueous chemistry, is hypothesized to be iron pyrite or chalcopyrite, which could affect iodine adsorption. It is recommended these materials be tested at different solution-to-solid ratios in FY15 to determine their effect on iodine

  16. Iodine adsorption on ion-exchange resins and activated carbons: batch testing

    International Nuclear Information System (INIS)

    Parker, Kent E.; Golovich, Elizabeth C.; Wellman, Dawn M.

    2014-01-01

    Iodine sorption onto seven resins and six carbon materials was evaluated using water from well 299-W19-36 on the Hanford Site. These materials were tested using a range of solution-to-solid ratios. The test results are as follows. The efficacy of the resin and granular activated carbon materials was less than predicted based on manufacturers' performance data. It is hypothesized that this is due to the differences in speciation previously determined for Hanford groundwater. The sorption of iodine is affected by the iodine species in the source water. Iodine loading on resins using source water ranged from 1.47 to 1.70 µg/g with the corresponding K d values from 189.9 to 227.0 mL/g. The sorption values when the iodine is converted to iodide ranged from 2.75 to 5.90 µg/g with the corresponding K d values from 536.3 to 2979.6 mL/g. It is recommended that methods to convert iodine to iodide be investigated in fiscal year (FY) 2015. The chemicals used to convert iodine to iodate adversely affected the sorption of iodine onto the carbon materials. Using as-received source water, loading and K d values ranged from 1.47 to 1.70 µg/g and 189.8 to 226.3 mL/g respectively. After treatment, loading and K d values could not be calculated because there was little change between the initial and final iodine concentration. It is recommended the cause of the decrease in iodine sorption be investigated in FY15. In direct support of CH2M HILL Plateau Remediation Company, Pacific Northwest National Laboratory has evaluated samples from within the 200W pump and treat bioreactors. As part of this analysis, pictures taken within the bioreactor reveal a precipitate that, based on physical properties and known aqueous chemistry, is hypothesized to be iron pyrite or chalcopyrite, which could affect iodine adsorption. It is recommended these materials be tested at different solution-to-solid ratios in FY15 to determine their effect on iodine sorption.

  17. Insights on finite size effects in ab initio study of CO adsorption and dissociation on Fe 110 surface

    International Nuclear Information System (INIS)

    Chakrabarty, Aurab; Bouhali, Othmane; Mousseau, Normand; Becquart, Charlotte S.; El-Mellouhi, Fedwa

    2016-01-01

    Adsorption and dissociation of hydrocarbons on metallic surfaces represent crucial steps on the path to carburization, eventually leading to dusting corrosion. While adsorption of CO molecules on Fe surface is a barrier-less exothermic process, this is not the case for the dissociation of CO into C and O adatoms and the diffusion of C beneath the surface that are found to be associated with large energy barriers. In practice, these barriers can be affected by numerous factors that combine to favour the CO-Fe reaction such as the abundance of CO and other hydrocarbons as well as the presence of structural defects. From a numerical point of view, studying these factors is challenging and a step-by-step approach is necessary to assess, in particular, the influence of the finite box size on the reaction parameters for adsorption and dissociation of CO on metal surfaces. Here, we use density functional theory (DFT) total energy calculations with the climbing-image nudged elastic band method to estimate the adsorption energies and dissociation barriers for different CO coverages with surface supercells of different sizes. We further compute the effect of periodic boundary condition for DFT calculations and find that the contribution from van der Waals interaction in the computation of adsorption parameters is important as they contribute to correcting the finite-size error in small systems. The dissociation process involves carbon insertion into the Fe surface causing a lattice deformation that requires a larger surface system for unrestricted relaxation. We show that, in the larger surface systems associated with dilute CO-coverages, C-insertion is energetically more favourable, leading to a significant decrease in the dissociation barrier. This observation suggests that a large surface system with dilute coverage is necessary for all similar metal-hydrocarbon reactions in order to study their fundamental electronic mechanisms, as an isolated phenomenon, free from

  18. Insights on finite size effects in ab initio study of CO adsorption and dissociation on Fe 110 surface

    Energy Technology Data Exchange (ETDEWEB)

    Chakrabarty, Aurab, E-mail: aurab.chakrabarty@qatar.tamu.edu; Bouhali, Othmane [Texas A& M University at Qatar, P.O. Box 23874, Doha (Qatar); Mousseau, Normand [Département de Physique and RQMP, Université de Montréal, Case Postale 6128, Succursale Centre-ville, Montréal, Québec H3C 3J7 (Canada); Becquart, Charlotte S. [UMET, UMR CNRS 8207, ENSCL, Université Lille I, 59655 Villeneuve d' Ascq Cédex (France); El-Mellouhi, Fedwa [Qatar Environment and Energy Research Institute, Hamad Bin Khalifa University, P.O. Box 5825, Doha (Qatar)

    2016-08-07

    Adsorption and dissociation of hydrocarbons on metallic surfaces represent crucial steps on the path to carburization, eventually leading to dusting corrosion. While adsorption of CO molecules on Fe surface is a barrier-less exothermic process, this is not the case for the dissociation of CO into C and O adatoms and the diffusion of C beneath the surface that are found to be associated with large energy barriers. In practice, these barriers can be affected by numerous factors that combine to favour the CO-Fe reaction such as the abundance of CO and other hydrocarbons as well as the presence of structural defects. From a numerical point of view, studying these factors is challenging and a step-by-step approach is necessary to assess, in particular, the influence of the finite box size on the reaction parameters for adsorption and dissociation of CO on metal surfaces. Here, we use density functional theory (DFT) total energy calculations with the climbing-image nudged elastic band method to estimate the adsorption energies and dissociation barriers for different CO coverages with surface supercells of different sizes. We further compute the effect of periodic boundary condition for DFT calculations and find that the contribution from van der Waals interaction in the computation of adsorption parameters is important as they contribute to correcting the finite-size error in small systems. The dissociation process involves carbon insertion into the Fe surface causing a lattice deformation that requires a larger surface system for unrestricted relaxation. We show that, in the larger surface systems associated with dilute CO-coverages, C-insertion is energetically more favourable, leading to a significant decrease in the dissociation barrier. This observation suggests that a large surface system with dilute coverage is necessary for all similar metal-hydrocarbon reactions in order to study their fundamental electronic mechanisms, as an isolated phenomenon, free from

  19. X-ray Pump–Probe Investigation of Charge and Dissociation Dynamics in Methyl Iodine Molecule

    Directory of Open Access Journals (Sweden)

    Li Fang

    2017-05-01

    Full Text Available Molecular dynamics is of fundamental interest in natural science research. The capability of investigating molecular dynamics is one of the various motivations for ultrafast optics. We present our investigation of photoionization and nuclear dynamics in methyl iodine (CH3I molecule with an X-ray pump X-ray probe scheme. The pump–probe experiment was realized with a two-mirror X-ray split and delay apparatus. Time-of-flight mass spectra at various pump–probe delay times were recorded to obtain the time profile for the creation of high charge states via sequential ionization and for molecular dissociation. We observed high charge states of atomic iodine up to 29+, and visualized the evolution of creating these high atomic ion charge states, including their population suppression and enhancement as the arrival time of the second X-ray pulse was varied. We also show the evolution of the kinetics of the high charge states upon the timing of their creation during the ionization-dissociation coupled dynamics. We demonstrate the implementation of X-ray pump–probe methodology for investigating X-ray induced molecular dynamics with femtosecond temporal resolution. The results indicate the footprints of ionization that lead to high charge states, probing the long-range potential curves of the high charge states.

  20. Adsorption and dissociation of H2S on Mo(1 0 0) surface by first-principles study

    International Nuclear Information System (INIS)

    Luo, Haijun; Cai, Jianqiu; Tao, Xiangming; Tan, Mingqiu

    2014-01-01

    Density-functional theory calculations had been used to investigate the adsorption and dissociation of H 2 S on Mo(1 0 0) surface. Adsorption mechanisms of H 2 S, HS, S and H on the Mo(1 0 0) surface were analyzed. H 2 S was found to be adsorbed at bridge, hollow and top sites with adsorption energies of −1.25, −1.03 and −0.92 eV, respectively. HS was strongly chemically absorbed at hollow, bridge and top sites with adsorption energies of −4.51, −4.08 and −3.45 eV, respectively, and sulfur and hydrogen preferred to be absorbed at hollow and bridge sites, respectively. In addition, potential energy profiles of H 2 S dissociation on Mo(1 0 0) had been constructed by a climbing image nudged elastic band method. Four possible dissociation pathways of the first H 2 S dehydrogenation were examined with reaction barriers of 0.28, 0.37, 0.075, and 0.21 eV, respectively, while the energy barrier to break the S-H bond of HS with or without hydrogen co-adsorption was almost the same low. This work showed that the decomposition of H 2 S on the molybdenum surface was kinetically and thermodynamically facile. Local densities of electronic states were further used to characterize the interaction between H 2 S and substrate.

  1. Adsorption and dissociation of oxygen molecules on Si(111)-(7×7) surface

    International Nuclear Information System (INIS)

    Niu, Chun-Yao; Wang, Jian-Tao

    2013-01-01

    The adsorption and dissociation of O 2 molecules on Si(111)-(7×7) surface have been studied by first-principles calculations. Our results show that all the O 2 molecular species adsorbed on Si(111)-(7×7) surface are unstable and dissociate into atomic species with a small energy barrier about 0.1 eV. The single O 2 molecule adsorption tends to form an ins×2 or a new metastable ins×2* structure on the Si adatom sites and the further coming O 2 molecules adsorb on those structures to produce an ad-ins×3 structure. The ad-ins×3 structure is indeed highly stable and kinetically limited for diving into the subsurface layer to form the ins×3-tri structure by a large barrier of 1.3 eV. Unlike the previous views, we find that all the ad-ins, ins×2, and ad-ins×3 structures show bright images, while the ins×2*, ins×3, and ins×3-tri structures show dark images. The proposed oxidation pathways and simulated scanning tunneling microscope images account well for the experimental results and resolve the long-standing confusion and issue about the adsorption and reaction of O 2 molecules on Si(111) surface

  2. Free energy landscape of dissociative adsorption of methane on ideal and defected graphene from ab initio simulations

    Science.gov (United States)

    Wlazło, M.; Majewski, J. A.

    2018-03-01

    We study the dissociative adsorption of methane at the surface of graphene. Free energy profiles, which include activation energies for different steps of the reaction, are computed from constrained ab initio molecular dynamics. At 300 K, the reaction barriers are much lower than experimental bond dissociation energies of gaseous methane, strongly indicating that the graphene surface acts as a catalyst of methane decomposition. On the other hand, the barriers are still much higher than on the nickel surface. Methane dissociation therefore occurs at a higher rate on nickel than on graphene. This reaction is a prerequisite for graphene growth from a precursor gas. Thus, the growth of the first monolayer should be a fast and efficient process while subsequent layers grow at a diminished rate and in a more controllable manner. Defects may also influence reaction energetics. This is evident from our results, in which simple defects (Stone-Wales defect and nitrogen substitution) lead to different free energy landscapes at both dissociation and adsorption steps of the process.

  3. Dissociation coefficients of protein adsorption to nanoparticles as quantitative metrics for description of the protein corona: A comparison of experimental techniques and methodological relevance

    KAUST Repository

    Hü hn, Jonas; Fedeli, Chiara; Zhang, Qian; Masood, Atif; del Pino, Pablo; Khashab, Niveen M.; Papini, Emanuele; Parak, Wolfgang J.

    2015-01-01

    Protein adsorption to nanoparticles is described as a chemical reaction in which proteins attach to binding sites on the nanoparticle surface. This process can be described with a dissociation coefficient, which tells how many proteins are adsorbed per nanoparticle in dependence of the protein concentration. Different techniques to experimentally determine dissociation coefficients of protein adsorption to nanoparticles are reviewed. Results of more than 130 experiments in which dissociation coefficients have been determined are compared. Data show that different methods, nanoparticle systems, and proteins can lead to significantly different dissociation coefficients. However, we observed a clear tendency of smaller dissociation coefficients upon less negative towards more positive zeta potentials of the nanoparticles. The zeta potential thus is a key parameter influencing protein adsorption to the surface of nanoparticles. Our analysis highlights the importance of the characterization of the parameters governing protein-nanoparticle interaction for quantitative evaluation and objective literature comparison.

  4. Dissociation coefficients of protein adsorption to nanoparticles as quantitative metrics for description of the protein corona: A comparison of experimental techniques and methodological relevance

    KAUST Repository

    Hühn, Jonas

    2015-12-31

    Protein adsorption to nanoparticles is described as a chemical reaction in which proteins attach to binding sites on the nanoparticle surface. This process can be described with a dissociation coefficient, which tells how many proteins are adsorbed per nanoparticle in dependence of the protein concentration. Different techniques to experimentally determine dissociation coefficients of protein adsorption to nanoparticles are reviewed. Results of more than 130 experiments in which dissociation coefficients have been determined are compared. Data show that different methods, nanoparticle systems, and proteins can lead to significantly different dissociation coefficients. However, we observed a clear tendency of smaller dissociation coefficients upon less negative towards more positive zeta potentials of the nanoparticles. The zeta potential thus is a key parameter influencing protein adsorption to the surface of nanoparticles. Our analysis highlights the importance of the characterization of the parameters governing protein-nanoparticle interaction for quantitative evaluation and objective literature comparison.

  5. Adsorption and revaporisation studies on iodine oxide aerosols deposited on containment surface materials in LWR

    International Nuclear Information System (INIS)

    Tietze, S.; Foreman, M.R.StJ.; Ekberg, C.; Kaerkelae, T.; Auvinen, A.; Tapper, U.; Lamminmaeki, S.; Jokiniemi, J.

    2012-12-01

    During a hypothetical severe nuclear accident, the radiation field will be very high in the nuclear reactor containment building. As a result gaseous radiolysis products will be formed. Elemental iodine can react in the gaseous phase with ozone to form solid iodine oxide aerosol particles (iodine oxide). Within the AIAS (Adsorption of Iodine oxide Aerosols on Surfaces) project the interactions of iodine oxide (IOx) aerosols with common containment surface materials were investigated. Common surface materials in Swedish and Finnish LWRs are Teknopox Aqua V A paint films and metal surfaces such as Cu, Zn, Al and SS, as well as Pt and Pd surfaces from hydrogen recombiners. Non-radioactive and 131 I labelled iodine oxide aerosols were produced with the EXSI CONT facility from elemental iodine and ozone at VTT Technical Research Centre of Finland. The iodine oxide deposits were analysed with microscopic and spectroscopic measurement techniques to identify the kind of iodine oxide formed and if a chemical conversion on the different surface materials occurs. The revaporisation behaviour of the deposited iodine oxide aerosol particles from the different surface materials was studied under the influence of heat, humidity and gamma irradiation at Chalmers University of Technology, Sweden. Studies on the effects of humidity were performed using the FOMICAG facility, while heat and irradiation experiments were performed in a thermostated heating block and with a gammacell 22 having a dose rate of 14 kGy/h. The revaporisation losses were measured using a HPGe detector. The revaporisated 131 I species from the surfaces were chemically tested for elemental iodine formation. The parameter dominating the degradation of the produced iodine oxide aerosols was humidity. Cu and Zn surfaces were found to react with iodine from the iodine oxide aerosols to form iodides, while no metal iodides were detected for Al and SS samples. Most of the iodine oxide aerosols are assumed to be

  6. The I2 dissociation mechanisms in the chemical oxygen-iodine laser revisited.

    Science.gov (United States)

    Waichman, K; Barmashenko, B D; Rosenwaks, S

    2012-06-28

    The recently suggested mechanism of I(2) dissociation in the chemical oxygen-iodine laser (COIL) [K. Waichman, B. D. Barmashenko, and S. Rosenwaks, J. Appl. Phys. 106, 063108 (2009); and J. Chem. Phys. 133, 084301 (2010)] was largely based on the suggestion of V. N. Azyazov, S. Yu. Pichugin, and M. C. Heaven [J. Chem. Phys. 130, 104306 (2009)] that the vibrational population of O(2)(a) produced in the chemical generator is high enough to play an essential role in the dissociation. The results of model calculations based on this mechanism agreed very well with measurements of the small signal gain g, I(2) dissociation fraction F, and temperature T in the COIL. This mechanism is here revisited, following the recent experiments of M. V. Zagidullin [Quantum Electron. 40, 794 (2010)] where the observed low population of O(2)(b, v = 1) led to the conclusion that the vibrational population of O(2)(a) at the outlet of the generator is close to thermal equilibrium value. This value corresponds to a very small probability, ∼0.05, of O(2)(a) energy pooling to the states O(2)(X,a,b, v > 0). We show that the dissociation mechanism can reproduce the experimentally observed values of g, F, and T in the COIL only if most of the energy released in the processes of O(2)(a) energy pooling and O(2)(b) quenching by H(2)O ends up as vibrational energy of the products, O(2)(X,a,b), where the vibrational states v = 2 and 3 are significantly populated. We discuss possible reasons for the differences in the suggested vibrational population and explain how these differences can be reconciled.

  7. Chemisorption of organic iodine compounds forming from fission isotopes of radioactive iodine

    International Nuclear Information System (INIS)

    Tot, G.; Galina, F.; Zel'd, E.

    1977-01-01

    Studied is ethyl iodine adsorption, labelled by iodine 131, on palladium black and on aluminium oxide activized by palladium. The desorption of adsorbed iodine in the temperature range of 20-600 deg C by the mass spectroscopy and thermal gravimetric methods was investigated. At the ethyl iodine and palladium interaction the bond between carbon and iodine in the ethyl iodine molecule breaks down and extracting iodine reacts with palladium, forming a stable compound at high temperatures. Desorption of adsorbed iodine is insignificant up to the temperatures of 250-300 deg C. Thus, sorbents, containing palladium, may be successfully applied for iodine absorption from the organic iodine compounds. These compounds spontaneously appear from the iodine fragment ratio isotopes during their interaction with some environmental organic impurities

  8. Adsorption and revaporisation studies on iodine oxide aerosols deposited on containment surface materials in LWR

    Energy Technology Data Exchange (ETDEWEB)

    Tietze, S.; Foreman, M.R.StJ.; Ekberg, C. [Chalmers Univ. of Technology, Goeteborg (Sweden); Kaerkelae, T.; Auvinen, A.; Tapper, U.; Lamminmaeki, S.; Jokiniemi, J. [VTT Technical Research Centre of Finland, Espoo (Finland)

    2012-12-15

    During a hypothetical severe nuclear accident, the radiation field will be very high in the nuclear reactor containment building. As a result gaseous radiolysis products will be formed. Elemental iodine can react in the gaseous phase with ozone to form solid iodine oxide aerosol particles (iodine oxide). Within the AIAS (Adsorption of Iodine oxide Aerosols on Surfaces) project the interactions of iodine oxide (IOx) aerosols with common containment surface materials were investigated. Common surface materials in Swedish and Finnish LWRs are Teknopox Aqua V A paint films and metal surfaces such as Cu, Zn, Al and SS, as well as Pt and Pd surfaces from hydrogen recombiners. Non-radioactive and {sup 131}I labelled iodine oxide aerosols were produced with the EXSI CONT facility from elemental iodine and ozone at VTT Technical Research Centre of Finland. The iodine oxide deposits were analysed with microscopic and spectroscopic measurement techniques to identify the kind of iodine oxide formed and if a chemical conversion on the different surface materials occurs. The revaporisation behaviour of the deposited iodine oxide aerosol particles from the different surface materials was studied under the influence of heat, humidity and gamma irradiation at Chalmers University of Technology, Sweden. Studies on the effects of humidity were performed using the FOMICAG facility, while heat and irradiation experiments were performed in a thermostated heating block and with a gammacell 22 having a dose rate of 14 kGy/h. The revaporisation losses were measured using a HPGe detector. The revaporisated {sup 131}I species from the surfaces were chemically tested for elemental iodine formation. The parameter dominating the degradation of the produced iodine oxide aerosols was humidity. Cu and Zn surfaces were found to react with iodine from the iodine oxide aerosols to form iodides, while no metal iodides were detected for Al and SS samples. Most of the iodine oxide aerosols are assumed to

  9. A first principles study of the adsorption and dissociation of CO2 on the δ-Pu (111) surface

    International Nuclear Information System (INIS)

    Atta-Fynn, R.; Raya, A.K.

    2009-01-01

    A complete understanding of the nature of the 5f electrons has been and continues to be a major scientific problem in condensed matter physics. Bulk and surface electronic structure studies of the actinides as also atomic and molecular adsorptions on the actinide surfaces provide a path towards this understanding. In this work, ab initio calculations within the framework of density functional theory have been used to study the adsorption of molecular CO 2 and the corresponding partially dissociated (CO+O) and completely dissociated (C+O+O) products on the δ-Pu (111) surface. The completely dissociated C+O+O configurations exhibit the strongest binding with the surface (7.92 eV), followed by partially dissociated products CO+O (5.08 eV), with molecular CO 2 adsorption having the lowest binding energies (2.35 eV). For all initial vertically upright orientations, the CO 2 molecule physi-sorbs or do not bind to the surface and the geometry and orientation do not change. For all initial flat lying orientations chemisorption occurs, with the final state corresponding to a bent CO 2 molecule with bond angles of 117-130 degrees and the elongation of the CO bond. For CO+O co-adsorption, the stable configurations corresponded to CO dipole moment orientations of 100-172 degrees with respect to the surface normal and the elongation of the CO bond. The most stable chemisorption cases correspond to anomalously large rumpling of the top Pu layer. The interactions of the CO 2 and CO with the Pu surface have been analyzed using the energy density of states and difference charge density distributions. The nature and the behavior of the 5f electrons have also been discussed in detail in the context of this study. (authors)

  10. Electrochemistry of iodine

    Energy Technology Data Exchange (ETDEWEB)

    Yaraliev, Ya.A. (AN Azerbajdzhanskoj SSR, Baku. Inst. Neorganicheskoj i Fizicheskoj Khimii)

    1982-06-01

    The review is devoted to investigations into oxidation-reduction processes in different systems including iodine. The data on adsorption of iodine on metals are discussed; the connection between the nature of iodine adsorption and the mechanism of its electrode reactions is considered. The metals studied can be placed in the following series taking into account the degree of I sorption on them: Cd approximately Tl < Sn approximately Pb < Ga < Bi < Hg < Co approximately Ni < Fe < Ag approximately Rh approximately Pd approximately Ir < Pt. The data are given of standard and equilibrium potentials in iodine systems. Electric oxidation and electric reduction of iodide ions is investigated using the methods of Faraday impedance and rectification, methods of voltamperometry and oscillopolarography, rotating disc electrode, chronopotentiometry. Anode and cathode processes of oxidation-reduction reactions in I/sup -//IO/sub 3//sup -/, I/sub 2//IO/sub 3//sup -/ and I/sub 2//I/sup +/ systems are analyzed.

  11. The behavior of gaseous iodine in sand

    International Nuclear Information System (INIS)

    Takahashi, Kanji

    1974-01-01

    Radioactive iodine gas was passed through 10 different sands collected at rivers and hills. The relation between the amount of the loaded gas and the amount of adsorbed gas was determined at room temperature, 50 -- 60 0 C, and 90 -- 100 0 C under humidity of 2 sand. This amount was about 1 -- 3 times as much as that of monomolecular membrane adsorption, 0.2 -- 0.3 μg/cm 2 . The decrease of adsorption amount that accompanies the increase of humidity is attributable to the decrease of effective surface area of sand due to the presence of water. The transport of iodine in sand was studied by passing gaseous iodine through a glass tubing packed with sand. The distribution in the flow direction of iodine indicated that the ease of desorption depends upon the situation of adsorption. Easily desorbed case was named Henry type adsorption. Hardly desorbed case was named absorption type. Discussion is made on experimental results. (Fukutomi, T.)

  12. Adsorption and dissociation of dinitrogen on transition metal (Ta, W and Re) doped MgO surface

    KAUST Repository

    Yadav, Manoj Kumar; Vovusha, Hakkim; Sanyal, Biplab

    2016-01-01

    The adsorption and dissociation of dinitrogen on transition metal (Ta, W and Re) doped MgO(100) surface has been studied employing density functional theory. It is found that all these transition metals (TM) on MgO(100) surface are capable

  13. The method of quantitative determination of iodine in acetic acid

    International Nuclear Information System (INIS)

    Sukhomlinov, A.B.; Kalinchenko, N.B.

    1988-01-01

    Method for separate determination of J 2 and J - concentrations in acetic acid is suggested. Iodine concentration in acetic acid is determined by measuring potential of iodine-selective electrode first in the initial solution of acetic acid, where molecular iodine dissociation equals 0.5, and then in acetic acid, with alkali (NaOH) addition up to pH > 3, where molecular iodine dissociation equals 1. Determination is conducted in 5x10 -7 -5x10 -6 mol/l concentration range with relative standard deviation not more than 0.1. 1 fig

  14. Adsorption and dissociation of H{sub 2}S on Mo{sub 2}C(001) surface-A first-principle study

    Energy Technology Data Exchange (ETDEWEB)

    Fu, Dianling; Guo, Wenyue, E-mail: wyguo@upc.edu.cn; Liu, Yunjie; Chi, Yuhua

    2015-10-01

    Highlights: • Adsorption of reactants, intermediates involved was investigated. • The Mulliken charge and partial density of states were analyzed. • The dissociation mechanism was investigated. • The optimal pathway for the dissociation of H{sub 2}S on the Mo{sub 2}C(001) surface was given. - Abstract: The adsorption and decomposition reaction mechanisms of H{sub 2}S on Mo{sub 2}C(001) has been systematically studied using self-consistent periodic density functional theory. Results show that the molecular of H{sub 2}S is adsorbed either on the Mo top site or bridge site. Mulliken population analysis and density of states for H{sub 2}S/Mo-terminated Mo{sub 2}C(001) adsorption system are examined to confirm the adsorption mechanism of H{sub 2}S with the Mo{sub 2}C(001) surface, which can involve the donation of charge from the “s lone pair electrons” that are LUMO orbitals into the surface and the back donation of electrons from the surface into the HOMO orbital. The optimal pathway for the dissociation of H{sub 2}S on the Mo{sub 2}C(001) surface can be H{sub 2}S{sub top} → SH{sub fcc} + H{sub fcc} → S{sub fcc} + H{sub fcc} + H{sub fcc}. The first step is the rate-determining step because it has the smallest rate constant among the possible reactions pathways.

  15. Ultrahigh iodine adsorption in porous organic frameworks

    KAUST Repository

    Pei, Cuiying

    2014-01-01

    We present two porous organic frameworks (POFs), PAF-1 and JUC-Z2, with ultrahigh iodine capture capacity. The iodine vapor uptake of PAF-1 and JUC-Z2 were 1.86 g g-1 and 1.44 g g-1 respectively at 298 K per 40 Pa, which is extremely high for such low pressure sorption conditions. In addition, PAF-1 and JUC-Z2 could adsorb iodine over water with the selectivity of 5.1 and 6.5 respectively. The isosteric enthalpy at zero surface coverage, calculated by a virial equation with the iodine vapor sorption isotherms at 298 K and 313 K of JUC-Z2, reached -51.1 kJ mol-1, which was much higher than the coverage of PAF-1 (-14.9 kJ mol-1). Raman measurement confirmed the polyiodide to be I5 - in POFs. Furthermore, solvents with different polarities, such as n-hexane, chloroform, and methanol, were chosen to conduct iodine binding measurements on PAF-1 and JUC-Z2. The formation constant Kf for POFs in n-hexane, chloroform and methanol drastically decreased with the increase in polarity, thus illustrating the important role of solvents in iodine binding. © the Partner Organisations 2014.

  16. FY-2016 Methyl Iodide Higher NOx Adsorption Test Report

    Energy Technology Data Exchange (ETDEWEB)

    Soelberg, Nicholas Ray [Idaho National Lab. (INL), Idaho Falls, ID (United States); Watson, Tony Leroy [Idaho National Lab. (INL), Idaho Falls, ID (United States)

    2016-09-01

    Deep-bed methyl iodide adsorption testing has continued in Fiscal Year 2016 under the Department of Energy (DOE) Fuel Cycle Technology (FCT) Program Offgas Sigma Team to further research and advance the technical maturity of solid sorbents for capturing iodine-129 in off-gas streams during used nuclear fuel reprocessing. Adsorption testing with higher levels of NO (approximately 3,300 ppm) and NO2 (up to about 10,000 ppm) indicate that high efficiency iodine capture by silver aerogel remains possible. Maximum iodine decontamination factors (DFs, or the ratio of iodine flowrate in the sorbent bed inlet gas compared to the iodine flowrate in the outlet gas) exceeded 3,000 until bed breakthrough rapidly decreased the DF levels to as low as about 2, when the adsorption capability was near depletion. After breakthrough, nearly all of the uncaptured iodine that remains in the bed outlet gas stream is no longer in the form of the original methyl iodide. The methyl iodide molecules are cleaved in the sorbent bed, even after iodine adsorption is no longer efficient, so that uncaptured iodine is in the form of iodine species soluble in caustic scrubber solutions, and detected and reported here as diatomic I2. The mass transfer zone depths were estimated at 8 inches, somewhat deeper than the 2-5 inch range estimated for both silver aerogels and silver zeolites in prior deep-bed tests, which had lower NOx levels. The maximum iodine adsorption capacity and silver utilization for these higher NOx tests, at about 5-15% of the original sorbent mass, and about 12-35% of the total silver, respectively, were lower than for trends from prior silver aerogel and silver zeolite tests with lower NOx levels. Additional deep-bed testing and analyses are recommended to expand the database for organic iodide adsorption and increase the technical maturity if iodine adsorption processes.

  17. Chemical generation of iodine atoms

    Energy Technology Data Exchange (ETDEWEB)

    Hewett, Kevin B. [Directed Energy Directorate, Air Force Research Laboratory, 3550 Aberdeen Avenue SE, Kirtland AFB, NM 87117-5776 (United States)]. E-mail: kevin.hewett@kirtland.af.mil; Hager, Gordon D. [Directed Energy Directorate, Air Force Research Laboratory, 3550 Aberdeen Avenue SE, Kirtland AFB, NM 87117-5776 (United States); Crowell, Peter G. [Northrup Grumman Information Technology, Science and Technology Operating Unit, Advanced Technology Division, P.O. Box 9377, Albuquerque, NM 87119-9377 (United States)

    2005-01-10

    The chemical generation of atomic iodine using a chemical combustor to generate the atomic fluorine intermediate, from the reaction of F{sub 2} + H{sub 2}, followed by the production of atomic iodine, from the reaction of F + HI, was investigated. The maximum conversion efficiency of HI into atomic iodine was observed to be approximately 75%, which is in good agreement with the theoretical model. The conversion efficiency is limited by the formation of iodine monofluoride at the walls of the combustor where the gas phase temperature is insufficient to dissociate the IF.

  18. The reaction rate for dissociative adsorption of N-2 on stepped Ru(0001): Six-dimensional quantum calculations

    DEFF Research Database (Denmark)

    van Harrevelt, Rob; Honkala, Johanna Karoliina; Nørskov, Jens Kehlet

    2005-01-01

    Quantum-mechanical calculations of the reaction rate for dissociative adsorption of N-2 on stepped Ru(0001) are presented. Converged six-dimensional quantum calculations for this heavy-atom reaction have been performed using the multiconfiguration time-dependent Hartree method. A potential...

  19. Adsorption and dissociation of H2O on Al(1 1 1) surface by density functional theory calculation

    International Nuclear Information System (INIS)

    Guo, F.Y.; Long, C.G.; Zhang, J.; Zhang, Z.; Liu, C.H.; Yu, K.

    2015-01-01

    Highlights: • O 2 on Al(1 1 1) surface can spontaneously dissociate, but H 2 O can not. • H 2 O, OH and H on top sites are favorable on Al(1 1 1) surface. • O on the hollow (fcc) site is preferred. • O which plays a key role in the dissociate reaction of H 2 O. - Abstract: Using the first-principles calculations method based on the density functional theory, we systematically study the adsorption behavior of a single molecular H 2 O on a clean and a pre-adsorbed O atom Al(1 1 1) surface, and also its corresponding dissociation reactions. The equilibrium configuration on top, bridge, and hollow (fcc and hcp) site were determined by relaxation of the system relaxation. The adsorptions of H 2 O, OH and H on top sites are favorable on the Al(1 1 1) surface, while that of O on the hollow (fcc) site is preferred. The results show that the hydrogen atom dissociating from H 2 O needs a 248.32 kJ/mol of energy on clean Al(1 1 1) surface, while the dissociating energy decreases to 128.53 kJ/mol with the aid of the O absorption. On the other hand, these phenomena indicate that the dehydrogenated reaction energy barrier of the pre-adsorbed O on metal surface is lower than that of on a clean one, because O can promote the dehydrogenation of H 2 O

  20. Density functional theory study of the adsorption and dissociation of O{sub 2} on CuO(1 1 1) surface

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Shujuan, E-mail: sunshujuan@hebut.edu.cn [School of Chemical Engineering and Technology, Hebei University of Technology, Tianjin 300130 (China); Li, Chunyu [Science and Technology Innovation Center, Datang Technologies Industry Group Company Limited, Beijing (China); Zhang, Dongsheng [School of Chemical Engineering and Technology, Hebei University of Technology, Tianjin 300130 (China); Wang, Yanji, E-mail: yjwang@hebut.edu.cn [School of Chemical Engineering and Technology, Hebei University of Technology, Tianjin 300130 (China)

    2015-04-01

    Highlights: • The dissociation mechanisms of O{sub 2} on the CuO(1 1 1) surface have been obtained. • The energy barriers and reaction energies are calculated. • The presence of oxygen vacancy can obviously improve the catalytic activity of CuO. - Abstract: Density functional theory (DFT) have been performed to investigate the adsorption and dissociation of O{sub 2} on the perfect and oxygen-deficient CuO(1 1 1) surfaces. The calculated results indicate that the bridge site of two Cu{sub sub} atoms is the most favorable site for O adsorption on the perfect CuO(1 1 1) surface. But on the oxygen-deficient CuO(1 1 1) surface, the O atom adsorbed on O{sub vacancy} site after optimization. On the perfect and oxygen-deficient CuO(1 1 1) surfaces, the O{sub 2} are all paralleling to the surface after optimization. Possible dissociation pathways of molecularly adsorbed O{sub 2} on the two surfaces are identified. The calculated results suggest that the presence of oxygen vacancy exhibits a strong chemical reactivity towards the dissociation of O{sub 2} and can obviously improve the catalytic activity of CuO.

  1. Adsorption of water on O(2x2)/Ru(0001): thermal stability and inhibition of dissociation by H2O-O bonding

    Energy Technology Data Exchange (ETDEWEB)

    Mugarza, Aitor; Shimizu, Tomoko; Cabrera-Sanfelix, Pepa; Sanchez-Portal, Daniel; Arnau, Andres; Salmeron, Miquel

    2008-08-01

    The effect of preadsorbed oxygen on the subsequent adsorption and reactions of water on Ru(0001) has been studied using low temperature scanning tunneling microscopy and DFT calculations. Experiments were carried out for O coverages close to 0.25 ML. It was found that no dissociation of water takes place up to the desorption temperature of {approx}180-230 K. DFT calculations show that intact water on O(2x2)/Ru(0001) is {approx} 0.49 eV more stable than the dissociation products, H and OH, at their preferred fcc and top adsorption sites.

  2. Theoretical Investigation of Hydrogen Adsorption and Dissociation on Iron and Iron Carbide Surfaces Using the ReaxFF Reactive Force Field Method

    Energy Technology Data Exchange (ETDEWEB)

    Zou, Chenyu; van Duin, Adri C.T.; Sorescu, Dan C.

    2012-06-01

    We have developed a ReaxFF reactive force field to describe hydrogen adsorption and dissociation on iron and iron carbide surfaces relevant for simulation of Fischer–Tropsch (FT) synthesis on iron catalysts. This force field enables large system (>>1000 atoms) simulations of hydrogen related reactions with iron. The ReaxFF force field parameters are trained against a substantial amount of structural and energetic data including the equations of state and heats of formation of iron and iron carbide related materials, as well as hydrogen interaction with iron surfaces and different phases of bulk iron. We have validated the accuracy and applicability of ReaxFF force field by carrying out molecular dynamics simulations of hydrogen adsorption, dissociation and recombination on iron and iron carbide surfaces. The barriers and reaction energies for molecular dissociation on these two types of surfaces have been compared and the effect of subsurface carbon on hydrogen interaction with iron surface is evaluated. We found that existence of carbon atoms at subsurface iron sites tends to increase the hydrogen dissociation energy barrier on the surface, and also makes the corresponding hydrogen dissociative state relatively more stable compared to that on bare iron. These properties of iron carbide will affect the dissociation rate of H{sub 2} and will retain more surface hydride species, thus influencing the dynamics of the FT synthesis process.

  3. Absorbing method of iodine in radioactive gaseous wastes

    International Nuclear Information System (INIS)

    Fukutome, Yutaka; Mifuji, Hiroshi; Ito, Sakae.

    1983-01-01

    Purpose: To maintain an iodine adsorbing efficiency at a high level by keeping the adsorbing atmosphere to more than a predetermined temperature to thereby suppress the degradation and the activity reduction in zeolite. Method: Adsorption and desorption-regeneration of gaseous wastes are performed in parallel by heating gaseous wastes in a heater and switchingly supplying the same to adsorption columns by way of valve operation. Processed gases are cooled in a cooler and desorbed gases are supplied to an after-treatment device to eliminate or recover iodine 131. In the adsorption column, iodine in gaseous wastes is adsorbed to remove by using zeolite, wherein the adsorbing atmosphere is kept at a temperature higher than 40 0 C. This can prevent the formation of an aqueous HNO 3 solution from NO 2 and H 2 O contained in the gaseous wastes and prevent the degradation of the zeolite adsorption layer. (Kawakami, Y.)

  4. Sorption of iodine onto Japanese soils

    Energy Technology Data Exchange (ETDEWEB)

    Yoshida, Satoshi [National Inst. of Radiological Sciences, Hitachinaka, Ibaraki (Japan). Nakaminato Lab. Branch

    1996-04-01

    Soils were collected from various regions of Japan. Iodine concentrations in the soils were quantitatively determined. The adsorption ratio and the distribution coefficients of iodine onto the soils were derived and effects of co-existing ions were studied. (J.P.N.)

  5. Sorption of iodine onto Japanese soils

    International Nuclear Information System (INIS)

    Yoshida, Satoshi

    1996-01-01

    Soils were collected from various regions of Japan. Iodine concentrations in the soils were quantitatively determined. The adsorption ratio and the distribution coefficients of iodine onto the soils were derived and effects of co-existing ions were studied. (J.P.N.)

  6. Comparison of reactivity on step and terrace sites of Pd (3 3 2) surface for the dissociative adsorption of hydrogen: A quantum chemical molecular dynamics study

    International Nuclear Information System (INIS)

    Ahmed, Farouq; Nagumo, Ryo; Miura, Ryuji; Ai, Suzuki; Tsuboi, Hideyuki; Hatakeyama, Nozomu; Endou, Akira; Takaba, Hiromitsu; Kubo, Momoji; Miyamoto, Akira

    2011-01-01

    The notion of 'active sites' is fundamental to heterogeneous catalysis. However, the exact nature of the active sites, and hence the mechanism by which they act, are still largely a matter of speculation. In this study, we have presented a systematic quantum chemical molecular dynamics (QCMD) calculations for the interaction of hydrogen on different step and terrace sites of the Pd (3 3 2) surface. Finally the dissociative adsorption of hydrogen on step and terrace as well as the influence of surface hydrogen vacancy for the dissociative adsorption of hydrogen has been investigated through QCMD. This is a state-of-the-art method for calculating the interaction of atoms and molecules with metal surfaces. It is found that fully hydrogen covered (saturated) step sites can dissociate hydrogen moderately and that a monovacancy surface is suitable for significant dissociative adsorption of hydrogen. However in terrace site of the surface we have found that dissociation of hydrogen takes place only on Pd sites where the metal atom is not bound to any pre-adsorbed hydrogen atoms. Furthermore, from the molecular dynamics and electronic structure calculations, we identify a number of consequences for the interpretation and modeling of diffusion experiments demonstrating the coverage and directional dependence of atomic hydrogen diffusion on stepped palladium surface.

  7. Gravimetric determination of the iodine number of carbon black

    International Nuclear Information System (INIS)

    Murphy, L.J. Jr.

    1991-01-01

    This paper discusses a gravimetric method for the determination of the iodine adsorption number of carbon black. It comprises determining the concentration of an accurately weighed iodine blank solution by adding a standardized titrant to the iodine solution until a titration endpoint is reached and determining the concentration of the iodine solution by accurately weighing the amount of the standardized titrant necessary to reach the endpoint, accurately weighing an amount of carbon black and adding an appropriate amount of an accurately weighed portion of the iodine solution, equilibrating the carbon black-iodine solution mixture, adding the standardized titrant to an accurately weighed portion of the supernatant from the carbon black-iodine mixture until a titration endpoint is reached and determining the concentration of the supernatant by accurately weighing the amount of the standardized titrant necessary to reach the endpoint, wherein the titration endpoint of the supernatant is obtained using an indicating and a reference electrode, and calculating the iodine adsorption number of the carbon black based on the gravimetrically determined concentration of the titrant, the iodine solution, and the supernatant

  8. Adsorption and dissociation of Cl{sub 2} molecule on ZnO nanocluster

    Energy Technology Data Exchange (ETDEWEB)

    Beheshtian, Javad [Department of Chemistry, Shahid Rajaee Teacher Training University, P.O. Box: 16875-163, Tehran (Iran, Islamic Republic of); Peyghan, Ali Ahmadi, E-mail: ahmadi.iau@gmail.com [Young Researchers Club, Islamic Azad University, Islamshahr Branch, Tehran (Iran, Islamic Republic of); Bagheri, Zargham [Physics group, Science department, Islamic Azad University, Islamshahr Branch, P.O. Box: 33135-369, Islamshahr, Tehran (Iran, Islamic Republic of)

    2012-08-01

    Adsorption of chlorine molecule (Cl{sub 2}) on the Zn{sub 12}O{sub 12} nano-cage has been analyzed using density functional theory. It has been shown that the Cl{sub 2} molecule is strongly adsorbed on the cluster via two mechanisms including chemisorption and dissociation with Gibbs free energy changes in the range of -0.36 to -0.92 eV at 298 K and 1 atm. These processes also significantly change the electronic properties of cluster by decreasing its HOMO/LUMO energy gap and increasing the work function. The Fermi level shifts towards lower energies upon the interactions between Cl{sub 2} and the cluster, resulting in raised potential barrier of the electron emission for the cluster and hence avoiding the field emission. The Zn{sub 12}O{sub 12} cluster is transformed to a p-type semiconductor substance upon the Cl{sub 2} dissociation. We believe that the obtained results may be helpful in several fields of study such as sensors, catalysts, and field emission investigations.

  9. The investigation of adsorption and dissociation of H2O on Li2O (111) by ab initio theory

    Science.gov (United States)

    Kong, Xianggang; Yu, You; Ma, Shenggui; Gao, Tao; Lu, Tiecheng; Xiao, Chengjian; Chen, Xiaojun; Zhang, Chuanyu

    2017-06-01

    The adsorption and dissociation mechanism of H2O molecule on the Li2O (111) surface have been systematically studied by using the density functional theory calculations. The parallel and vertical configurations of H2O at six different symmetry adsorption sites on the Li2O (111) surface are considered. In our calculations, it is suggested that H2O can dissociate on the perfect Li2O surface, of which the corresponding adsorption energy is 1.118 eV. And the adsorption energy decrease to be 0.241 eV when oxygen atom of H2O bonds to lithium atom of the slab. The final configurations are sensitive to the initial molecular orientation. By Bader charge analysis, the charge transfer from slab to adsorbed H2O/OH can be found due to the downward shift of lowest-unoccupied molecular orbital. We also analyze the vibrational frequencies at the Brillouin Zone centre for H2O molecule adsorbed on the stoichiometric surface. Due to the slightly different structure parameters, the calculated values of the vibrational frequencies of hydroxyl group range from 3824 to 3767 cm-1. Our results agree well with experimental results performed in FT-IR spectrum, which showed that an absorption peak of OH group appeared at 3677 cm-1 at room temperature.

  10. The main outcomes of the OECD Behaviour of Iodine (BIP) Project

    International Nuclear Information System (INIS)

    Glowa, Glenn A.; Moore, Chris J.; Ball, Joanne M.

    2013-01-01

    Highlights: • Moisture affects the rate of iodine adsorption on paint. • Irradiation of iodine-loaded paint yields methyl iodide. • The BIP project is complimentary to the EPICUR project. • BIP results help with the interpretation of Phébus FP results. - Abstract: An Organisation for Economic Co-operation and Development (OECD) status report on iodine behaviour published in February 2007 concluded that although the understanding of iodine behaviour in containment had advanced considerably over the past several decades, there were still areas where further investigation was warranted. The OECD initiated the Behaviour of Iodine Project (BIP) to investigate two of these areas: • The interaction of iodine with painted surfaces: adsorption of iodine from the gas phase to several containment surfaces was investigated under a variety of conditions, with focus on the role of water on the adsorption of iodine onto epoxy paints. The results show that the relative humidity is very important to the deposition velocity of iodine on paint; higher humidity caused faster deposition. Adsorption parameters are a critical input for containment codes. • The formation of organic iodide from painted surfaces: gas chromatography was used to monitor the evolution of CH 3 I during the irradiation of epoxy coupons pre-loaded with iodine. The results showed that organic iodide formation is greater, and has a different temporal behaviour, when the iodine is absorbed by the paint from the aqueous phase as opposed to from the gas phase. The results also highlighted the importance of destruction of organic iodides by gas phase radiolysis to the concentration of CH 3 I. The BIP organic iodide production experiments were different, but complementary, to the experiments performed in the EPICUR (Experimental Program for Iodine Chemistry Under Radiation) facility. However, both projects share an objective of supporting the explanation of iodine behaviour in the Phébus Fission Product

  11. On the nature of gallium species in gallium-modified mordenite and MFI zeolites. A comparative DRIFT study of carbon monoxide adsorption and hydrogen dissociation.

    Science.gov (United States)

    Serykh, Alexander I; Kolesnikov, Stanislav P

    2011-04-21

    The results of a DRIFT study of carbon monoxide molecular adsorption and hydrogen dissociative adsorption on gallium-modified mordenite and MFI (ZSM-5) zeolites are presented. It was found that in the reduced gallium-modified mordenite (Ga-MOR) both Ga(3+) and Ga(+) exchanged cations are present and can be detected by CO adsorption. Ga(3+) cations in Ga-MOR dissociatively adsorb molecular hydrogen at elevated temperatures, resulting in the formation of gallium hydride species and acidic hydroxyl groups. In the reduced Ga-MFI evacuated at 823 K under medium vacuum conditions only Ga(+) exchanged intrazeolite cations were detected. It was found, however, that Ga(3+) intrazeolite exchanged cations which form upon high-temperature disproportionation of Ga(+) cations in the reduced Ga-MFI and Ga-MOR can be stabilized by high-temperature oxidation of these zeolites.

  12. The investigation of adsorption and dissociation of H2O on Li2O (111) by ab initio theory

    International Nuclear Information System (INIS)

    Kong, Xianggang; Yu, You; Ma, Shenggui; Gao, Tao; Lu, Tiecheng; Xiao, Chengjian; Chen, Xiaojun; Zhang, Chuanyu

    2017-01-01

    Highlights: • The adsorption structures of H 2 O on Li 2 O (111) are obtained by calculations. • By Bader charge analysis, the charge translation from slab to adsorbate is found. • The vibrational frequencies of adsorbate are in line with the experimental values. - Abstract: The adsorption and dissociation mechanism of H 2 O molecule on the Li 2 O (111) surface have been systematically studied by using the density functional theory calculations. The parallel and vertical configurations of H 2 O at six different symmetry adsorption sites on the Li 2 O (111) surface are considered. In our calculations, it is suggested that H 2 O can dissociate on the perfect Li 2 O surface, of which the corresponding adsorption energy is 1.118 eV. And the adsorption energy decrease to be 0.241 eV when oxygen atom of H 2 O bonds to lithium atom of the slab. The final configurations are sensitive to the initial molecular orientation. By Bader charge analysis, the charge transfer from slab to adsorbed H 2 O/OH can be found due to the downward shift of lowest-unoccupied molecular orbital. We also analyze the vibrational frequencies at the Brillouin Zone centre for H 2 O molecule adsorbed on the stoichiometric surface. Due to the slightly different structure parameters, the calculated values of the vibrational frequencies of hydroxyl group range from 3824 to 3767 cm −1 . Our results agree well with experimental results performed in FT-IR spectrum, which showed that an absorption peak of OH group appeared at 3677 cm −1 at room temperature.

  13. A computational study on the energetics and mechanisms for the dissociative adsorption of SiH{sub x}(x = 1–4) on W(1 1 1) surface

    Energy Technology Data Exchange (ETDEWEB)

    Lin, Y.H.; Raghunath, P.; Lin, M.C., E-mail: chemmcl@emory.edu

    2016-01-30

    Graphical abstract: - Highlights: • Behavior of the SiH{sub x} species on the W surface under cat-CVD conditions. • The adsorption and dissociation mechanisms of SiH{sub x}(x = 1–4) species on W(1 1 1) surface. • H-migration to its neighboring W atoms is more favorable compared to H{sub 2} elimination. - Abstract: The adsorption and dissociation mechanisms of SiH{sub x}(x = 1–4) species on W(1 1 1) surface have been investigated by using the periodic density functional theory with the projector-augmented wave approach. The adsorption of all the species on four surface sites: top (T), bridge (B), shallow (S), and deep (D) sites have been analyzed. For SiH{sub 4} on a top site, T-SiH{sub 4(a)}, it is more stable with an adsorption energy of 2.6 kcal/mol. For SiH{sub 3}, the 3-fold shallow site is most favorable with adsorption energy of 46.0 kcal/mol. For SiH{sub 2}, its adsorption on a bridge site is most stable with 73.0 kcal/mol binding energy, whereas for SiH and Si the most stable adsorption configurations are on 3-fold deep sites with very high adsorption energies, 111.8 and 134.7 kcal/mol, respectively. The potential energy surfaces for the dissociative adsorption of all SiH{sub x} species on the W(1 1 1) surface have been constructed using the CINEB method. The barriers for H-atom migration from SiH{sub x(a)} to its neighboring W atoms, preferentially on B-sites, were predicted to be 0.4, 1.0, 4.5 and, 8.0 kcal/mol, respectively, for x = 4, 3, 2, and 1, respectively. The adsorption energy of the H atom on a bridge site on the clean W(1 1 1) surface was predicted to be 65.9 kcal/mol, which was found to be slightly affected by the co-adsorption of SiH{sub x−1} within ± 1 kcal/mol.

  14. A computational study on the energetics and mechanisms for the dissociative adsorption of SiHx(x = 1-4) on W(1 1 1) surface

    Science.gov (United States)

    Lin, Y. H.; Raghunath, P.; Lin, M. C.

    2016-01-01

    The adsorption and dissociation mechanisms of SiHx(x = 1-4) species on W(1 1 1) surface have been investigated by using the periodic density functional theory with the projector-augmented wave approach. The adsorption of all the species on four surface sites: top (T), bridge (B), shallow (S), and deep (D) sites have been analyzed. For SiH4 on a top site, T-SiH4(a), it is more stable with an adsorption energy of 2.6 kcal/mol. For SiH3, the 3-fold shallow site is most favorable with adsorption energy of 46.0 kcal/mol. For SiH2, its adsorption on a bridge site is most stable with 73.0 kcal/mol binding energy, whereas for SiH and Si the most stable adsorption configurations are on 3-fold deep sites with very high adsorption energies, 111.8 and 134.7 kcal/mol, respectively. The potential energy surfaces for the dissociative adsorption of all SiHx species on the W(1 1 1) surface have been constructed using the CINEB method. The barriers for H-atom migration from SiHx(a) to its neighboring W atoms, preferentially on B-sites, were predicted to be 0.4, 1.0, 4.5 and, 8.0 kcal/mol, respectively, for x = 4, 3, 2, and 1, respectively. The adsorption energy of the H atom on a bridge site on the clean W(1 1 1) surface was predicted to be 65.9 kcal/mol, which was found to be slightly affected by the co-adsorption of SiHx-1 within ± 1 kcal/mol.

  15. Study of molecular iodine-epoxy paint mass transfer

    Energy Technology Data Exchange (ETDEWEB)

    Belval-Haltier, E [Inst. de Protection et Surete Nucleaire, IPSN, CEN Cadarache, St. Paul-lez-Durance (France)

    1996-12-01

    The mass transfer phenomena may have a significant influence on the quantity of I{sub 2} which could be released following a severe accident of a nuclear power plant and specially the mass transfer of iodine onto containment surfaces. So, the objective of the present work was to evaluate which phase limited the adsorption process of iodine onto gaseous epoxy paint under a range of conditions which may be relevant to a severe reactor accident. In this aim, a series of experiments was conducted in which the sorption kinetics of molecular iodine, labelled with {sup 131}I, was measured by monitoring continuously the accumulation of this species on the epoxy surface. For each test condition, the initial deposition velocity was determined and the corresponding gas phase mass transfer, kg, was estimated by using the heat transfer analogy for a laminar flow passing over a flat plate. Then, the surface reaction rate, Kr, was deduced from these two values. Experiments performed indicated that iodine adsorption onto epoxy paint is highly dependent on temperature, relative humidity of the carrier gas and moisture content of the painted coupon. In dry air flow conditions, the adsorption of iodine onto paint was found to increase with temperature and to be limited by the surface reaction rate, Kr. The I{sub 2} adsorption rate was found to increase with the humidity of carrier gas and in some studied conditions, the initial deposition velocity appeared to be controlled by gas phase mass transfer rather than surface interaction. The same phenomenon has been observed with an increase of the initial water content of the painted coupon. (author) 6 figs., 1 tab., 8 refs.

  16. ReaxFF Grand Canonical Monte Carlo simulation of adsorption and dissociation of oxygen on platinum (111)

    Science.gov (United States)

    Valentini, Paolo; Schwartzentruber, Thomas E.; Cozmuta, Ioana

    2011-12-01

    Atomic-level Grand Canonical Monte Carlo (GCMC) simulations equipped with a reactive force field (ReaxFF) are used to study atomic oxygen adsorption on a Pt(111) surface. The off-lattice GCMC calculations presented here rely solely on the interatomic potential and do not necessitate the pre-computation of surface adlayer structures and their interpolation. As such, they provide a predictive description of adsorbate phases. In this study, validation is obtained with experimental evidence (steric heats of adsorption and isotherms) as well as DFT-based state diagrams available in the literature. The ReaxFF computed steric heats of adsorption agree well with experimental data, and this study clearly shows that indirect dissociative adsorption of O2 on Pt(111) is an activated process at non-zero coverages, with an activation energy that monotonically increases with coverage. At a coverage of 0.25 ML, a highly ordered p(2 × 2) adlayer is found, in agreement with several low-energy electron diffraction observations. Isotherms obtained from the GCMC simulations compare qualitatively and quantitatively well with previous DFT-based state diagrams, but are in disagreement with the experimental data sets available. ReaxFF GCMC simulations at very high coverages show that O atoms prefer to bind in fcc hollow sites, at least up to 0.8 ML considered in the present work. At moderate coverages, little to no disorder appears in the Pt lattice. At high coverages, some Pt atoms markedly protrude out of the surface plane. This observation is in qualitative agreement with recent STM images of an oxygen covered Pt surface. The use of the GCMC technique based on a transferable potential is particularly valuable to produce more realistic systems (adsorbent and adsorbate) to be used in subsequent dynamical simulations (Molecular Dynamics) to address recombination reactions (via either Eley-Rideal or Langmuir-Hinshelwood mechanisms) on variously covered surfaces. By using GCMC and Molecular

  17. Adsorption of radioactive I2 gas onto fly-ash aerosol

    International Nuclear Information System (INIS)

    Noguchi, Hiroshi; Murata, Mikio; Suzuki, Katsumi.

    1988-01-01

    The adsorption of radioactive elemental iodine (I 2 ) gas onto fly-ash aerosol has been studied to provide basic data for the realistic and precise assessment of dose to the general public from radioiodine released from nuclear facilities. A mixture of fly-ash aerosol and 131 I 2 gas was passed through a cylindrical glass vessel so that particulate iodine was formed by adsorption of I 2 onto aerosol. Then the concentrations of I 2 and particulate iodine were measured. It was found that the adsorption reached an equilibrium state between 5 and 12 min and that the proportion of iodine which was adsorbed on the aerosol decreased with increasing initial I 2 concentration ranging over 10 -13 to 10 -9 g/cm 3 . The adsorption isotherm of the aerosol for I 2 gas approximately followed Freundlich isotherm. Using the adsorption isotherm, a theoretical equation was derived to explain the adsorption on the basis of FUCHS' theory on the evaporation of droplets. A sticking probability in the equation decreased with increasing adsorbed amount. The calculated results were in good agreement with the experimental ones. (author)

  18. Adsorption of radioactive I2 gas onto atmospheric aerosol

    International Nuclear Information System (INIS)

    Noguchi, Hiroshi; Murata, Mikio; Suzuki, Katsumi.

    1990-01-01

    Laboratory scale experiments on the adsorption of radioactive elemental iodine (I 2 ) gas onto atmospheric aerosol showed that the adsorption reached an equilibrium state in about twelve minutes at high initial I 2 concentrations. The proportion of iodine which was adsorbed on the aerosol gradually decreased with increading initial I 2 concentration ranging over 10 -13 to 10 -9 g/cm 3 at a reaction time of 31 min but was almost constant at a reaction time of 2 min. A fraction of iodine desorbed from particulate iodine as mainly I 2 gas. An adsorption isotherm of atmospheric aerosol for I 2 gas was estimated from the experimental data of long reaction time and high I 2 concentrations. Using this adsorption isotherm, a theoretical equation, which was similar to our previous equation, was derived to explain the experimental results. A geometric mean and standard deviation of sticking probability in the equation were estimated to be 1.2 x 10 -2 and 2.7, respectively. Almost all experimental data were within ranges of calculated results considering the geometric standard deviation of sticking probability. (author)

  19. Adsorption and possible dissociation of glucose by the [BN fullerene-B6]- magnetic nanocomposite. In silico studies

    Science.gov (United States)

    Anota, E. Chigo; Villanueva, M. Salazar; Shakerzadeh, E.; Castro, M.

    2018-02-01

    The adsorption, activation and possible dissociation of the glucose molecule on the magnetic [BN fullerene-B6]- system is performed by means of density functional theory calculations. Three models of magnetic nanocomposites were inspected: i) pristine BN fullerene, BN fullerene functionalized with a magnetic B6 cluster which generates two structures: ii) pyramidal (P) and iii) triangular (T). Chemical interactions of glucose appear for all these cases; however, for the BNF:B6(T)—glucose system, the interaction generates an effect of dissociation on glucose, due to the magnetic effects, since it has high spin multiplicity. The latter nanocomposite shows electronic behavior like-conductor and like-semi-conductor for the P and T geometries, respectively. Intrinsic magnetism associated to values of 1.0 magneton bohr (µB) for the pyramidal and 5.0 µB for the triangular structure, high polarity, and low-chemical reactivity are found for these systems. These interesting properties make these functionalized fullerenes a good option for being used as nano-vehicles for drug delivery. These quantum descriptors remain invariant when the [BN]-fullerene and [BNF:B6 (P) or (T)]- nanocomposites are interacting with the glucose molecule. According to the determined adsorption energy, chemisorption regimes occur in both the phases: gas and aqueous medium.

  20. Separation of iodine species by adsorption chromatography

    International Nuclear Information System (INIS)

    Machado, E.C.; Bellido Jr, A.V.

    2001-01-01

    Based on the different properties of iodide and iodate species in some sorption materials a new chromatographic method was developed to study the speciation of iodine in a mangrove system. Two sorption materials, alumina and silica, were investigated and several distribution coefficients for iodide and iodate were determined at different concentrations of NaOH, NaNO 3 and NaHCO 3 solutions. The best separation results were obtained percolating sea water samples, containing iodide species, through a glass column filled with alumina. The iodine passed through the column after washing the column with 0.1M sodium nitrate solution, and the iodate was eluted with a 0.5M sodium bicarbonate solution. (author)

  1. FY-2015 Methyl Iodide Deep-Bed Adsorption Test Report

    International Nuclear Information System (INIS)

    Soelberg, Nicholas Ray; Watson, Tony Leroy

    2015-01-01

    Nuclear fission produces fission and activation products, including iodine-129, which could evolve into used fuel reprocessing facility off-gas systems, and could require off-gas control to limit air emissions to levels within acceptable emission limits. Deep-bed methyl iodide adsorption testing has continued in Fiscal Year 2015 according to a multi-laboratory methyl iodide adsorption test plan. Updates to the deep-bed test system have also been performed to enable the inclusion of evaporated HNO 3 and increased NO 2 concentrations in future tests. This report summarizes the result of those activities. Test results showed that iodine adsorption from gaseous methyl iodide using reduced silver zeolite (AgZ) resulted in initial iodine decontamination factors (DFs, ratios of uncontrolled and controlled total iodine levels) under 1,000 for the conditions of the long-duration test performed this year (45 ppm CH3I, 1,000 ppm each NO and NO 2 , very low H 2 O levels [3 ppm] in balance air). The mass transfer zone depth exceeded the cumulative 5-inch depth of 4 bed segments, which is deeper than the 2-4 inch depth estimated for the mass transfer zone for adsorbing I 2 using AgZ in prior deep-bed tests. The maximum iodine adsorption capacity for the AgZ under the conditions of this test was 6.2% (6.2 g adsorbed I per 100 g sorbent). The maximum Ag utilization was 51%. Additional deep-bed testing and analyses are recommended to (a) expand the data base for methyl iodide adsorption and (b) provide more data for evaluating organic iodide reactions and reaction byproducts for different potential adsorption conditions.

  2. First-principles investigation of methanethiol adsorption and dissociation mechanisms on the high-Miller-index vicinal surface Cu(4 1 0)

    International Nuclear Information System (INIS)

    Raouafi, Faycal; Lassoued, Karima; Seydou, Mahamadou; Taleb, Abdelhafed; Diawara, Boubakar

    2016-01-01

    In this work, we present detailed investigations of methanethiol adsorption on a Cu(4 1 0) surface within the framework of the self-consistent first-principles calculations as implemented in the Vienna ab initio simulation package (VASP). In particular, the adsorption sites, the surface coverage rate and electronic properties have been determined and compared to experimental values. The results indicate that the favorable adsorption site in the case of low coverage rate is a bridge on the step followed by the hollow site on the terrace. The adsorption significantly affects the outermost layer of the surface mainly for a higher coverage rate in a (2  ×  2) supercell. The nature of the chemisorption process on the surface is analyzed by means of the density of states which, combined with charge density difference and atomic charge calculations, confirms the ionic character of the S–Cu bond. The specific effect of the presence of steps is highlighted by comparing the adsorption on the (1 0 0) terrace to the adsorption on the extended Cu(1 0 0) surface. Compared to the flat Cu(1 0 0), it is found here that while the stability is almost the same at p(2  ×  2) coverage, the CH 3 S/Cu(4 1 0) becomes more stable than CH 3 S/Cu(1 0 0) at c(2  ×  2) coverage with 0.30 eV per molecule. The mechanism of methanethiol dissociation is explored by the nudged elastic band method and demonstrates that the most favorable path is dissociation followed by migration of hydrogen from the step to its most stable position (hollow on the terrace) with energy barriers less than 0.5 eV. (paper)

  3. Iodine removing means

    International Nuclear Information System (INIS)

    Takeshima, Masaki.

    1975-01-01

    Object: To employ exhaust gas from an incinerator to effect regeneration of an adsorbent such as active carbon which has adsorbed a radioactive gas such as iodine contained in the ventilating system exhaust gas of a boiling water reactor power plant. Structure: Radioactive exhaust gas such as iodine, xenon and krypton is led to an active carbon adsorbing means for removal through adsorption. When the adsorbing function of the active carbon adsorption means is reduced, the exhaust gas discharged from the incinerator is cooled down to 300 0 C and then caused to flow into the active carbon layer, and after depriving it of sulfur dioxide gas, oxides of nitrogen, daughter nuclides resulting from attenuation of radioactive gas and so forth, these being adsorbed by the carbon active layer, it is led again to the incinerator, whereby the radioactivity accompanying the regenerated gas is sealed as ash within the incinerator. Further, similarly accompanying fine active carbon particles and the like are utilized as a heat source for the incinerator. (Kamimura, M.)

  4. Dynamics of dissociative adsorption of hydrogen on Ni(100)

    International Nuclear Information System (INIS)

    Hamza, A.V.; Madix, R.J.

    1985-01-01

    Nearly monoenergetic beams of hydrogen and deuterium were used to determine dissociative sticking probabilities for H 2 and D 2 on Ni(100) at various energies. Variation of the surface temperature between 90 and 300 K had no effect on the dissociative sticking probability of H 2 at 3.6 and 5.8 kJ/mol incident beam energy, indicating a direct mechanism of dissociation. A four fold increase in the initial dissociative sticking probability for H 2 from 0.2 to 0.8 was observed by increasing the translational kinetic energy from 0.7 to 7.0 kJ/mol. The initial dissociative sticking probability for D 2 was slightly lower, increasing from 0.15 to 0.75 with increasing translational kinetic energy from 1.3 to 10.5 kJ/mol. The form of the increase with kinetic energy was explained by tunnelling through a low activation barrier, accounting as well for the high dissociation probability at low kinetic energies. The dissociative sticking probability decreased with hydrogen or deuterium adatom coverage at all energies. The decline in sticking probability with hydrogen coverage was fit to a s(theta) = s 0 (1 - a theta)/sup n/ functional form. From this relationship it was deduced that hydrogen adatoms block only single sites and that four vacant sites are needed for dissociation. The dissociative sticking probability for H 2 declined precipitously from 0.77 to 0.16 with oxygen adatom coverage from 0 to 5% of a monolayer at a translational energy of 9.6 kJ.mol. 36 references, 8 figures

  5. Adsorption and dissociation of sulfur-based toxic gas molecules on silicene nanoribbons: a quest for high-performance gas sensors and catalysts.

    Science.gov (United States)

    Walia, Gurleen Kaur; Randhawa, Deep Kamal Kaur

    2018-03-16

    The adsorption behavior of sulfur-based toxic gases (H 2 S and SO 2 ) on armchair silicene nanoribbons (ASiNRs) was investigated using first-principles density functional theory (DFT). Being a zero band gap material, application of bulk silicene is limited in nanoelectronics, despite its high carrier mobility. By restricting its dimensions into one dimension, construction of nanoribbons, and by introduction of a defect, its band gap can be tuned. Pristine armchair silicene nanoribbons (P-ASiNRs) have a very low sensitivity to gas molecules. Therefore, a defect was introduced by removal of one Si atom, leading to increased sensitivity. To deeply understand the impact of the aforementioned gases on silicene nanoribbons, electronic band structures, density of states, charge transfers, adsorption energies, electron densities, current-voltage characteristics and most stable adsorption configurations were calculated. H 2 S is dissociated completely into HS and H species when adsorbed onto defective armchair silicene nanoribbons (D-ASiNRs). Thus, D-ASiNR is a likely catalyst for dissociation of the H 2 S gas molecule. Conversely, upon SO 2 adsorption, P-ASiNR acts as a suitable sensor, whereas D-ASiNR provides enhanced sensitivity compared with P-ASiNR. On the basis of these results, D-ASiNR can be expected to be a disposable sensor for SO 2 detection as well as a catalyst for H 2 S reduction. Graphical abstract Comparison of I-V characteristics of pristine and defective armchair silicene nanoribbons with H 2 S and SO 2 adsorbed on them.

  6. FY-2015 Methyl Iodide Deep-Bed Adsorption Test Report

    Energy Technology Data Exchange (ETDEWEB)

    Soelberg, Nicholas Ray [Idaho National Lab. (INL), Idaho Falls, ID (United States); Watson, Tony Leroy [Idaho National Lab. (INL), Idaho Falls, ID (United States)

    2015-09-30

    Nuclear fission produces fission and activation products, including iodine-129, which could evolve into used fuel reprocessing facility off-gas systems, and could require off-gas control to limit air emissions to levels within acceptable emission limits. Deep-bed methyl iodide adsorption testing has continued in Fiscal Year 2015 according to a multi-laboratory methyl iodide adsorption test plan. Updates to the deep-bed test system have also been performed to enable the inclusion of evaporated HNO3 and increased NO2 concentrations in future tests. This report summarizes the result of those activities. Test results showed that iodine adsorption from gaseous methyl iodide using reduced silver zeolite (AgZ) resulted in initial iodine decontamination factors (DFs, ratios of uncontrolled and controlled total iodine levels) under 1,000 for the conditions of the long-duration test performed this year (45 ppm CH3I, 1,000 ppm each NO and NO2, very low H2O levels [3 ppm] in balance air). The mass transfer zone depth exceeded the cumulative 5-inch depth of 4 bed segments, which is deeper than the 2-4 inch depth estimated for the mass transfer zone for adsorbing I2 using AgZ in prior deep-bed tests. The maximum iodine adsorption capacity for the AgZ under the conditions of this test was 6.2% (6.2 g adsorbed I per 100 g sorbent). The maximum Ag utilization was 51%. Additional deep-bed testing and analyses are recommended to (a) expand the data base for methyl iodide adsorption and (b) provide more data for evaluating organic iodide reactions and reaction byproducts for different potential adsorption conditions.

  7. The investigation of adsorption and dissociation of H{sub 2}O on Li{sub 2}O (111) by ab initio theory

    Energy Technology Data Exchange (ETDEWEB)

    Kong, Xianggang [Institute of Atom and Molecular physics, Sichuan University, Chengdu, 610065 (China); Yu, You [College of Optoelectronic Technology, Chengdu University of Information Technology, Chengdu, 610225 (China); Ma, Shenggui [Institute of Atom and Molecular physics, Sichuan University, Chengdu, 610065 (China); Gao, Tao, E-mail: gaotao@scu.edu.cn [Institute of Atom and Molecular physics, Sichuan University, Chengdu, 610065 (China); Lu, Tiecheng [Department of Physics and Key Laboratory for Radiation Physics & Technology of Ministry of Education, Sichuan University, Chengdu, 610065 (China); Xiao, Chengjian; Chen, Xiaojun [Institute of Nuclear Physics and Chemistry, China Academy of Engineering Physics, Mianyang, 621900 (China); Zhang, Chuanyu [College of Geophysics, Chengdu University of Technology, Chengdu, 610059 (China)

    2017-06-15

    Highlights: • The adsorption structures of H{sub 2}O on Li{sub 2}O (111) are obtained by calculations. • By Bader charge analysis, the charge translation from slab to adsorbate is found. • The vibrational frequencies of adsorbate are in line with the experimental values. - Abstract: The adsorption and dissociation mechanism of H{sub 2}O molecule on the Li{sub 2}O (111) surface have been systematically studied by using the density functional theory calculations. The parallel and vertical configurations of H{sub 2}O at six different symmetry adsorption sites on the Li{sub 2}O (111) surface are considered. In our calculations, it is suggested that H{sub 2}O can dissociate on the perfect Li{sub 2}O surface, of which the corresponding adsorption energy is 1.118 eV. And the adsorption energy decrease to be 0.241 eV when oxygen atom of H{sub 2}O bonds to lithium atom of the slab. The final configurations are sensitive to the initial molecular orientation. By Bader charge analysis, the charge transfer from slab to adsorbed H{sub 2}O/OH can be found due to the downward shift of lowest-unoccupied molecular orbital. We also analyze the vibrational frequencies at the Brillouin Zone centre for H{sub 2}O molecule adsorbed on the stoichiometric surface. Due to the slightly different structure parameters, the calculated values of the vibrational frequencies of hydroxyl group range from 3824 to 3767 cm{sup −1}. Our results agree well with experimental results performed in FT-IR spectrum, which showed that an absorption peak of OH group appeared at 3677 cm{sup −1} at room temperature.

  8. Molecular oxygen adsorption and dissociation on Au12M clusters with M = Cu, Ag or Ir

    Science.gov (United States)

    Jiménez-Díaz, Laura M.; Pérez, Luis A.

    2018-03-01

    In this work, we present a density functional theory study of the structural and electronic properties of isolated neutral clusters of the type Au12M, with M = Cu, Ag, or Ir. On the other hand, there is experimental evidence that gold-silver, gold-copper and gold-iridium nanoparticles have an enhanced catalytic activity for the CO oxidation reaction. In order to address these phenomena, we also performed density functional calculations of the adsorption and dissociation of O2 on these nanoparticles. Moreover, to understand the effects of Cu, Ag, and Ir impurity atoms on the dissociation of O2, we also analyze this reaction in the corresponding pure gold cluster. The results indicate that the substitution of one gold atom in a Au13 cluster by Ag, Cu or Ir diminishes the activation energy barrier for the O2 dissociation by nearly 1 eV. This energy barrier is similar for Au12Ag and Au12Cu, whereas for Au12Ir is even lower. These results suggest that the addition of other transition metal atoms to gold nanoclusters can enhance their catalytic activity towards the CO oxidation reaction, independently of the effect that the substrate could have on supported nanoclusters.

  9. The distribution and transformations of iodine in the environment

    International Nuclear Information System (INIS)

    Whitehead, D.C.

    1984-01-01

    Iodine in the atmosphere is derived largely from seawater. It is probable that the biological production of methyl iodide is important in this transfer. Subsequent photolytic dissociation and oxidation of the methyl iodide, together with other inputs, with partial sorption of the products by aerosols, results in the atmospheric iodine being distributed between various gaseous and particulate forms. Atmospheric iodine is the major source of the iodine in soils, and the process of enrichment continues throughout soil formation and development until ultimately an equilibrium concentration is attained. The atmosphere is also a direct source of iodine for plants, and in some situations may be more important than the soil. Iodine may be lost from soils by leaching, volatilization, and removal in crops. The amounts of iodine reported in groundwaters, and in rivers and lakes remote from human activity, suggest that some leaching of iodine is widespread. Increased amounts of iodine occur in rivers receiving effluent from sewage works. Milk and milk products are now major dietary sources of iodine because their content is often increased by concentrate feedingstuffs supplemented with iodine and/or by the use in dairies of iodophor detergents and sterilants. (author)

  10. Inter-row Adsorption Configuration and Stability of Threonine Adsorbed on the Ge(100) Surfaces

    International Nuclear Information System (INIS)

    Lee, Myungjin; Park, Youngchan; Jeong, Hyuk; Lee, Hangil

    2013-01-01

    The adsorption structures of threonine on the Ge(100) surface were investigated using core-level photoemission spectroscopy (CLPES) in conjunction with density functional theory (DFT) calculations. CLPES measurements were performed to identify the experimentally preferred adsorption structure. The preferred structure indicated the relative reactivities of the carboxyl and hydroxymethyl groups as electron donors to the Ge(100) surface during adsorption. The core-level C 1s, N 1s, and O 1s CLPES spectra indicated that the carboxyl oxygen competed more strongly with the hydroxymethyl oxygen during the adsorption reaction. Three among six possible adsorption structures were identified as energetically favorable using DFT calculation methods that considered the inter- and intra-bonding configurations upon adsorption onto the Ge(100) surface. These structures were O-H dissociated N dative inter bonding, O-H dissociated N dative intra bonding, O-H dissociation bonding. One of the adsorption structures: O-H dissociated N dative inter bonding was predicted to be stable in light of the transition state energies. We thus confirmed that the most favorable adsorption structure is the O-H dissociated N dative-inter bonding structure using CLPES and DFT calculation

  11. The sorption of iodine by an inorganic zinc primer

    Energy Technology Data Exchange (ETDEWEB)

    Evans, G J; Bekeris, P A [Toronto Univ., ON (Canada). Dept. of Chemical Engineering and Applied Chemistry

    1996-12-01

    The purpose of this work was to identify and evaluate significant parameters in the sorption of I{sub 2}(g) onto Carbo Zinc 11 inorganic primer, a paint used in the containment structure of some CANDU reactors. Air containing known amounts of {sup 131}I{sub 2}(g) was passed through 0.64 cm diameter glass tubing coated on the inner surface with paint. The accumulation of iodine on the surface was continuously monitored using two scintillation detectors. The test parameters covered were relative humidity, flow rate, I{sub 2} concentration and paint temperature. Adsorption was rapid at 23{sup o}C and predominantly gas phase mass transfer limited: the deposition velocity of 0.7{+-}0.4 cm/s was similar to the gas phase mass transfer coefficient of 1.2 cm/s estimated for the system. The deposition velocity observed at a higher paint surface temperature was an order of magnitude smaller. A similar deposition velocity was observed at 23{sup o}C for adsorption of I{sub 2}(g) from essentially dry air suggesting that the low deposition velocity observed for high surface temperature was limited by the amount of water on the paint surface. The rate of adsorption on the paint was directly proportional to the I{sub 2}(g) concentration over the range in concentration studied. The majority of the iodine retained by the paint could not be removed by washing with methanol or chloroform, but it was removed by water indicating that it was in an ionic form. Analysis of the speciation of the iodine in the wash water indicated that only a third of it was in the form of I{sup -}; the form of the remaining iodine could not be resolved. Desorption from the paint was negligible at room temperature but was detectable at higher temperatures. These low desorption rates and the ionic nature of the surface iodine indicated that adsorption occurred predominantly through a chemisorption process. A number of possible mechanisms were proposed. (author) 5 figs., 2 tabs., 6 refs.

  12. Controlling Solid–Liquid Conversion Reactions for a Highly Reversible Aqueous Zinc–Iodine Battery

    Energy Technology Data Exchange (ETDEWEB)

    Pan, Huilin; Li, Bin; Mei, Donghai; Nie, Zimin; Shao, Yuyan; Li, Guosheng; Li, Xiaohong S.; Han, Kee Sung; Muller, Karl T.; Sprenkle, Vincent L.; Liu, Jun

    2017-10-30

    Aqueous rechargeable batteries are desirable for many energy storage applications due to their low cost and high safety. However, low capacity and short cycle life are the significant obstacles to their practical applications. Here, we demonstrate a highly reversible aqueous zinc-iodine battery using encapsulated iodine in microporous active carbon fibers (ACFs) as cathode materials through the rational control of solid-liquid conversion reactions. The experiments and density function theory (DFT) calculations were employed to investigate the effects of solvents and properties of carbon hosts, e.g. pore size, surface chemistries, on the adsorption of iodine species. The rational manipulation of the competition between the adsorption in carbon and solvation in electrolytes for iodine species is responsible for the high reversibility and cycling stability. The zinc-iodine batteries deliver a high capacity of 180 mAh g-1 at 1C and a stable cycle life over 3000 cycles with ~90% capacity retention as well as negligible self-discharge. We believe the principles for stabilizing the zinc-iodine system could provide new insight into conversion systems such as Li-S systems.

  13. SFG study of methanol dissociative adsorption at Pt(1 0 0), Pt(1 1 0) and Pt(1 1 1) electrodes surfaces

    Science.gov (United States)

    Vidal, F.; Busson, B.; Six, C.; Pluchery, O.; Tadjeddine, A.

    2002-04-01

    The Pt( hkl)/methanol in acidic solution interface which constitutes a model of the anodic part of a fuel cell is studied by infrared-visible sum frequency generation vibrational spectroscopy. Methanol dissociative adsorption leads to CO poisoning of the Pt electrode surfaces. The structure of the CO/Pt( hkl) interface depends strongly on the orientation of the surface electrode.

  14. Dissociative adsorption of environment-friendly insulating medium C3F7CN on Cu(111) and Al(111) surface: A theoretical evaluation

    Science.gov (United States)

    Zhang, Xiaoxing; Li, Yi; Chen, Dachang; Xiao, Song; Tian, Shuangshuang; Tang, Ju; Wang, Dibo

    2018-03-01

    SF6 is extensively used in electrical applications because of its excellent insulation and arc extinguishing performance, but its strong greenhouse effect has negative impact on the atmosphere. The excellent performance of C3F7CN in greenhouse effect, insulation ability, safety, and thermal stability has been demonstrated, indicating that this compound can replace SF6 in electrical applications. However, little information is available on the compatibility of C3F7CN with metals, such as copper and aluminum, in devices. Material compatibility between new gas mixtures and materials used in Gas Insulated Switchgear (GIS) should be investigated to determine the long-term behavior of materials. In this paper, dissociative adsorption of C3F7CN on Cu (1 1 1) and Al (1 1 1) surfaces were analyzed based on density functional theory. Adsorption energy, charge transfer, density of states, and electron density difference of interaction between C3F7CN and two metals were analyzed. It was found that the adsorption energy of C3F7CN adsorbed on Cu (1 1 1) and Al (1 1 1) is both below 0.8 eV. This value indicates that the interaction between them is not very strong. In addition, the dissociation reaction path of gas molecules after adsorption requires certain activation energy. Therefore, C3F7CN and copper or aluminum have certain compatibility and the compatibility of C3F7CN with aluminum is better than that of copper. Related results provide a reference for predicting the aging mechanism of equipment and the selection or modification of major materials for equipment.

  15. O{sub 2} adsorption and dissociation on the Pd{sub 13-n}Ni{sub n}@Pt{sub 42} (n = 0, 1, 12, and 13) tri-metallic nanoparticles: A DFT study

    Energy Technology Data Exchange (ETDEWEB)

    Li, Sha; Yang, Yongpeng; Huang, Shiping, E-mail: huangsp@mail.buct.edu.cn

    2017-07-15

    Highlights: • O{sub 2} adsorption and dissociation on Pd{sub 13-n}Ni{sub n}@Pt{sub 42} NPs are performed by DFT. • Adsorption energies of O{sub 2} and O are strongly affected by the coordination number. • Adsorption energy and d-band center displays the opposite change tendency. • Ni{sub 13}@Pt{sub 42} is the most active catalyst among Pd{sub 13-n}Ni{sub n}@Pt{sub 42} (n = 0, 1, 12, and 13) NPs. - Abstract: Density functional theory calculations are performed to investigate O{sub 2} adsorption and dissociation on the icosahedral Pd{sub 13-n}Ni{sub n}@Pt{sub 42} (n = 0, 1, 12, and 13) tri-metallic nanoparticles. The parallel adsorption of O{sub 2} on Pd{sub 13-n}Ni{sub n}@Pt{sub 42} (n = 0, 1, 12, and 13) is stronger than the vertical adsorption. The adsorption of O{sub 2} on the bridge site (B1) is favorable in the Pd{sub 13-n}Ni{sub n}@Pt{sub 42} (n = 0, 1, 12, and 13) nanoparticles, while the adsorption of O atom on the hollow site (H1) is preferred. The adsorption energies of O{sub 2} and O are strongly affected by the coordination number. Low coordination site shows strong adsorption of O{sub 2} and O on the Pd{sub 13-n}Ni{sub n}@Pt{sub 42} (n = 0, 1, 12, and 13) nanoparticles. The adsorption energies of O{sub 2} and O atoms are found to be correlated well with the d-band center of surface Pt. For the Pd{sub 13-n}Ni{sub n}@Pt{sub 42} (n = 0, 1, 12, and13) nanoparticles catalysts, the ORR activity follows the order of Ni{sub 13}@Pt{sub 42} > Pd{sub 13}@Pt{sub 42} > Pd{sub 12}Ni{sub 1}@Pt{sub 42} > Pd{sub 1}Ni{sub 12}@Pt{sub 42}, illustrating that the Ni{sub 13}@Pt{sub 42} is the strongest ORR activity among the Pd{sub 13-n}Ni{sub n}@Pt{sub 42} (n = 0, 1, 12, and13) nanoparticles catalysts. Our results have important significance to understand the mechanism of O{sub 2} dissociation on the Pd{sub 13-n}Ni{sub n}@Pt{sub 42} (n = 0, 1, 12, and 13) tri-metallic nanoparticles.

  16. Theoretical insights into the effect of terrace width and step edge coverage on CO adsorption and dissociation over stepped Ni surfaces.

    Science.gov (United States)

    Yang, Kuiwei; Zhang, Minhua; Yu, Yingzhe

    2017-07-21

    Vicinal surfaces of Ni are model catalysts of general interest and great importance in computational catalysis. Here we report a comprehensive study conducted with density functional theory on Ni[n(111) × (100)] (n = 2, 3 and 4) surfaces to explore the effect of terrace width and step edge coverage on CO adsorption and dissociation, a probe reaction relevant to many industrial processes. The coordination numbers (CN), the generalized coordination numbers and the d band partial density of states (d-PDOS) of Ni are identified as descriptors to faithfully reflect the difference of the step edge region for Ni[n(111) × (100)]. Based on analysis of the energy diagrams for CO activation and dissociation as well as the structural features of the Ni(311), Ni(211) and Ni(533) surfaces, Ni(211) (n = 3) is proposed as a model of adequate representativeness for Ni[n(111) × (100)] (n≥ 3) surface groups in investigating small molecule activation over such stepped structures. Further, a series of Ni(211) surfaces with the step edge coverage ranging from 1/4 to 1 monolayer (ML) were utilized to assess their effect on CO activation. The results show that CO adsorption is not sensitive to the step edge coverage, which could readily approach 1 ML under a CO-rich atmosphere. In contrast, CO dissociation manifests strong coverage dependence when the coverage exceeds 1/2 ML, indicating that significant adsorbate-adsorbate interactions emerge. These results are conducive to theoretical studies of metal-catalyzed surface processes where the defects play a vital role.

  17. DFT study of adsorption and dissociation of thiophene molecules on Ni(1 1 0)

    Science.gov (United States)

    Morin, C.; Eichler, A.; Hirschl, R.; Sautet, P.; Hafner, J.

    2003-08-01

    The different adsorption possibilities of thiophene (C 4H 4S) on the Ni(1 1 0) surface have been studied using first principle local-density-functional calculations, with the Vienna ab initio simulation package, which is based on a plane wave basis set and projector augmented wave potentials. For each configuration, a geometric optimisation has been performed. A detailed analysis of the structural and electronic properties of the molecule and the surface in the most stable conformations is presented, showing the combined roles of the molecular distortion and the interactions between the molecule and the surface. Three structures with comparatively large adsorption energies are identified, all with the molecule plane parallel to the surface. Starting from these stabilised structures, various scenarios for the desulfurisation process have been envisaged. While, for the most stable structure, the formation of an adsorbed thiol is an activated process, with an energetic barrier of 0.70 eV, the two structures which are just a bit less stable can dissociate to a C 4H 4 species and a sulfur atom with barriers as low as 0.07 eV. A description of the different transition states and a kinetic analysis of the desulfurisation reaction is also presented.

  18. Innovative nanoporous carbons with ultrahigh uptakes for capture and reversible storage of CO{sub 2} and volatile iodine

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Hanxue; La, Peiqing [College of Petrochemical Technology, Lanzhou University of Technology, Langongping Road 287, Lanzhou 730050, PR China (China); Yang, Ruixia [State Key Laboratory of Molecular Reaction Dynamics, Dalian National Laboratory for Clean Energy, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023 (China); Zhu, Zhaoqi; Liang, Weidong; Yang, Baoping [College of Petrochemical Technology, Lanzhou University of Technology, Langongping Road 287, Lanzhou 730050, PR China (China); Li, An, E-mail: lian2010@lut.cn [College of Petrochemical Technology, Lanzhou University of Technology, Langongping Road 287, Lanzhou 730050, PR China (China); Deng, Weiqiao, E-mail: dengwq@dicp.ac.cn [State Key Laboratory of Molecular Reaction Dynamics, Dalian National Laboratory for Clean Energy, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023 (China)

    2017-01-05

    Highlights: • Cigarette filter was utilized to prepare highly porous carbons as super absorbents. • The porous carbons exhibit excellent iodine uptake. • The porous carbons show high CO{sub 2} adsorption capacity of 6.0 mmol g{sup −1} at 273 K. - Abstract: Porous carbons as solid-state adsorbents have recently attracted considerable interest in the areas of storage and capture of CO{sub 2} as well as the adsorption of radioactive matters. In this work, cigarette butts, one kind of common wastes referring to the filters, were utilized to prepare highly porous carbons by KOH activation in argon atmosphere. The resulting porous carbon shows a high specific surface area of up to 2751 m{sup 2} g{sup −1} with abundant micropores. The resulting porous carbon exhibits excellent iodine uptake of 262 wt% and high CO{sub 2} adsorption capacity of 6.0 mmol g{sup −1} at ambient pressure and 273 K, which both are among the highest values reported to date. Given these excellent iodine uptake, CO{sub 2} adsorption capacity, ease of preparation as well as good physiochemical stability, the porous carbons derived from cigarette butts show great potential in the reversible adsorption of radioactive iodine and CO{sub 2}.

  19. Apparatus for eliminating radioactive iodine from off-gases in a nuclear fuel reprocessing plant

    International Nuclear Information System (INIS)

    Kondo, Yoshikazu; Kurihara, Koichi.

    1983-01-01

    Purpose: To improve the eliminating efficiency of an iodine eliminating apparatus using a dry process. Constitution: A hydrogen iodide conversion device and an organic iodine decomposing device are disposed prior to and subsequent to an adsorption tower using adsorbents for the removal of the iodine in a processing gas line through which radioactive iodine containing gases are passed. Elementary iodine and organic iodine can be eliminated by such simple devices. In the case of the dry processing by using the adsorbents, those adsorbents incorporated with inexpensive metal such as lead and copper can be used for the removal of the organic iodine and the radioactive iodine-adsorbing material can be processed as wastes, whereby iodine can effectively be eliminated at a reduced cost. (Moriyama, K.)

  20. Chromatographic separation of Iodine species for environmental studies

    Energy Technology Data Exchange (ETDEWEB)

    Machado, E.C. [Universidade Federal Fluminense, Niteroi, RJ (Brazil). Dept. de Geoquimica]. E-mail: geoedin@vm.uff.br; Bellido, A.V.B. [Universidade Federal Fluminense, Niteroi, RJ (Brazil). Dept. de Fisico-Quimica]. E-mail: alf@risc2.rmn.uff.br; Bellido, L.F. [Comissao Nacional de Energia Nuclear (CNEN), Rio de Janeiro, RJ (Brazil)]. E-mail: lbellido@cnen.gov.br

    1999-07-01

    In this work a experimental method was developed to separate iodine species from environmental samples by using adsorption chromatography. The radionuclide {sup 123} I which has a half-life of 13 h and a convenient gamma ray of 159 keV was used to investigate a fast and efficient procedure for the separation of iodide and iodate ions in seawater from mangrove samples. The radio-iodine tracer technique is very useful, particularly in kinetic studies because it is easy to detect without any interference of concentration due to the small amount of tracer that is spiked. It is also possible to add two tracers (I-123 and I-131) in different oxidation states. Three chromatographic methods were studied: paper, thin layer and adsorption chromatography with silica and alumina. It was found that paper chromatography is very useful for checking the valence adjustment of the radioiodine species. Initially, several coefficient distributions of iodine species by adsorption in silica and alumina from NaOH, NaHCO{sub 3} and NaNO{sub 3} solutions (in the range 05. - 0.0001 m) were determined. The best separation so far was achieved by loading the sample (after adjusting the concentration to 0.1 NNaNO{sub 3}) into a chromatographic column with Al{sub 2} O{sub 3}. The iodide passes through the column and after washing the column, the iodate was removed by eluting with 1.0 M NaHCO{sub 3} solution. (author)

  1. Chromatographic separation of Iodine species for environmental studies

    International Nuclear Information System (INIS)

    Machado, E.C.

    1999-01-01

    In this work a experimental method was developed to separate iodine species from environmental samples by using adsorption chromatography. The radionuclide 123 I which has a half-life of 13 h and a convenient gamma ray of 159 keV was used to investigate a fast and efficient procedure for the separation of iodide and iodate ions in seawater from mangrove samples. The radio-iodine tracer technique is very useful, particularly in kinetic studies because it is easy to detect without any interference of concentration due to the small amount of tracer that is spiked. It is also possible to add two tracers (I-123 and I-131) in different oxidation states. Three chromatographic methods were studied: paper, thin layer and adsorption chromatography with silica and alumina. It was found that paper chromatography is very useful for checking the valence adjustment of the radioiodine species. Initially, several coefficient distributions of iodine species by adsorption in silica and alumina from NaOH, NaHCO 3 and NaNO 3 solutions (in the range 05. - 0.0001 m) were determined. The best separation so far was achieved by loading the sample (after adjusting the concentration to 0.1 NNaNO 3 ) into a chromatographic column with Al 2 O 3 . The iodide passes through the column and after washing the column, the iodate was removed by eluting with 1.0 M NaHCO 3 solution. (author)

  2. Study on adsorption behavior of radioiodine gas using incense stick aerosol

    International Nuclear Information System (INIS)

    Murata, Mikio; Noguchi, Hiroshi; Kato, Shohei; Kokubu, Morinobu

    1987-01-01

    Adsorption of radioactive elemental iodine gas ( 131 I 2 ) on incense stick aerosol particles has been studied to provide basic data for a realistic and precise assessment of dose to the public due to radioiodine released from nuclear facilities. A mixture of iodine gas and aerosol was passed once through a glass vessel to cause the adsorption reaction. The adsorption was studied at different reaction times, initial I 2 gas concentrations and particle number concentrations. The results showed that the adsorption reached an equilibrium in about 2 min at the initial I 2 gas concentration of 10 -10 g/cm 3 . The proportion of iodine adsorbed by the aerosol particles was almost constant, about 25 % at the initial I 2 gas concentrations below 10 -11 g/cm 3 and at the reaction time of 1 min, and decreased with increase of the initial concentration over 10 -11 g/cm 3 . The adsorption isotherm of the aerosol for the gas was obtained from the experimental data. The semi-empirical equations to explain the adsorption reaction were also obtained based on the experimental data and the FUCHS's equation relating to vaporization of a droplet. The sticking probability in the equations was estimated to be 7.6 x 10 -3 . The calculated results using the equations were in good agreement with the experimental ones. (author)

  3. Mechanism of pulse discharge production of iodine atoms from CF3I molecules for a chemical oxygen-iodine laser

    International Nuclear Information System (INIS)

    Kochetov, I V; Napartovich, A P; Vagin, N P; Yuryshev, N N

    2009-01-01

    The pulsed chemical oxygen-iodine laser (COIL) development is aimed at many new applications. Pulsed electric discharge is most effective in turning COIL operation into the pulse mode by instant production of iodine atoms. A numerical model is developed for simulations of the pulsed COIL initiated by an electric discharge. The model comprises a system of kinetic equations for neutral and charged species, electric circuit equation, gas thermal balance equation and the photon balance equation. Reaction rate coefficients for processes involving electrons are found by solving the electron Boltzmann equation, which is re-calculated in a course of computations when plasma parameters changed. The processes accounted for in the Boltzmann equation include excitation and ionization of atoms and molecules, dissociation of molecules, electron attachment processes, electron-ion recombination, electron-electron collisions, second-kind collisions and stepwise excitation of molecules. The last processes are particularly important because of a high singlet oxygen concentration in gas flow from the singlet oxygen chemical generator. Results of numerical simulations are compared with experimental laser pulse waveforms. It is concluded that there is satisfactory agreement between theory and the experiment. The prevailing mechanism of iodine atom formation from the CF 3 I donor in a very complex kinetic system of the COIL medium under pulse discharge conditions, based on their detailed numerical modelling and by comparing these results both with experimental results of other authors and their own experiments, is established. The dominant iodine atom production mechanism for conditions under study is the electron-impact dissociation of CF 3 I molecules. It was proved that in the conditions of the experiment the secondary chemical reactions with O atoms play an insignificant role.

  4. Adsorption and revaporisation studies of thin iodine oxide and CsI aerosol deposits from containment surface materials in LWRs

    Energy Technology Data Exchange (ETDEWEB)

    Tietze, S.; Foreman, M.; Ekberg, C. [Chalmers Univ. of Technology, Goeteborg (Sweden); Kaerkelae, T.; Auvinen, A.; Tapper, U.; Jokiniemi, J. [VTT Technical Research Centre of Finland, Espoo (Finland)

    2013-07-15

    During a severe nuclear accident released fission and radiolysis products can react with each other to form new species which might contribute to the volatile source term. Iodine will be released from UO2 fuel mainly in form as CsI aerosol particles and elemental iodine. Elemental iodine can react in gaseous phase with ozone to form solid iodine oxide aerosol particles (IOx). Within the AIAS-2 (Adsorption of Iodine Aerosols on Surfaces) project the interactions of IOx and CsI aerosols with common containment surface materials was investigated. Common surface materials in Swedish and Finnish LWRs are Teknopox Aqua V A paint films and metal surfaces such as Cu, Zn, Al and SS. Non-radioactive and {sup 131}I labelled aerosols were produced from a KI solution and ozone with a new facility designed and built at VTT Technical Research Centre of Finland. CsI aerosols were produced from a CsI solution with the same facility. A monolayer of the aerosols was deposited on the surfaces. The deposits were analysed with microscopic and spectroscopic measurement techniques to identify the chemical form of the deposits on the surfaces to identify if a chemical conversion on the different surface materials had occured. The revaporisation behaviour of the deposited aerosol particles from the different surface materials was studied under the influence of heat, humidity and gamma irradiation at Chalmers University of Technology, Sweden. Studies on the effects of humidity were performed using the FOMICAG facility, while heat and irradiation experiments were performed in a thermostated heating block and with a gammacell 22 with a dose rate of 14 kGy/h. The revaporisation losses were measured using a HPGe detector. The decomposition effect of the radiolysis product carbon monoxide was tested on IOx aerosols deposited on a glass fibre filter. Iodine oxide particles were produced at 50 deg. C, 100 deg. C and 120 deg. C and deposited on filter samples in order to study the chemical

  5. Adsorption and revaporisation studies of thin iodine oxide and CsI aerosol deposits from containment surface materials in LWRs

    International Nuclear Information System (INIS)

    Tietze, S.; Foreman, M.; Ekberg, C.; Kaerkelae, T.; Auvinen, A.; Tapper, U.; Jokiniemi, J.

    2013-07-01

    During a severe nuclear accident released fission and radiolysis products can react with each other to form new species which might contribute to the volatile source term. Iodine will be released from UO2 fuel mainly in form as CsI aerosol particles and elemental iodine. Elemental iodine can react in gaseous phase with ozone to form solid iodine oxide aerosol particles (IOx). Within the AIAS-2 (Adsorption of Iodine Aerosols on Surfaces) project the interactions of IOx and CsI aerosols with common containment surface materials was investigated. Common surface materials in Swedish and Finnish LWRs are Teknopox Aqua V A paint films and metal surfaces such as Cu, Zn, Al and SS. Non-radioactive and 131 I labelled aerosols were produced from a KI solution and ozone with a new facility designed and built at VTT Technical Research Centre of Finland. CsI aerosols were produced from a CsI solution with the same facility. A monolayer of the aerosols was deposited on the surfaces. The deposits were analysed with microscopic and spectroscopic measurement techniques to identify the chemical form of the deposits on the surfaces to identify if a chemical conversion on the different surface materials had occured. The revaporisation behaviour of the deposited aerosol particles from the different surface materials was studied under the influence of heat, humidity and gamma irradiation at Chalmers University of Technology, Sweden. Studies on the effects of humidity were performed using the FOMICAG facility, while heat and irradiation experiments were performed in a thermostated heating block and with a gammacell 22 with a dose rate of 14 kGy/h. The revaporisation losses were measured using a HPGe detector. The decomposition effect of the radiolysis product carbon monoxide was tested on IOx aerosols deposited on a glass fibre filter. Iodine oxide particles were produced at 50 deg. C, 100 deg. C and 120 deg. C and deposited on filter samples in order to study the chemical speciation of

  6. Doping efficiency of single and randomly stacked bilayer graphene by iodine adsorption

    Energy Technology Data Exchange (ETDEWEB)

    Kim, HoKwon; Renault, Olivier; Rouchon, Denis; Mariolle, Denis; Chevalier, Nicolas [Univ. Grenoble Alpes, F-38000 Grenoble, France and CEA, LETI, MINATEC Campus, F-38054 Grenoble (France); Tyurnina, Anastasia; Simonato, Jean-Pierre; Dijon, Jean [Univ. Grenoble Alpes, F-38000 Grenoble, France and CEA, LITEN, Minatec Campus, F-38054 Grenoble (France)

    2014-07-07

    We report on the efficiency and thermal stability of p-doping by iodine on single and randomly stacked, weakly coupled bilayer polycrystalline graphene, as directly measured by photoelectron emission microscopy. The doping results in work function value increase of 0.4–0.5 eV, with a higher degree of iodine uptake by the bilayer (2%) as compared to the single layer (1%) suggesting iodine intercalation in the bilayer. The chemistry of iodine is identified accordingly as I{sub 3}{sup −} and I{sub 5}{sup −} poly iodide anionic complexes with slightly higher concentration of I{sub 5}{sup −} in bilayer than monolayer graphene, likely attributed to differences in doping mechanisms. Temperature dependent in-situ annealing of the doped films demonstrated that the doping remains efficient up to 200 °C.

  7. A first principle study for the adsorption and absorption of carbon atom and the CO dissociation on Ir(100) surface

    Energy Technology Data Exchange (ETDEWEB)

    Erikat, I. A., E-mail: ihsanas@yahoo.com [Department of Physics, Jerash University, Jerash-26150 (Jordan); Hamad, B. A. [Department of Physics, The University of Jordan, Amman-11942 (Jordan)

    2013-11-07

    We employ density functional theory to examine the adsorption and absorption of carbon atom as well as the dissociation of carbon monoxide on Ir(100) surface. We find that carbon atoms bind strongly with Ir(100) surface and prefer the high coordination hollow site for all coverages. In the case of 0.75 ML coverage of carbon, we obtain a bridging metal structure due to the balance between Ir–C and Ir–Ir interactions. In the subsurface region, the carbon atom prefers the octahedral site of Ir(100) surface. We find large diffusion barrier for carbon atom into Ir(100) surface (2.70 eV) due to the strong bonding between carbon atom and Ir(100) surface, whereas we find a very small segregation barrier (0.22 eV) from subsurface to the surface. The minimum energy path and energy barrier for the dissociation of CO on Ir(100) surface are obtained by using climbing image nudge elastic band. The energy barrier of CO dissociation on Ir(100) surface is found to be 3.01 eV, which is appreciably larger than the association energy (1.61 eV) of this molecule.

  8. A first principle study for the adsorption and absorption of carbon atom and the CO dissociation on Ir(100) surface

    Science.gov (United States)

    Erikat, I. A.; Hamad, B. A.

    2013-11-01

    We employ density functional theory to examine the adsorption and absorption of carbon atom as well as the dissociation of carbon monoxide on Ir(100) surface. We find that carbon atoms bind strongly with Ir(100) surface and prefer the high coordination hollow site for all coverages. In the case of 0.75 ML coverage of carbon, we obtain a bridging metal structure due to the balance between Ir-C and Ir-Ir interactions. In the subsurface region, the carbon atom prefers the octahedral site of Ir(100) surface. We find large diffusion barrier for carbon atom into Ir(100) surface (2.70 eV) due to the strong bonding between carbon atom and Ir(100) surface, whereas we find a very small segregation barrier (0.22 eV) from subsurface to the surface. The minimum energy path and energy barrier for the dissociation of CO on Ir(100) surface are obtained by using climbing image nudge elastic band. The energy barrier of CO dissociation on Ir(100) surface is found to be 3.01 eV, which is appreciably larger than the association energy (1.61 eV) of this molecule.

  9. A first principle study for the adsorption and absorption of carbon atom and the CO dissociation on Ir(100) surface

    International Nuclear Information System (INIS)

    Erikat, I. A.; Hamad, B. A.

    2013-01-01

    We employ density functional theory to examine the adsorption and absorption of carbon atom as well as the dissociation of carbon monoxide on Ir(100) surface. We find that carbon atoms bind strongly with Ir(100) surface and prefer the high coordination hollow site for all coverages. In the case of 0.75 ML coverage of carbon, we obtain a bridging metal structure due to the balance between Ir–C and Ir–Ir interactions. In the subsurface region, the carbon atom prefers the octahedral site of Ir(100) surface. We find large diffusion barrier for carbon atom into Ir(100) surface (2.70 eV) due to the strong bonding between carbon atom and Ir(100) surface, whereas we find a very small segregation barrier (0.22 eV) from subsurface to the surface. The minimum energy path and energy barrier for the dissociation of CO on Ir(100) surface are obtained by using climbing image nudge elastic band. The energy barrier of CO dissociation on Ir(100) surface is found to be 3.01 eV, which is appreciably larger than the association energy (1.61 eV) of this molecule

  10. A Possibility for Construction of an Iodine Cleaning System Based on Doping for π-Conjugated Polymers

    Directory of Open Access Journals (Sweden)

    Hiromasa Goto

    2011-05-01

    Full Text Available An iodine accumulation method using polyaniline (PANI and a textile composite is proposed. PANI/pulp paper sheets prepared by a paper making technique are suitable for iodine adsorption, because of good processability. The PANI-based paper sheets can be applied for iodine cleanup as air filters, water filters, and floorcloth. This concept may lead to a development of an iodine cleaning machine or iodine shield cloth based on π-conjugated polymer composites. In-situ vapor phase doping of iodine, observation of surface images, and IR measurements are carried out to examine iodine doping function for the PANI/pulp paper sheets.

  11. Regeneration of the iodine isotope-exchange efficiency for nuclear-grade activated carbons

    International Nuclear Information System (INIS)

    Deitz, V.R.

    1985-01-01

    The removal of radioactive iodine from air flows passing through impregnated activated carbons depends on a minimum of three distinguishable reactions: (1) adsorption on the carbon networks of the activated carbons, (2) iodine isotope exchange with impregnated iodine-127, and (3) chemical combination with impregnated tertiary amines when present. When a carbon is new, all three mechanisms are at peak performance and it is not possible to distinguish among the three reactions by a single measurement; the retention of methyl iodide-127 is usually equal to the retention of methyl iodide-131. After the carbon is placed in service, the three mechanisms of iodine removal are degraded by the contaminants of the air at different rates; the adsorption process degrades faster than the other two. This behavior will be shown by comparisons of methyl iodide-127 and methyl iodide-131 penetration tests. It was found possible to regenerate the iodine isotope-exchange efficiency by reaction with airborne chemical reducing agents with little or no improvement in methyl iodine-127 retention. Examples will be given of the chemical regeneration of carbons after exhaustion with known contaminants as well as for many carbons removed from nuclear power operations. The depth profile of methyl iodide-131 penetration was determined in 2-inch deep layers before and after chemical treatments

  12. Acidic gases (CO_2, NO_2 and SO_2) capture and dissociation on metal decorated phosphorene

    International Nuclear Information System (INIS)

    Kuang, Anlong; Kuang, Minquan; Yuan, Hongkuan; Wang, Guangzhao; Chen, Hong; Yang, Xiaolan

    2017-01-01

    Highlights: • The light metal decorated phosphorene sheets are very effective for capture of CO_2, NO_2 and SO_2 because of large adsorption energies. • The adsorption energy is obviously dependent on the amount of electrons transferred between acidic gases and metal decorated phosphorene. • Pt-decorated phosphorene can effectively catalyze the dissociation of acidic gas. - Abstract: Density functional theory is employed to investigate the adsorption and dissociation of several acidic gases (CO_2, NO_2 and SO_2) on metal (Li, Al, Ni and Pt) decorated phosphorene. The results show that light metal (Li, Al) decorated phosphorene exhibits a strong adsorption of acidic gases, i.e., the adsorption energy of CO_2 on Li decorated phosphorene is 0.376 eV which is the largest in all adsorption of CO_2 on metal decorated phosphorene and Al decorated phosphorene is most effective for capture of NO_2 and SO_2 due to large adsorption energies of 3.951 and 3.608 eV, respectively. Moreover, Li and Al light metals have stronger economic effectiveness and more friendly environment compared with the transition metals, the strong adsorption ability of acidic gases and low price suggest that Li, Al decorated phosphorene may be useful and promising for collection and filtration of exhaust gases. The reaction energy barriers of acidic gases dissociated process on Pt decorated phosphorene are relatively low and the reaction processes are significantly exothermic, indicating that the dissociation process is favorable.

  13. 76 FR 82323 - Design, Inspection, and Testing Criteria for Air Filtration and Adsorption Units

    Science.gov (United States)

    2011-12-30

    ... Filtration and Adsorption Units AGENCY: Nuclear Regulatory Commission. ACTION: Draft regulatory guide... for Air Filtration and Adsorption Units of Postaccident Engineered-Safety-Feature Atmosphere Cleanup... testing of air filtration and iodine adsorption units of engineered-safety-feature (ESF) atmosphere...

  14. Coverage-dependent adsorption and desorption of oxygen on Pd(100)

    Energy Technology Data Exchange (ETDEWEB)

    Dunnen, Angela den; Jacobse, Leon; Wiegman, Sandra; Juurlink, Ludo B. F., E-mail: l.juurlink@chem.leidenuniv.nl [Leiden Institute of Chemistry, Leiden University, Einsteinweg 55, P.O. Box 9502, 2300 RA Leiden (Netherlands); Berg, Otto T. [Department of Chemistry, California State University Fresno, 2555 E. San Ramon Ave., Fresno, California 93740 (United States)

    2016-06-28

    We have studied the adsorption and desorption of O{sub 2} on Pd(100) by supersonic molecular beam techniques and thermal desorption spectroscopy. Adsorption measurements on the bare surface confirm that O{sub 2} initially dissociates for all kinetic energies between 56 and 380 meV and surface temperatures between 100 and 600 K via a direct mechanism. At and below 150 K, continued adsorption leads to a combined O/O{sub 2} overlayer. Dissociation of molecularly bound O{sub 2} during a subsequent temperature ramp leads to unexpected high atomic oxygen coverages, which are also obtained at high incident energy and high surface temperature. At intermediate temperatures and energies, these high final coverages are not obtained. Our results show that kinetic energy of the gas phase reactant and reaction energy dissipated during O{sub 2} dissociation on the cold surface both enable activated nucleation of high-coverage surface structures. We suggest that excitation of local substrate phonons may play a crucial role in oxygen dissociation at any coverage.

  15. First-principles investigations of O2 dissociation on low-coordinated Pd ensembles over stepped Au surfaces

    International Nuclear Information System (INIS)

    Yuan, D.W.; Liu, Z.R.; Xu, Y.

    2012-01-01

    The adsorption and dissociation of O 2 on Pd monomer or trimer incorporated into Au(322) and Au(321) surfaces are systematically investigated by first-principles calculations and nudged-elastic-band simulations. We found that the contiguous low-coordinated Pd ensembles alloyed into step edges of Au surfaces are required for O 2 dissociation with an enhanced adsorption energy (∼−1.00 eV). The dissociative barrier of O 2 is mainly related to the size of Pd ensembles, and the activation energy is about 1.00 eV on Pd trimers. However, the Pd monomer is less active for the adsorption and dissociation of O 2 . Additionally, the O spillover from Pd to Au sites only occurs at elevated temperature, and the diffusion processes are highly endothermic. The calculated results indicate that the Pd-modified Au step edge with a contiguous Pd ensemble is the reactive center for supplying atomic oxygen on Pd-doped Au catalysts. -- Highlights: ► Our results reveal the mechanism of O 2 dissociation on Pd-decorated stepped Au surfaces. ► The adsorption energy of O 2 is related to both coordination numbers and geometrical arrangements of Pd atoms alloyed into Au surface. ► The Pd-modified Au step with a contiguous Pd ensemble is the reactive center for O 2 dissociation. ► Our results are important for understanding the catalytic properties of Pd-modified nanoporous gold, especially for those catalytic reactions related to O 2 activation.

  16. Computational study of ethanol adsorption and reaction over rutile TiO2 (110) surfaces

    KAUST Repository

    Muir, J. N.

    2012-01-01

    Studies of the modes of adsorption and the associated changes in electronic structures of renewable organic compounds are needed in order to understand the fundamentals behind surface reactions of catalysts for future energies. Using planewave density functional theory (DFT) calculations, the adsorption of ethanol on perfect and O-defected TiO 2 rutile (110) surfaces was examined. On both surfaces the dissociative adsorption mode on five-fold coordinated Ti cations (Ti 4+ 5c) was found to be more favourable than the molecular adsorption mode. On the stoichiometric surface E ads was found to be equal to 0.85 eV for the ethoxide mode and equal to 0.76 eV for the molecular mode. These energies slightly increased when adsorption occurred on the Ti 4+ 5c closest to the O-defected site. However, both considerably increased when adsorption occurred at the removed bridging surface O; interacting with Ti 3+ cations. In this case the dissociative adsorption becomes strongly favoured (E ads = 1.28 eV for molecular adsorption and 2.27 eV for dissociative adsorption). Geometry and electronic structures of adsorbed ethanol were analysed in detail on the stoichiometric surface. Ethanol does not undergo major changes in its structure upon adsorption with its C-O bond rotating nearly freely on the surface. Bonding to surface Ti atoms is a σ type transfer from the O2p of the ethanol-ethoxide species. Both ethanol and ethoxide present potential hole traps on O lone pairs. Charge density and work function analyses also suggest charge transfer from the adsorbate to the surface, in which the dissociative adsorptions show a larger charge transfer than the molecular adsorption mode. This journal is © 2012 the Owner Societies.

  17. A First Principles Study of H2 Adsorption on LaNiO3(001 Surfaces

    Directory of Open Access Journals (Sweden)

    Changchang Pan

    2017-01-01

    Full Text Available The adsorption of H2 on LaNiO3 was investigated using density functional theory (DFT calculations. The adsorption sites, adsorption energy, and electronic structure of LaNiO3(001/H2 systems were calculated and indicated through the calculated surface energy that the (001 surface was the most stable surface. By looking at optimized structure, adsorption energy and dissociation energy, we found that there were three types of adsorption on the surface. First, H2 molecules completely dissociate and then tend to bind with the O atoms, forming two –OH bonds. Second, H2 molecules partially dissociate with the H atoms bonding to the same O atom to form one H2O molecule. These two types are chemical adsorption modes; however, the physical adsorption of H2 molecules can also occur. When analyzing the electron structure of the H2O molecule formed by the partial dissociation of the H2 molecule and the surface O atom, we found that the interaction between H2O and the (001 surface was weaker, thus, H2O was easier to separate from the surface to create an O vacancy. On the (001 surface, a supercell was constructed to accurately study the most stable adsorption site. The results from analyses of the charge population; electron localization function; and density of the states indicated that the dissociated H and O atoms form a typical covalent bond and that the interaction between the H2 molecule and surface is mainly due to the overlap-hybridization among the H 1s, O 2s, and O 2p states. Therefore, the conductivity of LaNiO3(001/H2 is stronger after adsorption and furthermore, the conductivity of the LaNiO3 surface is better than that of the LaFeO3 surface.

  18. Prediction of iodide adsorption on oxides by surface complexation modeling with spectroscopic confirmation.

    Science.gov (United States)

    Nagata, Takahiro; Fukushi, Keisuke; Takahashi, Yoshio

    2009-04-15

    A deficiency in environmental iodine can cause a number of health problems. Understanding how iodine is sequestered by materials is helpful for evaluating and developing methods for minimizing human health effects related to iodine. In addition, (129)I is considered to be strategically important for safety assessment of underground radioactive waste disposal. To assess the long-term stability of disposed radioactive waste, an understanding of (129)I adsorption on geologic materials is essential. Therefore, the adsorption of I(-) on naturally occurring oxides is of environmental concern. The surface charges of hydrous ferric oxide (HFO) in NaI electrolyte solutions were measured by potentiometric acid-base titration. The surface charge data were analyzed by means of an extended triple-layer model (ETLM) for surface complexation modeling to obtain the I(-) adsorption reaction and its equilibrium constant. The adsorption of I(-) was determined to be an outer-sphere process from ETLM analysis, which was consistent with independent X-ray absorption near-edge structure (XANES) observation of I(-) adsorbed on HFO. The adsorption equilibrium constants for I(-) on beta-TiO(2) and gamma-Al(2)O(3) were also evaluated by analyzing the surface charge data of these oxides in NaI solution as reported in the literature. Comparison of these adsorption equilibrium constants for HFO, beta-TiO(2), and gamma-Al(2)O(3) based on site-occupancy standard states permitted prediction of I(-) adsorption equilibrium constants for all oxides by means of the Born solvation theory. The batch adsorption data for I(-) on HFO and amorphous aluminum oxide were reasonably reproduced by ETLM with the predicted equilibrium constants, confirming the validity of the present approach. Using the predicted adsorption equilibrium constants, we calculated distribution coefficient (K(d)) values for I(-) adsorption on common soil minerals as a function of pH and ionic strength.

  19. Determination of iodine 129 in vegetables using neutron activation analysis

    International Nuclear Information System (INIS)

    Quintana, Eduardo E.; Thyssen, Sandra M.; Bruno, Hector A.

    1999-01-01

    The developed methodology allows the determination of iodine 129 in vegetables, using neutron activation analysis. The chemical treatment removes the interferences present in these matrixes, as well as the bromine 82 originated in the activation process. The experimental method for the determination of iodine 129 by neutron activation analysis involves five steps: 1- digestion by alkaline fusion; 2- pre-irradiation purification of iodine 129 by distillation followed by solvent extraction, and adsorption on activated charcoal by distillation; 3- neutron irradiation; 4- post-irradiation purification of iodine 130 by distillation followed by solvent extraction; 5- gamma spectrometry. A chemical recovery of 95 % is obtained in the distillations, measured using iodine 131 as tracer. The whole process recovery is within 70 % and 85 %. The detection limit is 2 mBq/kg of sample, but several factors affect this value, such as type of vegetable, natural iodine concentration, irradiation time and neutron flux. The methodology developed is applied at environmental surveillance with safeguards proposes, in the detection of undeclared reprocessing of irradiated fuel. (authors)

  20. Iodine Gas Trapping using Granular Porous Bismuth

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Jae Hwan; Shin, Jin Myeong; Park, Jang Jin; Park, Geun Il [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of); Yim, Mansung [Korea Advanced Institute of Science and Technology, Daejeon (Korea, Republic of)

    2014-05-15

    {sup 129}I is a radionuclide with a very long half-life of 1.57 Χ 10{sup 7} years and has negative health effects to the human body. Therefore, the emission of {sup 129}I into the air is closely regulated by the Environmental Protection Agency (EPA). Many methods for trapping gaseous {sup 129}I have been developed thus far, including wet scrubbing and adsorption using silver loaded zeolites. Although wet scrubbing can effectively remove iodine, it suffers from corrosion of the vessel due to high concentration of the scrubbing solution. Silver loaded zeolites also show effectiveness in capturing {sup 129}I gas, yet weak thermal stability of physisorbed iodine remains a challenge. We studied a novel and facile method to trap iodine gas using bismuth. Granular bismuth having many pores was synthesized using bismuth nitrate and polyvinyl alcohol as a bismuth precursor and pore forming agent, respectively. Reaction of iodine and our samples resulted in an iodine capturing capacity of more than 2 times that of the commercial grade silver exchanged zeolite (AgX). Granular porous bismuths synthesized using bismuth nitrate and PVA show a promising performance in capturing iodine gas. The use of bismuth in trapping {sup 129}I gas can reduce the process cost as bismuth is cheap. Further study is going on to improve the mechanical property of granular porous bismuths for their easy handling.

  1. Iodine Gas Trapping using Granular Porous Bismuth

    International Nuclear Information System (INIS)

    Yang, Jae Hwan; Shin, Jin Myeong; Park, Jang Jin; Park, Geun Il; Yim, Mansung

    2014-01-01

    129 I is a radionuclide with a very long half-life of 1.57 Χ 10 7 years and has negative health effects to the human body. Therefore, the emission of 129 I into the air is closely regulated by the Environmental Protection Agency (EPA). Many methods for trapping gaseous 129 I have been developed thus far, including wet scrubbing and adsorption using silver loaded zeolites. Although wet scrubbing can effectively remove iodine, it suffers from corrosion of the vessel due to high concentration of the scrubbing solution. Silver loaded zeolites also show effectiveness in capturing 129 I gas, yet weak thermal stability of physisorbed iodine remains a challenge. We studied a novel and facile method to trap iodine gas using bismuth. Granular bismuth having many pores was synthesized using bismuth nitrate and polyvinyl alcohol as a bismuth precursor and pore forming agent, respectively. Reaction of iodine and our samples resulted in an iodine capturing capacity of more than 2 times that of the commercial grade silver exchanged zeolite (AgX). Granular porous bismuths synthesized using bismuth nitrate and PVA show a promising performance in capturing iodine gas. The use of bismuth in trapping 129 I gas can reduce the process cost as bismuth is cheap. Further study is going on to improve the mechanical property of granular porous bismuths for their easy handling

  2. High coverage hydrogen adsorption on the Fe{sub 3}O{sub 4}(1 1 0) surface

    Energy Technology Data Exchange (ETDEWEB)

    Yu, Xiaohu, E-mail: yuxiaohu950203@126.com [College of Physics and Electrical Engineering, Anyang Normal University, Anyang, Henan 455000 (China); State Key laboratory of Coal Conversion, Institute of Coal Chemistry, Chinese Academy of Sciences, Taiyuan, Shanxi 030001 (China); Zhang, Xuemei [College of Physics and Electrical Engineering, Anyang Normal University, Anyang, Henan 455000 (China); Wang, Shengguang [State Key laboratory of Coal Conversion, Institute of Coal Chemistry, Chinese Academy of Sciences, Taiyuan, Shanxi 030001 (China); Synfuels China Co., Ltd., Huairou, Beijing 101407 (China)

    2015-10-30

    Graphical abstract: - Highlights: • Hydrogen adsorption on the A and B termination layers of the Fe{sub 3}O{sub 4}(1 1 0) surface at different coverage has been studied by DFT + U method. • The adsorption of hydrogen prefers surface oxygen atoms on both Fe{sub 3}O{sub 4}(1 1 0) surface layers. • The more stable A layer has stronger adsorption energy than the less stable B layer. • The saturation coverage has two dissociatively adsorbed H{sub 2} on the A layer, and one dissociatively adsorbed H{sub 2} on the B layer. - Abstract: Hydrogen adsorption on the A and B termination layers of the Fe{sub 3}O{sub 4}(1 1 0) surface at different coverage has been systematically studied by density functional theory calculations including an on-site Hubbard term (GGA + U). The adsorption of hydrogen prefers surface oxygen atoms on both layers. The more stable A layer has stronger adsorption energy than the less stable B layer. The saturation coverage has two dissociatively adsorbed H{sub 2} on the A layer, and one dissociatively adsorbed H{sub 2} on the B layer. The adsorption mechanism has been analyzed on the basis of projected density of states (PDOS).

  3. Adsorption of methyl iodide on charcoal

    International Nuclear Information System (INIS)

    Hidajat, K.; Aracil, J.; Kenney, C.N.

    1990-01-01

    The adsorption of non-radioactive methyl iodide has been measured experimentally over a range of conditions of concentration, and temperature on an activated charcoal. This is of interest since methyl iodide is formed from iodine fission products in gas cooled nuclear reactors. A mathematical model has also been developed which describes the rate of adsorption, under isothermal and linear adsorption isotherm conditions in a recycle adsorber. This model takes into account the resistance to adsorption caused by the surface adsorption, as well as the external and internal mass transfer resistances. The solution to the model for the recycle adsorber was obtained using a semidiscretisation method to reduce the partial differential equations to a system of stiff ordinary differential equations, and the resulting differential equations solved by a standard numerical technique. (author)

  4. Simulation of ISTP-EPICUR Iodine Chemistry Tests with RAIM

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Han-Chul; Cho, Yeong-Hun; Jang, Dong-Ju; Ryu, Myung-Hyun [Nuclear Korea Institute of Nuclear Safety, Daejeon (Korea, Republic of)

    2014-10-15

    The amount of iodine release largely depends on its volatility in the containment. Iodine has several chemical forms including aerosols, vapor, and gas. Among them gaseous iodine such as I{sub 2} and organic iodide are dominating due to their high volatility. Therefore, such iodine behavior has been extensively examined. Korea Institute of Nuclear Safety (KINS) has been joining the relevant international programs such as ISTP-EPICUR, OECD-BIP and OECD-STEM. In the course of this study, a simple iodine model, RAIM (Radio-Active Iodine chemistry Model) has been developed, based on the IMOD methodology and other previous studies. This model deals with chemical reactions associated with formation and destruction of iodine species in the containment atmosphere and the sump in a simple manner, as shown in Fig. 1. It also treats adsorption and desorption of volatile iodine on the paint surface. The iodine species modeled are inorganic volatile iodine, organic iodides of high volatility (HVRI) and low volatility (LVRI), non-volatiles, non-aqueous iodine, and iodine oxide aerosols (IO{sub x}). Many other material participating in the iodine reactions, e.g., air radiolysis products (ARP) such as ozone, are also modeled. This paper especially shows the analysis results after addition of gaseous reaction model to RAIM, which was further accompanied by adjustments of the existing reaction rate constants even for the aqueous reactions. After integration of iodine reaction models for gas and aqueous phase, RAIM was applied the S1-9 and S1-11 tests which were carried out in aqueous phase. In addition, re-analysis of the S2-6-5-2 test, for which iodine-loaded coupons were tested in gas phase, was also performed.

  5. CO dissociation on magnetic Fen clusters

    KAUST Repository

    Jedidi, Abdesslem; Markovits, Alexis; Minot, Christian; Abderrabba, Manef Ben; Van Hove, Michel A.

    2014-01-01

    triangular facet of the nanoparticle. Dissociation becomes easier when the cluster size increases. Then, the C atom is bonded to a square facet that is generated as a result of the adsorption if it does not yet exist in the bare cluster, while the O atom

  6. First-principles studies on the adsorption of molecular oxygen on Ba(110) surface

    International Nuclear Information System (INIS)

    Li, S.F.; Xue Xinlian; Li Pinglin; Li Xinjian; Jia Yu

    2006-01-01

    The adsorption of O 2 on Ba(110) surface is studied with first-principles calculations based on density functional theory. Our calculations predict that O 2 may prefer to dissociative adsorption on Ba(110) surface without obvious barrier. Also our results do not support the model of charge transfer from the surface to the molecule as a bond breaking mechanism. Instead, the increasing hybridization between O 2 orbitals and the d states of Ba(110) surface may play an important role in the dissociation adsorption

  7. The influence of physical parameters on the adsorption of iodine 131 by activated charcoals

    International Nuclear Information System (INIS)

    Billard, F.; Chevalier, G.; Caron, J.; Van Der Meersch, J.

    1966-01-01

    Following an outline of the means of generating iodine 131 in the gas phase and a brief description of the apparatus used, the authors analyse the experimental results obtained on the trapping of iodine 131 by activated charcoal. The efficiency depends concurrently on the relative humidity and the iodine concentration of the air. While it is independent of this concentration in dry air, it does not exceed 50 in moist air, whatever the bed depth, when the concentration is less than 1 mCi/m 3 , then it increases with the concentrations to reach values close to those obtained in dry air for concentrations of around 1000 Ci/m 3 . At the same time the efficiency of a dust filter with respect to iodine remains very low in dry air whatever the iodine concentration; in moist air this efficiency, which is high at low concentrations, decreases when the latter increases. In addition if a charcoal bed is divided into several beds, separated by an amount corresponding to a passage time of about a second, it is found that the efficiency of the whole is appreciably higher than that of the initial bed. These results appear to establish the existence of at least two forms of iodine, one molecular form and one particulate form probably formed by clusters, the forms equilibrium being functions of the relative concentrations of iodine and water vapour in the air. The third form evidence, a gaseous form compound, remains hypothetical; the experimental curves can be explained either by the molecular and particular forms reversibility or by the increase of clusters size with the relative humidity of the air. (authors) [fr

  8. The behaviour of radionuclides in gas adsorption chromatographic processes with superimposed chemical reactions (chlorides)

    International Nuclear Information System (INIS)

    Eichler, B.

    1996-01-01

    Thermochemical relationships are derived describing the gas adsorption chromatographic transport of carrier-free radionuclides. Especially, complex adsorption processes such as dissociative, associative and substitutive adsorption are dealt with. The comparison of experimental with calculated data allows the determination of the type of adsorption reaction, which is the basis of the respective gas chromatographic process. The behaviour of carrier-free radionuclides of elements Pu, Ce, Ru, Co and Cr in thermochromatographic experiments with chlorinating carrier gases can be described as dissociative adsorption of chlorides in higher oxidation states. The gas adsorption chromatographic transport of Zr with oxygen and chlorine containing carrier gas is shown to be a substitutive adsorption process. The consequences of superimposed chemical reactions on the interpretation of results and the conception of gas adsorption chromatographic experiments with carrier-free radionuclides in isothermal columns and in temperature gradient tubes is discussed. (orig.)

  9. Association/dissociation in dense gases and adsorption/desorption on surfaces

    International Nuclear Information System (INIS)

    Flannery, M.R.

    1984-01-01

    A new comprehensive theory is described for the time evolution towards equilibrium of association and dissociation in a dense gas. Expressions are formulated and are illustrated for the net probabilities of association to stable vibrational levels and dissociation to the continuum from an arbitrary bound vibrational level via collision with the thermal gas bath. A general variational principle emerges: The rate which corresponds to the overall direction of the process always adjusts itself to a minimum and the time evolution towards equilibrium is hindered. Analogy is established with Kirchhoff's Laws and Tellegen's Theorem for electrical networks, and with the Principle of Least Dissipation basic to thermodynamics, heat conduction, and fluid mechanics. The theory can also be modified to provide the first basic microscopic account of Associative Desorption of atoms from and Dissociative Chemisorption of molecules to surfaces

  10. Capture of elemental and organic iodine from dilute gas streams by silver-exchanged mordenite

    Energy Technology Data Exchange (ETDEWEB)

    Bruffey, S.H.; Jubin, R.T.; Jordan, J.A. [Oak Ridge National Laboratory, 1 Bethel Valley Road, Oak Ridge, TN 37831 (United States)

    2016-07-01

    The treatment of off-gas streams arising from reprocessing of used nuclear fuel (UNF) is an area of active study by the U.S. Department of Energy. Such off-gas streams contain volatile fission products, including long-lived {sup 129}I. Although {sup 129}I is released into the off-gas at multiple points within the chemical reprocessing flowsheet, previous research has focused on removal from the dissolver off-gas stream (DOG). The DOG is expected to contain up to 98% of iodine in UNF at ppm levels within the stream. Other off-gas streams will also contain iodine but at substantially lower concentrations. Recent work has shown that compliance with U.S. regulations will likely require capture of iodine from these dilute streams in addition to capture from DOG. In particular, the vessel off-gas (VOG) stream is expected to contain 1-3% of the total iodine inventory at ppb concentrations. A review of literature also indicates that the speciation of iodine in the VOG stream will differ from that of the DOG, with the DOG containing primarily I{sub 2} and the VOG containing a mixture of I{sub 2} and organic iodine species. Silver-exchanged mordenite (AgZ) has been identified for use in the removal of iodine from off-gas streams. It is an effective capture material for I{sub 2} at the concentrations expected in the DOG, but little is known about its performance in gas streams that may contain both I{sub 2} and organic iodides at very dilute concentrations. The experiments to be described were designed to separately characterize the adsorption of I{sub 2} and methyl iodide on AgZ through extended duration testing. Simulated vessel off-gases containing low levels of either I{sub 2} or methyl iodide were contacted with AgZ sorbent beds for up to four months. Through the use of sorbent beds in series and varied sampling times, key parameters such as adsorption rate, decontamination factor, and performance over time could be determined for the capture of each species by AgZ. This

  11. Studies of iodine concentration in steel and transition metals

    International Nuclear Information System (INIS)

    Kormann, C.; Kozlowski, W.; Oleksi-Frenzel, J.; Nachtigall, K.; Neste, A. van; Welsh, M.; Titze-Zaeske, B.; Plieth, W.

    1990-01-01

    Radioactive iodine which originates from nuclear fuel reprocessing plants as a fission product and consists mainly of the radioactive isotopes 129 I, 131 I, and of the inactive 127 I, must be quantitatively adsorbed at the end of the process for the purpose of safe waste disposal. Inspite of using high-alloy austenitic chrome nickel steels, major corrosion effects were observed at tubes and containers of the PASSAT dissolver waste gas purifier. This research project serves to clarify the question in which parts of the installation iodine concentration is to be expected under certain conditions. Furthermore it serves to identify the redox state of iodine in the various installation components. For this purpose steel (1.4306esu and 1.4563N), zirconium and titanium were studied in nitric iodic media. With the objective of calculating iodine adsorption isotherms, the following methods were used to obtain qualitative and quantitative data: FTIR, ellipsometry, 131 I radiotracer method, cyclo-voltametry, closed circuit potential measurements, ion chromatography. (orig./DG) [de

  12. The retention of iodine in stainless steel sample lines

    Energy Technology Data Exchange (ETDEWEB)

    Evans, G.J.; Deir, C. [Univ. of Toronto (Canada); Ball, J.M. [Whiteshell Laboratories, Pinawa (Canada)

    1995-02-01

    Following an accident in a multi-unit CANDU nuclear generating station, decontamination of air vented from containment would play a critical role in minimizing the release of iodine to the environment. The concentration of gas phase iodine in containment air would be measured using the post accident radiation monitoring system, requiring that air samples be passed through a considerable length of tubing to a remote location where the desired measurements could safely be made. A significant loss of iodine, due to adsorption on the sample line surfaces, could greatly distort the measurement. In this study, the retention of I{sub 2}(g) on stainless steel was evaluated in bench scale experiments in order to evaluate, and if possible minimise, the extent of any such line losses. Experiments at the University of Toronto were performed using 6 inch lengths of 1/4 inch stainless steel tubing. Air, containing I-131 labelled I{sub 2}(g), ranging in concentration from 10{sup {minus}10} to 10{sup {minus}6} mol/dm{sup 3} and relative humidity (:RH) from 20 to 90 %, was passed through tubing samples maintained at temperatures ranging from 25 to 90{degrees}C. Adsorption at low gas phase iodine concentrations differed substantially from that at higher concentrations. The rate of deposition was proportional to the gas phase concentration, giving support to the concept of a first order deposition velocity. The surface loading increased with increasing relative humidity, particularly at low RH values, while the deposition rate decreased with increasing temperature. Surface water on the steel may play an important role in the deposition process. The chemisorbed iodine was located primarily in areas of corrosion. Furthermore, water used to wash the steel contained Fe, Mn and iodine in the form of iodide, suggesting that I{sub 2} reacted to form metal iodides. The deposition of I{sub 2} was also found to depend on the initial surface condition.

  13. Highly efficient capture of iodine by Cu/MIL-101

    Science.gov (United States)

    Qi, Bingbing; Liu, Ying; Zheng, Tao; Gao, Qianhong; Yan, Xuewu; Jiao, Yan; Yang, Yi

    2018-02-01

    In order to improve the uptake capacity of MIL-101 for iodine, Cu nanoparticles doped MIL-101 were successfully synthesized through a facile method. The obtained Cu/MIL-101 was characterized by SEM, XRD, EDS, TEM, IR, TGA and BET to examine the chemical and thermal stabilities. The capture experiments for the adsorbents showed that the capture capacity of Cu/MIL-101 for volatile iodine is 342 wt%, which is higher than that of pure MIL-101. An I2 uptake of 342 wt% is the highest value reported among metal-organic frameworks. Furthermore, Cu/MIL-101 has a cycle ratio of 95% after three cycles and exhibits a better cyclicity than pure MIL-101. Meanwhile, Cu/MIL-101 shows an excellent reversible adsorption of iodine in solution.

  14. Acidic gases (CO{sub 2}, NO{sub 2} and SO{sub 2}) capture and dissociation on metal decorated phosphorene

    Energy Technology Data Exchange (ETDEWEB)

    Kuang, Anlong, E-mail: alkuang@swu.edu.cn [School of Physical Science and Technology, Southwest University, Chongqing 400715 (China); Kuang, Minquan; Yuan, Hongkuan; Wang, Guangzhao; Chen, Hong [School of Physical Science and Technology, Southwest University, Chongqing 400715 (China); Yang, Xiaolan [School of Materials Science and Engineering, Beihang University, Beijing 100191 (China)

    2017-07-15

    Highlights: • The light metal decorated phosphorene sheets are very effective for capture of CO{sub 2}, NO{sub 2} and SO{sub 2} because of large adsorption energies. • The adsorption energy is obviously dependent on the amount of electrons transferred between acidic gases and metal decorated phosphorene. • Pt-decorated phosphorene can effectively catalyze the dissociation of acidic gas. - Abstract: Density functional theory is employed to investigate the adsorption and dissociation of several acidic gases (CO{sub 2}, NO{sub 2} and SO{sub 2}) on metal (Li, Al, Ni and Pt) decorated phosphorene. The results show that light metal (Li, Al) decorated phosphorene exhibits a strong adsorption of acidic gases, i.e., the adsorption energy of CO{sub 2} on Li decorated phosphorene is 0.376 eV which is the largest in all adsorption of CO{sub 2} on metal decorated phosphorene and Al decorated phosphorene is most effective for capture of NO{sub 2} and SO{sub 2} due to large adsorption energies of 3.951 and 3.608 eV, respectively. Moreover, Li and Al light metals have stronger economic effectiveness and more friendly environment compared with the transition metals, the strong adsorption ability of acidic gases and low price suggest that Li, Al decorated phosphorene may be useful and promising for collection and filtration of exhaust gases. The reaction energy barriers of acidic gases dissociated process on Pt decorated phosphorene are relatively low and the reaction processes are significantly exothermic, indicating that the dissociation process is favorable.

  15. The processing of used cooking oil (yellow grease) using combination of adsorption and ultrafiltration membrane processes

    Science.gov (United States)

    Rosnelly, C. M.; Sofyana; Amalia, D.; Sarah, S.

    2018-03-01

    Yellow grease is used cooking oil whose quality has degraded due to the oxidation, polymerization, or hydrolysis process. In previous studies, yellow grease refining had been conducted either by adsorption or by using membrane. In this study, adsorption process using adsorbent from bagasse activated with H3PO4 12.5%, and ultrafiltration using Polyethersulfone (PES) membrane were combined. In adsorption stage, several variation of bagasse mass was fed into 200 ml of yellow grease and stirred for 60 minutes at 60 rpm. Yellow grease produced from adsorption with best condition was then processed using ultrafiltration membran that is PES membran with concentration by 15 wt % with transmembrane pressure variation by 0.5; 1; 1.5; 2; and 2.5 Bar. Analysis of yellow grease characteristics before refined showed its acid number, peroxide number, iodine number, and water content respectively by 2.68 mgKOH/Kg; 5.97 Meq/Kg; 51,48; and 1.29%. Characteristics of yellow grease after adsorption at its best condition on the parameters of acid number, peroxide number, iodine number, and water content are respectively by 2.55 mgKOH/Kg; 4.19 Meq/Kg; 40,02; and 0.27%. Characteristics of yellow grease after ultrafiltration at its best condition on the parameters of acid number, peroxide number, iodine number, and water content are respectively by 1.12 mgKOH/Kg; 1.8 Meq/Kg; 41,36; and 0.02%. Combination of adsorption and ultrafiltration processes for yellow grease processing showed decreasing value on the parameters of acid number, peroxide number, and water content that conforms to the SNI quality standard, but has not been able to increase the iodine number.

  16. The iodine molecule insights into intra- and intermolecular perturbation in diatomic molecules

    CERN Document Server

    Lukashov, Sergey; Pravilov, Anatoly

    2018-01-01

    This book presents experimental and theoretical spectroscopic studies performed over the last 25 years on the iodine molecule’s excited states and their perturbations. It is going to be of interest to researchers who study intra- and intermolecular perturbations in diatomic molecules and more complex systems. The book offers a detailed treatment of the nonadiabatic perturbations of valence, ion pair and Rydberg states induced by intramolecular as well as intermolecular interactions in collisions or in weakly-bound complexes. It also provides an overview of current instrumentation and techniques as well as theoretical approaches describing intra- and intermolecular perturbations. The authors are experts in the use of spectroscopy for the study of intrinsic and collision-induced perturbations in diatomic iodine. They introduced new methods of two- and three-step optical population of the iodine ion-pair states. The iodine molecule has 23 valence states correlating with three dissociation limits, 20 so-called ...

  17. Electronic structures and reactivities of iodinating agents in the gas phase and in solutions: a density functional study

    International Nuclear Information System (INIS)

    Filimonov, V.D.; Krasnokutskaya, E.L.; Lesina, Yu.A.; Chajkovskij, V.K.; Poleshchuk, O.X.

    2006-01-01

    The electronic and spatial structures of a broad spectrum of neutral compounds with X-Hal (X = N, O, Cl; Hal = Cl, Br, I) bonds and their protonated forms and of different electronic states of triiodide cation, I 3 + , were determined from density functional B3LYP/6-311G* quantum-chemical calculations. The effects of the structure of these compounds on the parameters of electrophilic reactivity were revealed and the thermochemical characteristics of homolytic and heterolytic X-Hal bond dissociation and of iodine transfer in hydroxyl-containing solvents were calculated. Due to low homolytic bond dissociation energies of X-I, the formation of molecular iodine and triiodide cation I 3 + becomes thermodynamically favorable and the cation should act as iodinating agent alternative to acylhypoiodites and N-iodoimides. The solvation effects of MeOH and CH 2 Cl 2 on the X-Hal bond homolysis and heterolysis were determined using the PCM model [ru

  18. Radioactive Iodine and Krypton Control for Nuclear Fuel Reprocessing Facilities

    Directory of Open Access Journals (Sweden)

    Nick R. Soelberg

    2013-01-01

    Full Text Available The removal of volatile radionuclides generated during used nuclear fuel reprocessing in the US is almost certain to be necessary for the licensing of a reprocessing facility in the US. Various control technologies have been developed, tested, or used over the past 50 years for control of volatile radionuclide emissions from used fuel reprocessing plants. The US DOE has sponsored, since 2009, an Off-gas Sigma Team to perform research and development focused on the most pressing volatile radionuclide control and immobilization problems. In this paper, we focus on the control requirements and methodologies for 85Kr and 129I. Numerous candidate technologies have been studied and developed at laboratory and pilot-plant scales in an effort to meet the need for high iodine control efficiency and to advance alternatives to cryogenic separations for krypton control. Several of these show promising results. Iodine decontamination factors as high as 105, iodine loading capacities, and other adsorption parameters including adsorption rates have been demonstrated under some conditions for both silver zeolite (AgZ and Ag-functionalized aerogel. Sorbents, including an engineered form of AgZ and selected metal organic framework materials (MOFs, have been successfully demonstrated to capture Kr and Xe without the need for separations at cryogenic temperatures.

  19. Organic iodine removal from simulated dissolver off-gas systems utilizing silver-exchanged mordenite

    International Nuclear Information System (INIS)

    Jubin, R.T.

    1981-01-01

    The removal of methyl iodide by adsorption onto silver mordenite was studied using a simulated off-gas from the fuel dissolution step of a nuclear fuel reprocessing plant. The adsorption of methyl iodide on silver mordenite was examined for the effect of NO/sub x/, humidity, iodine concentration, filter temperature, silver loadings and filter pretreatment. The highest iodine loading achieved in these tests was 142 mg CH 3 I per g of substrate on fully exchanged zeolite, approximately the same as elemental iodine loadings. A filter using fully exchanged silver mordenite operating at 200 0 C obtained higher iodine loadings than a similar filter operating at 150 0 C. Pretreatment of the sorbent bed with hydrogen rather than dry air, at a temperature of 200 0 C, also improved the loading. Variations in the methyl iodide concentration had minimal effects on the overall loading. Filters exposed to moist air streams attained higher loadings than those in contact with dry air. Partially exchanged silver mordenite achieved higher silver utilizations than the fully exchanged material. The partially exchanged mordenite also achieved higher loadings at 200 0 C than at 250 0 C. The iodine loaded onto these beds was not stripped at 500 0 C by either 4.5% hydrogen or 100% hydrogen; however, the iodine could be removed by air at 500 0 C, and the bed could be reloaded. A study of the regeneration characteristics of fully exchanged silver mordenite indicates limited adsorbent capacity after complete removal of the iodine with 4.5% hydrogen in the regeneration gas stream at 500 0 C. The loss of adsorbent capacity is much higher for silver mordenite regenerated in a stainless steel filter housing than in a glass filter housing

  20. Kinetics of an oxygen – iodine active medium with iodine atoms optically pumped on the {sup 2}P{sub 1/2} – {sup 2}P{sub 3/2} transition

    Energy Technology Data Exchange (ETDEWEB)

    Zagidullin, M V; Azyazov, V N [Samara Branch of the P.N. Lebedev Physical Institute, Russian Academy of Sciences, Samara (Russian Federation); Malyshev, M S [S.P. Korolev Samara State Aerospace University, Samara (Russian Federation)

    2015-08-31

    The kinetics of the processes occurring in an O{sub 2} – I{sub 2} – He – H{sub 2}O gas flow in which photodissociation of molecular iodine at a wavelength close to 500 nm and excitation of atomic iodine on the {sup 2}P{sub 1/2} – {sup 2}P{sub 3/2} transition by narrow-band radiation near 1315 nm are implemented successively has been analysed. It is shown that implementation of these processes allows one to form an oxygen – iodine medium with a high degree of dissociation of molecular iodine and a relative content of singlet oxygen O{sub 2}(a{sup 1}Δ) exceeding 10%. Having formed a supersonic gas flow with a temperature ∼100 K from this medium, one can reach a small-signal gain of about 10{sup -2} cm{sup -1} on the {sup 2}P{sub 1/2} – {sup 2}P{sub 3/2} transition in iodine atoms. The specific power per unit flow cross section in the oxygen – iodine laser with this active medium may reach ∼100 W cm{sup -2}. (active media)

  1. Weakly-bound adsorption states and low-temperature adsorption kinetiks of oxygen on tungsten (100) and (110) faces

    International Nuclear Information System (INIS)

    Zhukov, V.V.; Osovskij, V.D.; Ptushnikov, Yu.G.; Sukretnyj, V.G.; Chujkov, B.A.

    1986-01-01

    A molecular beam technique with an effusion source operating at T=200 K is used to study the adsorption interaction of oxygen with W(100) and (110) faces in the range of the simple temperatures from 5 to 340 K. Three weakly-bound adsorption states of oxygen are detected corresponding to adsorption in the second, third and forth monolayer. These states are characterized by adsorption energies of 0.13, 0.08 and 0.07 eV and desorption temperatures of 45, 27 and 25 K, respectively. The kinetics of filling of these states is almost similar for both faces, whereas the adsorption kinetics in the first monolayer is essentially different. A dissociative nature of adsorption at T >or approx. 5 K and a jump migration mechanism of the admolecules in the precursor state to the stationary adsorption sites are suggested

  2. Zero-valent iron pretreatment for detoxifying iodine in liquid crystal display (LCD) manufacturing wastewater

    International Nuclear Information System (INIS)

    Lee, J.W.; Cha, D.K.; Oh, Y.K.; Ko, K.B.; Song, J.S.

    2009-01-01

    This study investigated reductive transformation of iodine by zero-valent iron (ZVI), and the subsequent detoxification of iodine-laden wastewater. ZVI completely reduced aqueous iodine to non-toxic iodide. Respirometric bioassay illustrated that the presence of iodine increase the lag phase before the onset of oxygen consumption. The length of lag phase was proportional to increasing iodine dosage. The reduction products of iodine by ZVI did not exhibit any inhibitory effect on the biodegradation. The cumulative biological oxidation associated with iodine toxicity was closely fitted to Gompertz model. When iodine-laden wastewater was continuously fed to a bench-scale activated sludge unit, chemical oxygen demand (COD) removal efficiencies decreased from above 90% to below 80% along with a marked decrease in biomass concentration. On the other hand, the COD removal efficiency and biomass concentration remained constant in the integrated ZVI-activated sludge system. Respirometric bioassay with real iodine-laden LCD manufacturing wastewater demonstrated that ZVI was effective for detoxifying iodine and consequently enhancing biodegradability of wastewater. This result suggested that ZVI pretreatment may be a feasible option for the removal of iodine in LCD processing wastewater, instead of more costly processes such as adsorption and chemical oxidation, which are commonly in the iodine-laden LCD wastewater treatment facility

  3. When Langmuir is too simple: H-2 dissociation on Pd(111) at high coverage

    DEFF Research Database (Denmark)

    Lopez, Nuria; Lodziana, Zbigniew; Illas, F.

    2004-01-01

    Recent experiments of H-2 adsorption on Pd(111) [T. Mitsui et al., Nature (London) 422, 705 (2003)] have questioned the classical Langmuir picture of second order adsorption kinetics at high surface coverage requiring pairs of empty sites for the dissociative chemisorption. Experiments find that ...

  4. Adsorption of malachite green and iodine on rice husk-based porous carbon

    International Nuclear Information System (INIS)

    Guo Yupeng; Zhang Hui; Tao Nannan; Liu Yanhua; Qi Juirui; Wang Zichen; Xu Hongding

    2003-01-01

    Adsorption isotherms of I 2 and malachite green (MG) by rice husk-based porous carbons (RHCs) from aqueous medium have been studied. Three samples of carbons prepared by NaOH-activation, three samples prepared by KOH-activation and two samples of commercial carbons have been studied. And the adsorption isotherms have been determined after modifying the carbon surfaces by oxidation with nitric acid and hydrogen peroxide and after degassing at 800 deg. C. The results have been found to follow the Freundlich adsorption isotherm. Three samples of N series have larger capacity for removing I 2 and MG from solution compared to that of the tested commercial carbons. The adsorption capacity of I 2 is similar for K series and commercial carbons. And the capacity of commercial carbons for MG is larger than K series. The adsorption capacity of I 2 on oxidation carbons has increased for hydrogen peroxide treatment and decreased for nitric acid, and that of MG is decreased. But the adsorption capacities of I 2 and MG increase on degassing. On the other hand, the adsorption of I 2 increases after modifying the carbon surfaces by HCl without oxidation. Suitable mechanisms have been proposed

  5. Hydrogen dissociation and incorporation on Mg{sub 17}Al{sub 12}(100) surface: A density functional theory study

    Energy Technology Data Exchange (ETDEWEB)

    Ning, Hua [Guangxi Key Laboratory for Relativistic Astrophysics, Guangxi Colleges and Universities Key Laboratory of Novel Energy Materials and Related Technology, College of Physics Science and Technology, Guangxi University, Nanning 530004 (China); Guangxi Collaborative Innovation Center of Structure and Property for New Energy and Materials, School of Material Science and Engineering, Guilin University of Electronic Technology, Guilin 541004 (China); Zhou, Zhiyan; Zhang, Ziyan [Guangxi Key Laboratory for Relativistic Astrophysics, Guangxi Colleges and Universities Key Laboratory of Novel Energy Materials and Related Technology, College of Physics Science and Technology, Guangxi University, Nanning 530004 (China); Zhou, Wenzheng; Li, Guangxu [Guangxi Key Laboratory for Relativistic Astrophysics, Guangxi Colleges and Universities Key Laboratory of Novel Energy Materials and Related Technology, College of Physics Science and Technology, Guangxi University, Nanning 530004 (China); Guangxi Collaborative Innovation Center of Structure and Property for New Energy and Materials, School of Material Science and Engineering, Guilin University of Electronic Technology, Guilin 541004 (China); Guo, Jin, E-mail: guojin@gxu.edu.cn [Guangxi Key Laboratory for Relativistic Astrophysics, Guangxi Colleges and Universities Key Laboratory of Novel Energy Materials and Related Technology, College of Physics Science and Technology, Guangxi University, Nanning 530004 (China); Guangxi Collaborative Innovation Center of Structure and Property for New Energy and Materials, School of Material Science and Engineering, Guilin University of Electronic Technology, Guilin 541004 (China)

    2017-02-28

    Highlights: • Hydrogen adsorption, dissociation, and penetration on (in) Mg{sub 17}Al{sub 12} (100) surface are studied. • Hydrogen molecules are dissociated on the surface with barrier of 0.63 eV. • The maximum barrier energy for atomic hydrogen penetration into the subsurface is ∼0.7 eV. • The hybridization between the s orbital of H and the s orbitals of Mg is major. - Abstract: Hydrogen adsorption, dissociation, and penetration on (in) Mg{sub 17}Al{sub 12} (100) surface are studied extensively by DFT total-energy calculations. The adsorption geometries, dissociation barriers, various diffusion pathways, penetrative processes, and electronic structures were investigated. Results show that the atomic and molecular hydrogen forms prefer to be adsorbed on the Mg3-Mg3 bridge sites (C sites). Hydrogen molecules are dissociated on the surface with the minimum barrier energy of 0.63 eV. There are two stages in the process of hydrogen incorporation, which are hydrogen diffusion on the surface and the penetration from the surface into the subsurface. Two possible pathways of atomic hydrogen penetration from surface into subsurface are found. The calculations of electronic structures show that the hybridization between the s orbital of H and the s orbitals of Mg is major. The Mg-Mg bond on the outmost surface is shortened from 4.48 Å to 3.30 Å after the hydrogen adsorption on C sites, showing the strong interaction between Mg and H atoms.

  6. Hydrogen adsorption on bimetallic PdAu(111) surface alloys

    DEFF Research Database (Denmark)

    Takehiro, Naoki; Liu, Ping; Bergbreiter, Andreas

    2014-01-01

    The adsorption of hydrogen on structurally well defined PdAu-Pd(111) monolayer surface alloys was investigated in a combined experimental and theoretical study, aiming at a quantitative understanding of the adsorption and desorption properties of individual PdAu nanostructures. Combining...... the structural information obtained by high resolution scanning tunneling microscopy (STM), in particular on the abundance of specific adsorption ensembles at different Pd surface concentrations, with information on the adsorption properties derived from temperature programmed desorption (TPD) spectroscopy...... and high resolution electron energy loss spectroscopy (HREELS) provides conclusions on the minimum ensemble size for dissociative adsorption of hydrogen and on the adsorption energies on different sites active for adsorption. Density functional theory (DFT) based calculations give detailed insight...

  7. Mobile Iodine Mineralization Based on Malachite Transformation

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Seung Yeop; Baik, Min Hoon [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

    2016-10-15

    Our new method that is proposed here, however, offer drastic cost cutting by using copper. Moreover, the selectivity of iodine in anion-rich water is advantage to lower the disposal cost by reducing the radioactive waste volume. Iodide (I{sup -}) is soluble and mobile in water, so it is very difficult to capture and precipitate it with common adsorbents. Until now, various exchanger and getter materials have been developed to capture radioactive iodine in wastewater. The materials developed generally showed a good performance under acidic conditions. However, the adsorption amounts were not relatively large in neutral and high pH conditions. Furthermore, the capacity to capture iodine is limited by their properties, such as the specific surface area and adsorbing affinity. Recently, Ag-coated materials have attracted attention as adsorbents. They have shown higher uptake for I- compared to other substances, but they are costly. Our new method that is proposed here, however, offer drastic cost cutting by using copper. Moreover, the selectivity of iodine in anion-rich water is advantage to lower the disposal cost by reducing the radioactive waste volume. Radioactive iodine isotopes are characterized as volatile and mobile species that are difficult to capture by adsorbents. In our study, we developed a new way to uptake and crystallize the mobile iodide as cuprous iodide (CuI). This method will be a promising way to simply stabilize iodide in a solid form with compacted volume.

  8. Environmental sciences: general. 1. Evaluation of Iodine Reactions with Nuclear Aerosols by DRIFT

    International Nuclear Information System (INIS)

    Riggs, C.A.; Tompson, R.V.; Ghosh, T.K.; Loyalka, S.K.

    2001-01-01

    Nuclear source term computations require databases for iodine vapor reactions with cesium compounds. We have explored measurements of iodine vapor [I 2(g) ] reactions with cesium carbonate particles [CsCO 3(s) ] using diffuse reflectance infrared Fourier transform (DRIFT) spectroscopy in the far infrared region for iodine vapor concentrations typical of post-transient conditions in a pressurized water reactor containment. Cesium hydroxide (CsOH) in aerosol form is likely a significant source of radio-cesium released during a reactor transient. As shown in Eq. (1), CsOH (s) particles can combine with iodine gas to form cesium iodide [CsI (s) ] particles. Equations (2) and (3) present a two-step method where the CsOH (s) particles combine with carbon dioxide [CO 2(g) ] found in air to form Cs 2 CO 3(s) particles, which then react with iodine gas to form CsI (s) particles: I 2(g) + 4CsOH (s) ↔ 2CsI (s) 12CsO (s) 12H 2 O (l) , (1) CO 2(g) 12CsOH (s) ↔ Cs 2 CO 3(s) + H 2 O, (2) and Cs 2 CO 3(s) 13I 2(g) ↔ 5CsI (s) + CsIO 3(s) + 3CO 2(g) . (3) We elected to study reactions with Cs 2 CO 3(s) rather than CsOH (s) particles because of significant analytical and handling challenges with the DRIFT attachment presented by the corrosive characteristics of CsOH (s) particles. Physical modifications to the DRIFT attachment, in addition to improved handling practices, need to be evaluated prior to proceeding with the study of CsOH (s) by this method. The reaction of cesium carbonate agglomerates with iodine could occur by surface adsorption and/or absorption. Physical adsorption depends on the surface area and porosity of the solid material. Chemical adsorption depends on the chemical properties of both the gas and the solid material. Beahm et al. previously used classical wet chemical methods to monitor the reaction products after the reaction occurred. The use of DRIFT allows the study of the predicted physical and chemical adsorption occurring on the Cs 2 CO 3(s) surface

  9. Adsorption of phenol on metal treated by granular activated carbon

    International Nuclear Information System (INIS)

    Kang, Kwang Cheol; Kwon, Soo Han; Kim, Seung Soo; Baik, Min Hoon; Choi, Jong Won; Kim, Jin Won

    2007-01-01

    In this study, the effect of metal treatment on Granular Activated Carbon (GAC) was investigated in the context of phenol adsorption. Cobalt(II) nitrate, and zinc(II) nitrate solution were used for metal treated. The specific surface area and the pore structure were evaluated from nitrogen adsorption data at 77 K. The phenol adsorption rates onto GAC were measured by UV-Vis spectrophotometer. Iodine adsorption capacity of Co-GAC is much better then that of the GAC. The Co-GAC with mesopore is more efficient than other adsorbents for the adsorption of polymer such as methyleneblue. The adsorption capacity of reference-GAC and metal-GAC were increased in order of Co-GAC>Zn-GAC>Reference-GAC, in spite of a decrease in specific surface area which was resulted from pore blocking by metal

  10. Efforts to Consolidate Chalcogels with Adsorbed Iodine

    Energy Technology Data Exchange (ETDEWEB)

    Riley, Brian J.; Pierce, David A.; Chun, Jaehun

    2013-08-28

    This document discusses ongoing work with non-oxide aerogels, called chalcogels, that are under development at the Pacific Northwest National Laboratory as sorbents for gaseous iodine. Work was conducted in fiscal year 2012 to demonstrate the feasibility of converting Sn2S3 chalcogel without iodine into a glass. This current document summarizes the work conducted in fiscal year 2013 to assess the consolidation potential of non-oxide aerogels with adsorbed iodine. The Sn2S3 and Sb13.5Sn5S20 chalcogels were selected for study. The first step in the process for these experiments was to load them with iodine (I2). The I2 uptake was ~68 mass% for Sn2S3 and ~50 mass% for Sb13.5Sn5S20 chalcogels. X-ray diffraction (XRD) of both sets of sorbents showed that metal-iodide complexes were formed during adsorption, i.e., SnI4 for Sn2S3 and SbI3 for Sb13.5Sn5S20. Additionally, metal-sulfide-iodide complexes were formed, i.e., SnSI for Sn2S3 and SbSI for Sb13.5Sn5S20. No XRD evidence for unreacted iodine was found in any of these samples. Once the chalcogels had reached maximum adsorption, the consolidation potential was assessed. Here, the sorbents were heated for consolidation in vacuum-sealed quartz vessels. The Sb13.5Sn5S20 chalcogel was heated both (1) in a glassy carbon crucible within a fused quartz tube and (2) in a single-containment fused quartz tube. The Sn2S3 chalcogel was only heated in a single-containment fused quartz tube. In both cases with the single-containment fused quartz experiments, the material consolidated nicely. However, in both cases, there were small fractions of metal iodides not incorporated into the final product as well as fused quartz particles within the melt due to the sample attacking the quartz wall during the heat treatment. The Sb13.5Sn5S20 did not appear to attack the glassy carbon crucible so, for future experiments, it would be ideal to apply a coating, such as pyrolytic graphite, to the inner walls of the fused quartz vessel to prevent

  11. 77 FR 60481 - Design, Inspection, and Testing Criteria for Air Filtration and Adsorption Units of Post-Accident...

    Science.gov (United States)

    2012-10-03

    ... filtration and iodine adsorption units of ESF atmosphere cleanup systems in light-water-cooled nuclear power... Filtration and Adsorption Units of Post-Accident Engineered-Safety-Feature Atmosphere Cleanup Systems in Light-Water-Cooled Nuclear Power Plants AGENCY: Nuclear Regulatory Commission. ACTION: Regulatory guide...

  12. Environmental sciences: general. 2. Water Adsorption/Absorption by CsOH Particles

    International Nuclear Information System (INIS)

    Riggs, C.A.; Ghosh, T.K.; Tompson, R.V.; Loyalka, S.K.; Viswanath, D.S.

    2001-01-01

    Cesium hydroxide in aerosol form is likely to be a significant source of radio-cesium released during a reactor transient. Cesium hydroxide particles are hydrophilic and absorb/adsorb water rapidly. The result is a rapid growth of cesium hydroxide wetted agglomerates that can deposit on surfaces by gravitational settling. However, they can also react with iodine gas to form CsI according to Eq. (1). The rapid absorption/adsorption of water by CsOH may increase the rate of absorption of iodine by CsOH. Iodine may attach itself to adsorbed water molecules on CsOH and facilitate the reaction by bringing iodine to CsOH. Thus, the iodine removal mechanism from the pressurized water reactor containment atmosphere may change: I 2(g) + 4CsOH (s) ↔ 2CsI (s) + 2CsO (s) + 2H 2 O (l) . (1) Despite the importance of CsOH as an aerosol material released during a reactor transient, we have been unable to find any isotherm data of water on cesium hydroxide in the literature. The significant hydrophilic nature of CsOH, together with its being the strongest base currently known, present challenges to collection of water adsorption data. The objective in this research was to experimentally obtain isotherm data of water vapor on CsOH for a range of temperatures and pressures on macroscopic samples using an electro-balance. These data then may be used to predict the amount of water vapor adsorbed on CsOH at other temperatures and pressures by existing models. The adsorption apparatus using a Cahn 2000 electro-balance is shown in Fig. 1. The water adsorption/absorption data on CsOH at different relative pressures of water vapor were obtained gravimetrically. A detailed description of the experimental system is given in Hassan et al. An∼70-mg sample of CsOH.H 2 O (s) was placed onto a platinum weighing dish in the hang-down tube of the balance. The sample was regenerated by heating it at 100 deg. C under a vacuum of 3.5x10 -2 mm Hg for 24 h to remove adsorbed water and other gases

  13. Electron stimulated desorption study of oxygen adsorption on tungsten

    International Nuclear Information System (INIS)

    Prince, R.H.; Floyd, G.R.

    1978-01-01

    The adsorption of oxygen on a polycrystalline tungsten surface at approximately 800 K has been studied by means of electron stimulated desorption (ESD). Although precision gas dosing was not employed, the initial sticking probability for dissociative adsorption appears to be essentially unity, while the variation with coverage suggests that a high degree of order exists and that precursor state kinetics are significant. A most noticeable and reproducible discontinuity in ESD parameters occurs at a fractional coverage theta approximately 0.8 (exposure approximately 1.4 X 10 15 molecules/cm 2 incident) which is interpreted as an order-disorder transition within a single (β 1 ) chemisorption state, and results in an increase in the ionic desorption cross-section by a factor of approximately 1.26. A discussion of the adsorption kinetics and the disorder transition is given in terms of current models of dissociative adsoption which include the effects of nearest neighbour lateral interactions. (Auth.)

  14. DFT study of adsorption and dissociation behavior of H2S on Fe-doped graphene

    International Nuclear Information System (INIS)

    Zhang, Hong-ping; Luo, Xue-gang; Song, Hong-tao; Lin, Xiao-yan; Lu, Xiong; Tang, Youhong

    2014-01-01

    Highlights: • Fe-doped and Pt-doped graphene can significantly improve the interactions between H 2 S and graphene. • The location of S had an important role in the interactions between H 2 S and Fe-doped graphene. • The influence of Fe-S distance can be very weak in a certain range and H 2 S can be dissociated into S and H 2 . - Abstracts: Understanding the interaction mechanisms of hydrogen sulfide (H 2 S) with graphene is important in developing graphene-based sensors for gas detection and removal. In this study, the effects of doped Fe atom on interaction of H 2 S with graphene were investigated by density functional theory calculations. Analyses of adsorption energy, electron density difference, and density of states indicated that the doped Fe atom can significantly improve the interaction of H 2 S gas molecules with graphene, as well as Pt-doped graphene. The location of the sulfur atom is important in the interactions between H 2 S and Fe-doped graphene. The influence of the Fe-S distance can be very weak within a certain distance, as simulated in this study

  15. Heterogeneous equilibrium in mplybdenum-iodine system

    International Nuclear Information System (INIS)

    Klinkova, L.A.

    1983-01-01

    Heterogeneous equilibrium in the Mo-J system is studied to reveal regions of existence of molybdenum iodides, is studied. The investigation is performed for atomic ratio I/Mo=0.02-7.5 in the temperature range of 300-1370 K using methods of thermographic, X-ray phase, chemical and optical analyses of phases quenched after isothermal annealing. It is shown that higher molybdenum iodides (Mo1 4 , MoJ 5 , MoJ 6 ) are thermally unstable compounds and exist in the Mo-J system at low temperatures (360-490 K). Above 470 K higher iodides dissociate up to molybdenum triiodide. MoJ 3 under the pressure of iodine vapors is stable up to 970 K. Molybdenum diiodide is the product of triiodide decomposition and forms in the Mo-J system in the 700-1270 K range. At the J/Mo>>3 ratio the product of triiodide decomposition is MoJsub(2.87) which is thermally unstable up to 570 K, while in iodine atmosphere - up to 1170 K

  16. Water on TiO2 studied by work function change: adsorption in cycles

    International Nuclear Information System (INIS)

    Bundaleski, Nenad; Silva, Ana G; Jean-Shaw, Bobbie; Teodoro, Orlando; Moutinho, Augusto

    2013-01-01

    The nature of water adsorption on TiO 2 (110) rutile surface attracts a lot of attention for quite some time. In spite of the considerable experimental and theoretical efforts a lot of details remain unclear. We have been using work function study to follow the adsorption of water on TiO 2 at room temperature, and interpreted the results in terms of fast dissociative adsorption on bridging oxygen vacancies (BOV) and much slower non-dissociative adsorption on Ti 5f rows. Additionally, we concluded that water from Ti 5f rows efficiently desorbs at room temperature which is not the case for BOV adsorption sites. Here we propose a novel experimental approach which consists of monitoring in real-time the work function change during cycles of water adsorption. Since desorption at BOVs does not take place at room temperature, this method allows us to resolve the adsorption dynamics on the two adsorption sites. The first results changed our understanding of the phenomenon: we show that both, adsorption on BOVs and Ti 5f are both very fast. Additionally, slow exponential decay of the work function is observed, which is not directly related to water adsorption. The possible explanation of the third slow contribution could be related to the migration of hydrogen atoms along the bridging oxygen rows.

  17. Waved graphene: Unique structure for the adsorption of small molecules

    International Nuclear Information System (INIS)

    Pan, Hui

    2017-01-01

    We propose waved graphenes for the strong adsorption of molecules and investigate their potential applications. We find that the physical adsorption of molecules on waved graphene is greatly enhanced by compression. At optimal compression, the physical adsorption energies of H_2, N_2, NO, and CO are increased by 6–9 times, and that for O_2 is more than 2 times. We show that the energy for their chemical adsorption on waved graphene decreases dramatically with the increment of compression. The energy of dissociation of H_2 on flat graphene is 1.63 eV and reduced to 0.06 eV (96% reduction) on waved graphene at a compression of 50%, respectively. The energy for chemical adsorption of O_2 on waved graphenes is extremely reduced from 0.98 eV to −0.57 eV as with compression increasing from 0 to 50%, indicating the transition of endothermic chemical adsorption to exothermic. We further show that the electronic properties of waved graphenes are modified, leading to the change of electrical characters. We see that the waved graphenes may find applications in gas storage, sensor and catalyst because of enhanced physical and chemical adsorption and the induced change of electronic properties. - Highlights: • Adsorption of small molecules on waved graphene is greatly enhanced. • Strong physical adsorption in the trough of waved graphene can be achieved by tuning the curvature. • Chemical adsorption is on the crest of waved graphene. • Exothermic dissociation of H2 and O2 can be realized on waved graphene under high compression. • Wave graphene can be candidates as catalysts and gas storage/sensor.

  18. Waved graphene: Unique structure for the adsorption of small molecules

    Energy Technology Data Exchange (ETDEWEB)

    Pan, Hui, E-mail: huipan@umac.mo

    2017-03-01

    We propose waved graphenes for the strong adsorption of molecules and investigate their potential applications. We find that the physical adsorption of molecules on waved graphene is greatly enhanced by compression. At optimal compression, the physical adsorption energies of H{sub 2}, N{sub 2}, NO, and CO are increased by 6–9 times, and that for O{sub 2} is more than 2 times. We show that the energy for their chemical adsorption on waved graphene decreases dramatically with the increment of compression. The energy of dissociation of H{sub 2} on flat graphene is 1.63 eV and reduced to 0.06 eV (96% reduction) on waved graphene at a compression of 50%, respectively. The energy for chemical adsorption of O{sub 2} on waved graphenes is extremely reduced from 0.98 eV to −0.57 eV as with compression increasing from 0 to 50%, indicating the transition of endothermic chemical adsorption to exothermic. We further show that the electronic properties of waved graphenes are modified, leading to the change of electrical characters. We see that the waved graphenes may find applications in gas storage, sensor and catalyst because of enhanced physical and chemical adsorption and the induced change of electronic properties. - Highlights: • Adsorption of small molecules on waved graphene is greatly enhanced. • Strong physical adsorption in the trough of waved graphene can be achieved by tuning the curvature. • Chemical adsorption is on the crest of waved graphene. • Exothermic dissociation of H2 and O2 can be realized on waved graphene under high compression. • Wave graphene can be candidates as catalysts and gas storage/sensor.

  19. H{sub 2} dissociation on γ-Al{sub 2}O{sub 3} supported Cu/Pd atoms: A DFT investigation

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Hongtao [College of Environmental Science and Engineering, Taiyuan University of Technology, Taiyuan 030024, Shanxi (China); Key Laboratory of Coal Science and Technology of Shanxi Province and Ministry of Education, Taiyuan University of Technology, Taiyuan 030024, Shanxi (China); Chen, Lijuan [Key Laboratory of Coal Science and Technology of Shanxi Province and Ministry of Education, Taiyuan University of Technology, Taiyuan 030024, Shanxi (China); Lv, Yongkang, E-mail: lykang@tyut.edu.cn [Key Laboratory of Coal Science and Technology of Shanxi Province and Ministry of Education, Taiyuan University of Technology, Taiyuan 030024, Shanxi (China); Ren, Ruipeng, E-mail: s2003wht@126.com [Key Laboratory of Coal Science and Technology of Shanxi Province and Ministry of Education, Taiyuan University of Technology, Taiyuan 030024, Shanxi (China)

    2014-01-30

    The density functional theory (DFT) was applied to investigate the promotion effects of single Cu and Pd atoms deposition on γ-Al{sub 2}O{sub 3} surface for the adsorption and dissociation of H{sub 2} molecule, which is of importance for many catalysis reactions. Due to its strong Lewis acidity, the tri-coordinated surface Al site was identified to be the most preferable site for both Cu and Pd location. The inner surface electrons rearrangement from O to Al of alumina was found to be a key factor to stabilize the Cu/Pd adsorption configurations, rather than the total electrons transfer between Cu/Pd and the surface. It was found that the supported Cu and Pd atoms are more active for H{sub 2} dissociation than the clean γ-Al{sub 2}O{sub 3} surface. The supported Pd is more active than Cu for H{sub 2} dissociation. In addition, the metal–support interaction of the γ-Al{sub 2}O{sub 3} supported Cu/Pd atoms are more favored than the metal–metal interaction of the metal clusters for the H{sub 2} dissociated adsorption.

  20. Development of silver impregnated alumina for iodine separation from off-gas streams

    Energy Technology Data Exchange (ETDEWEB)

    Funabashi, Kiyomi; Fukasawa, Tetsuo; Kikuchi, Makoto [Energy Research Laboratory, Hitachi (Japan)] [and others

    1995-02-01

    An inorganic iodine adsorbent, silver impregnated alumina (AgA), has been developed to separate iodine effectively from off-gas streams of nuclear facilities and to decrease the volume of waste (spent adsorbent). Iodine removal efficiency was improved at relatively high humidity by using alumina carrier with two different pore diameters. Waste volume reduction was achieved by impregnating relatively large amounts of silver into the alumina pores. The developed adsorbent was tested first with simulated off-gas streams under various experimental conditions and finally with actual off-gas streams of the Karlsruhe reprocessing plant. The decontamination factor (DF) was about 100 with the AgA bed depth of 2cm at 70% relative humidity, which was a DF one order higher than that when AgA with one pore size was used. Iodine adsorption capacity was checked by passing excess iodine into the AgA bed. Values were about 0.12 and 0.35 g-I/cm`-AgA bed for 10 and 24wt% silver impregnated AgA, respectively. The results obtained in this study demonstrated the applicability of the developed AgA to the off-gas treatment system of nuclear facilities.

  1. Adsorption and decomposition of H{sub 2}O on cobalt surfaces: A DFT study

    Energy Technology Data Exchange (ETDEWEB)

    Ma, F.F.; Ma, S.H., E-mail: msh8586@163.com; Jiao, Z.Y.; Dai, X.Q.

    2016-10-30

    Highlights: • Molecular water weakly binds to Co surfaces and it is feasible to desorption from the clean surfaces. • The presence of atomic oxygen has a prominent promotion effect on the dissociation of water into hydroxyl, especially on O-covered Co(110) no extra energy is needed to dissociate H{sub 2}O. • Distinctively, the presence of hydroxyl hinders the dissociation of water molecule. • The analysis of microscopic decomposition behaviors demonstrates that molecular water adsorbs dissociatively with the aid of pre-adsorbed oxygen atom, forming OH radicals chemisorbed on the considered surfaces. - Abstract: Water adsorption and dissociation on clean and O-covered Co(100), Co(110) and Co(111) surfaces are studied using the density functional theory calculations. The results indicate that molecular water weakly binds to the surfaces and is feasible to desorption from the clean surfaces. Moreover, the pre-adsorption of O atom increases the binding of water to the surfaces, and prominently decreases the activation barriers of water dissociation into OH, especially on Co(110) surface. In contrast, the activation barrier for OH dissociation is slightly affected in the presence of O atom. Overall, this study reveals that O-assisted H{sub 2}O favorably adsorbs dissociatively, forming OH chemisorbed on the surfaces, which further hinders H{sub 2}O dissociation, and also illustrates the fact that molecular water dissociation is structure-sensitive on metal surfaces.

  2. Adsorption chromatographic separation of radioiodine-labelled compounds using binary eluents

    International Nuclear Information System (INIS)

    Toth, G.

    1980-01-01

    An adsorption chromatographic method using Sephadex LH-20 dextran gel as adsorbent and water-organic solvent binary eluents was developed for the systematic separation of low molecular weight radioiodine-labelled substances like iodothyronines, iodobenzoic acids and iodotyrosine methyl ester derivatives of prostaglandins, steroids etc. The adsorbed iodine compounds were separated by water-organic solvent mixture, and the order of the compounds is in accordance with the increasing number of iodine substituents per molecule. A method is reported which enables the calculation of the eluent strength of the water-organic solvent eluents. (author)

  3. Dissociation of water and Acetic acid on PbS from first principles

    Science.gov (United States)

    Satta, Alessandra; Ruggerone, Paolo; de Giudici, Giovanni

    2008-03-01

    The adsorption of complex molecules at mineral surfaces are crucial ingredients for understanding the mechanisms that rule the interaction between minerals and the biosphere and for predicting both the stability and the reactivity of minerals. The present work focuses mainly on the early stages of different adsorption reactions occurring at both the cleavage surface and a high-index vicinal surface of galena (PbS). We have studied the dissociation mechanism of water and acetic acid on the galena surfaces by means of ab initio calculations within the framework of the density functional theory in the generalized gradient approximation and of pseudopotential approach. The calculated adsorption energies of the molecules indicate the stepped surface as the most reactive, as expected. The free energy surface during the reaction process has been explored via metadynamics[1]. The optimized configurations of both reactants and products obtained, were then used to accurately calculate the dissociation energy via the Nudge Elastic Band method[2]. [1] A. Laio and M. Parrinello, PNAS 99, 12562 (2002). [2] G. Mills and H. Jonsson, Phys. Rev. Lett. 72, 1124 (1994).

  4. Adsorption behavior of sulfur-containing amino acid molecule on transition metal surface studied by S K-edge NEXAFS

    International Nuclear Information System (INIS)

    Yagi, S.; Matsumura, K.; Nakano, Y.; Ikenaga, E.; Sardar, S.A.; Syed, J.A.; Soda, K.; Hashimoto, E.; Tanaka, K.; Taniguchi, M.

    2003-01-01

    Adsorption behavior of a sulfur-containing amino acid L-cysteine molecule on transition metal surface have been investigated by S K-edge near-edge X-ray absorption fine structure. The L-cysteine molecule for first adsorption layer was found to dissociate on polycrystalline nickel surface, whereas molecularly adsorbed on copper surface at room temperature. Most of the L-cysteine molecules have been dissociated on nickel surface in annealing condition up to 353 K. On the other hand, the L-cysteine molecule did not dissociate on copper surface and the elongation of the S-C bonding occurred at 353 K

  5. Effect of carbon dioxide on the rate of iodine vapor absorption by aqueous solution of sodium hydroxide

    International Nuclear Information System (INIS)

    Eguchi, Wataru; Adachi, Motonari; Miyake, Yoshikazu

    1978-01-01

    There is always carbon dioxide in the atmosphere as an impurity. Since this is an acid gas similar to iodine, each absorption rate seems to be affected by the other due to the coexistence of these two. Experiments have been conducted to clarify the absorption rate and absorption mechanism of iodine in the simultaneous absorption of iodine and carbon dioxide. Carbon dioxide coexisting with gas phases as an impurity decreases the absorption rate of iodine in the removal by washing with water of iodine mixed in the air. The first cause of this is that the diffusion coefficient of iodine in gas phase decreases with the carbon dioxide content in the gas phase. The second cause is that coexistent carbon dioxide is an acid gas, dissociates by dissolving into the absorbing solution, increases hydrogen ion concentration together with the formation of negative ions of bicarbonate and carbonate, and reduces hydroxyl ion concentration as a result. It is more important that existence of iodine has a catalytic effect to the rate of basic catalytic hydrolysis of carbon dioxide simultaneously dissolved in water phase, and accelerates this reaction rate. The mechanism of catalytic effect of iodine for the hydrolysis of carbon dioxide can not be clarified in detail only by this experiment, but the simultaneous absorption rate of iodine and carbon dioxide can be explained satisfactorily. (Wakatsuki, Y

  6. Iodine Deficiency

    Science.gov (United States)

    ... Fax/Phone Home » Iodine Deficiency Leer en Español Iodine Deficiency Iodine is an element that is needed ... world’s population remains at risk for iodine deficiency. Iodine Deficiency FAQs WHAT IS THE THYROID GLAND? The ...

  7. The treatment of iodine and chlorine chemistry in the risk assessment of deep radioactive waste disposal

    International Nuclear Information System (INIS)

    Jones, Michael A.

    1992-01-01

    The predicted contribution from 129 I, 131 I and 36 Cl to the radiological risk from a radioactive waste repository may be enhanced by the assumption of limited retardation in the near field and geosphere. However, migration of these radionuclides may be affected by their chemical speciation and retarded by a range of sorption processes. The chemical behaviour of iodine and chlorine is determined emphasizing i) aqueous speciations, ii) sorption onto inorganic substrates, and iii) the role of organic matter and microbes. Recommendations to enhance the methodology include i) consideration of aqueous speciation of iodine, both metal and organic complexes, ii) mechanistic simulation of iodine sorption by ion exchange and electrostatic/covalent adsorption, iii) simulation of enzymatically enhanced sorption of iodine and chlorine onto organic substrates, iv) enhancement of HMIP K d databases to include iodine and chlorine data for the geosphere and biosphere. A well defined programme of additional data collection, modelling studies and experimental investigations is recommended to achieve these enhancements. (author)

  8. Mercury separation from concentrated potassium iodide/iodine leachate using Self-Assembled Mesoporous Mercaptan Support (SAMMS) technology

    International Nuclear Information System (INIS)

    Mattigod, S.V.; Feng, X.; Fryxell, G.E.

    1997-10-01

    A study was conducted to demonstrate the effectiveness of a novel adsorber, the Self-Assembled Mesoporous Mercaptan Support (SAMMS) material to remove mercury (Hg) from potassium iodide/iodine (KI/I 2 ) waste streams. This study included investigations of the SAMMS material''s binding kinetics, loading capacity, and selectivity for Hg adsorption from surrogate and actual KI/I 2 waste solutions. The kinetics data showed that binding of Hg by the adsorber material occurs very rapidly, with 82% to 95% adsorption occurring within the first 5 min. No significant differences in the rate of adsorption were noted between pH values of 5 and 9 and at Hg concentrations of ∼100 mg/1. Within the same range of pH values, an approximate four-fold increase in initial Hg concentration resulted in a two-fold increase in the rate of adsorption. In all cases studied, equilibrium adsorption occured within 4 h. The loading capacity experiments in KI/I 2 surrogate solutions indicated Hg adsorption densities between 26 to 270 mg/g. The loading density increased with increasing solid: solution ratio and decreasing iodide concentrations. Values of distribution coefficients (1.3x10 5 to >2.6x10 8 ml/g) indicated that material adsorbs Hg with very high specificity from KI/I 2 surrogate solutions. Reduction studies showed that compared to metallic iron (Fe), sodium dithionite can very rapidly reduce iodine as the triiodide species into the iodide form. Adsorption studies conducted with actual KI/I 2 leachates confirmed the highly specific Hg adsorption properties (K d >6x10 7 to>1x10 8 ml//g) of the adsorber material. Following treatment, the Hg concentrations in actual leachates were below instrumental detection limits (i.e., < 0.00005 mg/l), indicating that the KI solutions can be recycled

  9. Fibrinogen adsorption on blocked surface of albumin.

    Science.gov (United States)

    Holmberg, Maria; Hou, Xiaolin

    2011-05-01

    We have investigated the adsorption of albumin and fibrinogen onto PET (polyethylene terephthalate) and glass surfaces and how pre-adsorption of albumin onto these surfaces can affect the adsorption of later added fibrinogen. For materials and devices being exposed to blood, adsorption of fibrinogen is often a non-wanted event, since fibrinogen is part of the clotting cascade and unspecific adsorption of fibrinogen can have an influence on the activation of platelets. Albumin is often used as blocking agent for avoiding unspecific protein adsorption onto surfaces in devices designed to handle biological samples, including protein solutions. It is based on the assumption that proteins adsorbs as a monolayer on surfaces and that proteins do not adsorb on top of each other. By labelling albumin and fibrinogen with two different radioactive iodine isotopes that emit gamma radiation with different energies, the adsorption of both albumin and fibrinogen has been monitored simultaneously on the same sample. Information about topography and coverage of adsorbed protein layers has been obtained using AFM (Atomic Force Microscopy) analysis in liquid. Our studies show that albumin adsorbs in a multilayer fashion on PET and that fibrinogen adsorbs on top of albumin when albumin is pre-adsorbed on the surfaces. Copyright © 2010 Elsevier B.V. All rights reserved.

  10. Fast MAS 1H NMR Study of Water Adsorption and Dissociation on the (100) Surface of Ceria Nanocubes: A Fully Hydroxylated, Hydrophobic Ceria Surface

    Energy Technology Data Exchange (ETDEWEB)

    Gill, Lance [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Chemical Sciences Division; Beste, Ariana [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Joint Institute for Computational Sciences (JIBS); Univ. of Tennessee, Knoxville, TN (United States); Chen, Banghao [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Chemical Sciences Division; Li, Meijun [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Chemical Sciences Division; Mann, Amanda K. P. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Chemical Sciences Division; Overbury, Steven H. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Chemical Sciences Division; Hagaman, Edward W. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Chemical Sciences Division

    2017-03-22

    1H nuclear magnetic resonance (NMR) spectroscopy was used to study hydroxylic surface species on ceria nanocubes, a crystalline, high-surface-area CeO2 that presents mostly (100) facets. Water adsorption and desorption experiments in combination with fast magic angle spinning (MAS, 20–40 kHz) 1H NMR provide high-resolution 1H spectra that allow the observation of ten resonance bands (water or hydroxyl) on or under the (100) surface. Assignments were made using a combination of adsorption and temperature-programmed desorption, quantitative spin counting, deuterium exchange, spin–lattice (T1) and spin–spin (T2) relaxation, and DFT calculations. In air, the (100) surface exists as a fully hydroxylated surface. Water adsorption and dissociation on dry ceria surfaces occur first at oxygen vacancies, but Ce3+ centers are not required since water dissociation is barrier-less on the fully oxidized surface. Surface $-$OH functionality occurs in two resolved bands representing isolated $-$OH (1 ppm) and hydrogen-bonded $-$OH (9 ppm), the latter being dominant. Deuterium exchange of surface hydroxyls with D2O does not occur under mild or forcing conditions. Despite large differences in the T1 of surface hydroxyls and physisorbed water, surface hydroxyl T1 values are independent of the presence or absence of physisorbed water, demonstrating that the protons within these two functional group pools are not in intimate contact. These observations show that, once hydroxylated, the surface $-$OH functionality preferentially forms hydrogen bonds with surface lattice oxygen, i.e., the hydroxylated (100) surface of ceria is hydrophobic. Near this surface it is energetically more favorable for physisorbed water to hydrogen bond to itself rather than to the surface. DFT calculations support this notion. Impurity Na+ remaining in incompletely washed ceria nanocubes

  11. Iodine volatility

    International Nuclear Information System (INIS)

    Beahm, E.C.; Shockley, W.E.

    1984-01-01

    The ultimate aim of this program is to couple experimental aqueous iodine volatilities to a fission product release model. Iodine partition coefficients, for inorganic iodine, have been measured during hydrolysis and radiolysis. The hydrolysis experiments have illustrated the importance of reaction time on iodine volatility. However, radiolysis effects can override hydrolysis in determining iodine volatility. In addition, silver metal in radiolysis samples can react to form silver iodide accompanied by a decrease in iodine volatility. Experimental data are now being coupled to an iodine transport and release model that was developed in the Federal Republic of Germany

  12. The development of advanced gas cooled reactor iodine adsorber systems

    International Nuclear Information System (INIS)

    Meddings, P.

    1986-01-01

    Advanced Gas Cooled Reactors (AGRs) are provided with plants to process the carbon dioxide coolant prior to its discharge to atmosphere. Included in these are beds of granular activated charcoal, contained within a suitable pressure vessel, through which the high pressure carbon dioxide is passed for the purpose of retaining iodine and iodine-containing compounds. Carry-over carbon dust from the adsorption beds was identified during active in-situ commissioning testing, radio-iodine being transported with the particulate material due to gross disturbance of the adsorber carbon bed and displacement of the vessel internals. The methods used to identify the causes of the problems and find solutions are described. A development programme for the Heysham-2 and Torness reactors iodine adsorber units was set up to identify a method of de-dusting granular charcoal and develop it for full-scale use, of assess the effect under conditions of high gas density of approach velocity on charcoal fines production and to establish the pressure drop characteristics of a packed granular bed and to develop an effective design of inlet gas diffuser manifold to ensure an acceptable velocity distribution. This has involved the construction of a small scale high pressure carbon dioxide rig and development of an air flow model. This work is described. (UK)

  13. Radionuclide Basics: Iodine

    Science.gov (United States)

    ... Centers Radiation Protection Contact Us Share Radionuclide Basics: Iodine Iodine (chemical symbol I) is a chemical element. ... in the environment Iodine sources Iodine and health Iodine in the Environment All 37 isotopes of iodine ...

  14. Photo-electron spectroscopy using synchrotron radiation of molecular radicals and fragments produced by laser photo-dissociation

    International Nuclear Information System (INIS)

    Nahon, Laurent

    1991-01-01

    This research thesis reports the combined use of a laser and of a synchrotron radiation in order to respectively photo-dissociate a molecule and to photo-ionize fragments which are analysed by photo-electron spectroscopy. This association allows, on the one hand, radical photo-ionization to be studied, and, on the other hand, polyatomic molecule photo-dissociation to be studied. The author studied the photo-excitation and/or photo-ionization in layer 4d (resp. 3d) of atomic iodine (resp. bromine) produced almost complete laser photo-dissociation of I_2 (resp. Br_2). He discuses the processes of relaxation of transitions from valence 4d to 5p (resp. 3d to 4p) which occur either by direct self-ionization or by resonant Auger effect, and reports the study of photo-dissociation of s-tetrazine (C_2N_4H_2) [fr

  15. Doping characteristics of iodine on as-grown chemical vapor deposited graphene on Pt

    Energy Technology Data Exchange (ETDEWEB)

    Kim, HoKwon, E-mail: hknano@gmail.com [Université Grenoble Alpes, F-38000 Grenoble (France); CEA, LETI, MINATEC Campus, 17 rue des Martyrs, F-38054 Grenoble (France); Renault, Olivier [Université Grenoble Alpes, F-38000 Grenoble (France); CEA, LETI, MINATEC Campus, 17 rue des Martyrs, F-38054 Grenoble (France); Tyurnina, Anastasia; Guillet, Jean-François; Simonato, Jean-Pierre [Université Grenoble Alpes, F-38000 Grenoble (France); CEA, LITEN/DTMN, F-38054 Grenoble (France); Rouchon, Denis; Mariolle, Denis; Chevalier, Nicolas [Université Grenoble Alpes, F-38000 Grenoble (France); CEA, LETI, MINATEC Campus, 17 rue des Martyrs, F-38054 Grenoble (France); Dijon, Jean [Université Grenoble Alpes, F-38000 Grenoble (France); CEA, LITEN/DTMN, F-38054 Grenoble (France)

    2015-12-15

    Using laboratory X-ray photoelectron emission microscopy (XPEEM), we investigated the doping efficiency and thermal stability of iodine on as-grown graphene on Pt. After iodine adsorption of graphene in saturated vapor of I{sub 2,} monolayer and bilayer graphene exhibited work function of 4.93 eV and 4.87 eV, respectively. Annealing of the doped monolayer graphene at 100 °C led to desorption of hydrocarbons, which increased the work function of monolayer graphene by ~0.2 eV. The composition of the polyiodide complexes evolved upon a step-by-step annealing at temperatures from 100 °C to 300 °C while the work-function non-monotonically changed with decreasing iodine content. The iodine dopant was stable at relatively high temperature as a significant amount of iodine remained up to the annealing temperature of 350 °C. - Highlights: • Laboratory XPEEM demonstrates that iodine can effectively p-dope as-grown graphene on Pt with a work-function value up to 5.1 eV. • On the other hand, residual hydrocarbon contamination decreases the work function by up to ~0.2 eV. • The spontaneous intercalation of as-grown few-layered graphene is not easily feasible. • The iodine dopant was not completely removed up to the annealing temperature of 350 °C. • The I{sub 3}{sup −} and I{sub 5}{sup −} polyiodide content ratio of I-doped Gr/Pt decreases with annealing temperature.

  16. Effect of transition metal-doped Ni(211) for CO dissociation: Insights from DFT calculations

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Kuiwei; Zhang, Minhua [Key Laboratory for Green Chemical Technology of Ministry of Education, R& D Center for Petrochemical Technology, Tianjin University, Tianjin 300072 (China); Collaborative Innovation Center of Chemical Science and Engineering (Tianjin), Tianjin 300072 (China); Yu, Yingzhe, E-mail: yzhyu@tju.edu.cn [Key Laboratory for Green Chemical Technology of Ministry of Education, R& D Center for Petrochemical Technology, Tianjin University, Tianjin 300072 (China)

    2017-03-31

    Highlights: • Doping the step edge of Ni(211) with Fe or Ru observably enhances CO dissociation. • Rh doping is unfavorable for CO activation both kinetically and thermodynamically. • Two neat linear relations are proposed besides the Brønsted–Evans–Polanyi relation. • The differences of CO adsorption are rationalized via the Blyholder model. - Abstract: Density functional theory slab calculations were performed to investigate the adsorption and dissociation of CO over pure and M-doped Ni(211) (M = Fe, Co, Ru and Rh) with the aim to elucidate the effect of transition metal doping for CO activation. Doping the step edge of Ni(211) with Fe, Co and Ru is found to enhance the binding of CO in the initial state (IS) (in the sequence by the improvement degree: Fe > Ru > Co) as well as the co-adsorption of C and O in the final state (FS) (Ru > Fe > Co). In contrast, Rh doping is unfavorable both in the IS and in the FS. Analysis of the overall potential energy surfaces (PES) suggests CO dissociation is facilitated by Fe, Ru and Co doping both kinetically and thermodynamically, wherein Fe and Ru behave extraordinary. Interestingly, Fe substitute is slightly superior to Ru in kinetics whereas the contrary is the case in thermodynamics. Rh doping elevates the energy height from 0.97 eV on Ni(211) to 1.32 eV and releases 0.39 eV less heat relative to Ni(211), again manifesting a negative effect. Besides the classical Brønsted–Evans–Polanyi relationship, we put forward another two neat linear relations, which can well describe the feature of CO dissociation. The differences of CO adsorption and activation in the IS over pure and doped Ni(211) surfaces are rationalized via electronic structure analysis. The findings presented herein are expected to provide theoretical guidance for catalyst design and optimization in relevant processes.

  17. Estimation of surface area and pore volume of activated carbons by methylene blue and iodine numbers

    Directory of Open Access Journals (Sweden)

    Cleiton A. Nunes

    2011-01-01

    Full Text Available Data of methylene blue number and iodine number of activated carbons samples were calibrated against the respective surface area, micropore volume and total pore volume using multiple regression. The models obtained from the calibrations were used in predicting these physical properties of a test group of activated carbon samples produced from several raw materials. In all cases, the predicted values were in good agreement with the expected values. The method allows extracting more information from the methylene blue and iodine adsorption studies than normally obtained with this type of material.

  18. Is placental iodine content related to dietary iodine intake?

    LENUS (Irish Health Repository)

    Burns, R

    2011-08-01

    Delivery of iodine to the foetus depends not only on maternal dietary iodine intake but also on the presence of a functioning placental transport system. A role for the placenta as an iodine storage organ has been suggested, and this study compares the iodine content of placentas from women giving birth at term in Ireland and Iran, areas with median urinary iodine of 79 and 206 μg\\/l respectively.

  19. Elimination of interference of 129-iodine by its adsorption at extraction separation of 99-technetium

    International Nuclear Information System (INIS)

    Metelkova, M.; Tkac, P.; Kopunec, R.

    2001-01-01

    Three types of macro-amount of anions SO 4 2- , CO 3 2- , OH - in the presence of I- were chosen in this work for comparison of competition with TcO 4 - anions in extraction reaction with Ph 4 As + , where weak, medium and strong competition can be expected respectively. Ph 4 AsCl in chloroform was used as organic phase. The influence of solid AgI or AgCl on Tc extraction was also studied in this extraction systems. The extraction of technetium after four-multiplied extraction from chosen solutions was studied. This procedure was applied in the process of Tc extraction from solutions of reprocessing plant. Various concentrations of K 2 CrO 4 and UO 2 (NO 3 ) 2 in water phase on Tc extraction was investigate, too. The influence of I - ( 131 I) in the process of extraction separation of technetium was studied. The iodine removal was taken out from the solution by its adsorption on insoluble AgI or AgCl phase. The yields for 99m Tc were higher than 95% in organic phase and for 131 I higher than 80% in AgI or AgCl. It is possible to note, that this procedure can be also applied for 99 Tc and 129 I separation and estimation. The results of the extraction are presented in the form of graphical plots of technetium distribution ratio (D Tc , log D Tc ) or extraction yield (E Tc %) against concentration of investigate component in aqueous phase. (authors)

  20. Ab initio atomic simulation of hydrogen and iodine effects in zirconium

    International Nuclear Information System (INIS)

    Domain, Ch.

    2002-03-01

    In this work we present ab initio atomic simulations concerning the effects of hydrogen and iodine in hexagonal zirconium. We first studied the point defects in the dilute Zr-H (and to a less extend Zr-H-O) systems and concluded that it is better described within the generalised gradient approximation for the exchange and correlation functional. We calculated the hydrogen thermal diffusion coefficient in solid solution that agree very well with the experimental values. The calculated formation energy of different self-interstitial configuration are rather small (around 3 eV) and close to each other indicating the high complexity of these defects. We studied the core structure of the screw dislocation that has a preferential prismatic spreading. We also calculated the gamma surface for different gliding planes. The influence of hydrogen, that induces a significant reduction of the gamma surfaces excess energies, allows to qualitatively explain experimental results regarding some hydrogen effects on hexagonal zirconium plastic deformation. We also discussed the effect of zirconium hydride stoichiometry on gamma surfaces. The results concerning the iodine and oxygen adsorption on zirconium surfaces, inducing the evaluation of the effective surface energy reduction as a function of the iodine partial pressure allow for a better description of iodine induced stress corrosion cracking of zirconium. (author)

  1. Environmental behavior of technetium-99 and iodine-129

    International Nuclear Information System (INIS)

    Garland, T.R.; Schreckhise, R.G.

    1982-01-01

    The environmental behavior of technetium-99 and iodine-129 was once thought to be similar, particularly with respect to their soil solubility and biological interactions. Over the past several years, the comparative behavior of these two anions has been studied with respect to their fate in natural environments (both aquatic and terrestrial). The mechanisms studied include physical, chemical and biological parameters that account for differences in soil behavior, cycling between soil and/or air to vegetation, adsorption and metabolism in plants, and their availability and fate following ingestion by animals

  2. Oxidation of iodide and iodine on birnessite (delta-MnO2) in the pH range 4-8.

    Science.gov (United States)

    Allard, Sébastien; von Gunten, Urs; Sahli, Elisabeth; Nicolau, Rudy; Gallard, Hervé

    2009-08-01

    The oxidation of iodide by synthetic birnessite (delta-MnO(2)) was studied in perchlorate media in the pH range 4-8. Iodine (I(2)) was detected as an oxidation product that was subsequently further oxidized to iodate (IO(3)(-)). The third order rate constants, second order on iodide and first order on manganese oxide, determined by extraction of iodine in benzene decreased with increasing pH (6.3-7.5) from 1790 to 3.1M(-2) s(-1). Both iodine and iodate were found to adsorb significantly on birnessite with an adsorption capacity of 12.7 microM/g for iodate at pH 5.7. The rate of iodine oxidation by birnessite decreased with increasing ionic strength, which resulted in a lower rate of iodate formation. The production of iodine in iodide-containing waters in contact with manganese oxides may result in the formation of undesired iodinated organic compounds (taste and odor, toxicity) in natural and technical systems. The probability of the formation of such compounds is highest in the pH range 5-7.5. For pH iodine is quickly oxidized to iodate, a non-toxic and stable sink for iodine. At pH >7.5, iodide is not oxidized to a significant extent.

  3. Iodine, krypton and xenon retention efficiencies of silver impregnated silica gel media with different silver loadings and under different test conditions

    International Nuclear Information System (INIS)

    Motes, B.G.; Fernandez, S.J.; Tkachyk, J.W.

    1983-02-01

    The purpose of an independent study conducted by Exxon Nuclear Idaho, Co. (ENICO) was to evaluate a silver impregnated silica gel adsorption medium associated with a radioiodine air sampler developed at Brookhaven National Laboratory (BNL). Specifically, ENICO's responsibility was to evaluate the iodine and noble gas retention efficiencies of the adsorption medium. The evaluation was comprised of a four-phase program: 1) test assemblies capable of challenging the silver silica gel filled adsorber canister with radioiodine species or noble gases at flow rates up to 10 scfm and relative humidities up to 83% were constructed; 2) more than 45 kgs of the 4 and 8% silver impregnated silica gel were prepared and characterized for particle size distribution, bulk silver content, bulk density, and silver content by particle size; 3) iodine species retention efficiencies of the silver silica gel were determined; and 4 krypton and xenon retention efficiencies were measured. The iodine species retention efficiencies were greater than 90% under most conditions. A combination of flow rates >5 scfm and 4% silver loaded silica gel reduced the methyl iodide retention efficiency to less than 90%. The retention efficiencies for both krypton and xenon were on the order of 8 x 10 -2 % and were not affected greatly by any test variable except test duration. A reduced retention efficiency with increased test durations indicates adsorption equilibrium may be established within five minutes. (author)

  4. Iodine capture by Hofmann-type clathrate Ni(II)(pz)[Ni(II)(CN)_4

    International Nuclear Information System (INIS)

    Massasso, Giovanni; Long, Jerome; Haines, Julien; Devautour-Vinot, Sabine; Maurin, Guillaume; Larionova, Joulia; Guerin, Christian; Guari, Yannick; Grandjean, Agnes; Onida, Barbara; Donnadieu, Bruno

    2014-01-01

    The thermally stable Hofmann-type clathrate framework Ni(II)(pz)[Ni(II)(CN)_4] (pz = pyrazine) was investigated for the efficient and reversible sorption of iodine (I_2) in the gaseous phase and in solution with a maximum adsorption capacity of 1 mol of I_2 per 1 mol of Ni(II)pz)[Ni(II)(CN)_4] in solution. (authors)

  5. On sulfur core level binding energies in thiol self-assembly and alternative adsorption sites: An experimental and theoretical study

    International Nuclear Information System (INIS)

    Jia, Juanjuan; Kara, Abdelkader; Pasquali, Luca; Bendounan, Azzedine; Sirotti, Fausto; Esaulov, Vladimir A.

    2015-01-01

    Characteristic core level binding energies (CLBEs) are regularly used to infer the modes of molecular adsorption: orientation, organization, and dissociation processes. Here, we focus on a largely debated situation regarding CLBEs in the case of chalcogen atom bearing molecules. For a thiol, this concerns the case when the CLBE of a thiolate sulfur at an adsorption site can be interpreted alternatively as due to atomic adsorption of a S atom, resulting from dissociation. Results of an investigation of the characteristics of thiol self-assembled monolayers (SAMs) obtained by vacuum evaporative adsorption are presented along with core level binding energy calculations. Thiol ended SAMs of 1,4-benzenedimethanethiol (BDMT) obtained by evaporation on Au display an unconventional CLBE structure at about 161.25 eV, which is close to a known CLBE of a S atom on Au. Adsorption and CLBE calculations for sulfur atoms and BDMT molecules are reported and allow delineating trends as a function of chemisorption on hollow, bridge, and atop sites and including the presence of adatoms. These calculations suggest that the 161.25 eV peak is due to an alternative adsorption site, which could be associated to an atop configuration. Therefore, this may be an alternative interpretation, different from the one involving the adsorption of atomic sulfur resulting from the dissociation process of the S–C bond. Calculated differences in S(2p) CLBEs for free BDMT molecules, SH group sulfur on top of the SAM, and disulfide are also reported to clarify possible errors in assignments

  6. On sulfur core level binding energies in thiol self-assembly and alternative adsorption sites: An experimental and theoretical study

    Energy Technology Data Exchange (ETDEWEB)

    Jia, Juanjuan [Institut des Sciences Moléculaires d’Orsay, Université-Paris Sud, 91405 Orsay (France); CNRS, UMR 8214, Institut des Sciences Moléculaires d’Orsay, Orsay ISMO, Bâtiment 351, Université Paris Sud, 91405 Orsay (France); Kara, Abdelkader, E-mail: abdelkader.kara@ucf.edu, E-mail: vladimir.esaulov@u-psud.fr [Department of Physics, University of Central Florida, Orlando, Florida 32816 (United States); Pasquali, Luca [Dipartimento di Ingegneria “E. Ferrari,” Università di Modena e Reggio Emilia, Via Vignolese 905, 41125 Modena (Italy); IOM-CNR, s.s. 14, Km. 163.5 in AREA Science Park, 34149 Basovizza, Trieste (Italy); Department of Physics, University of Johannesburg, P.O. Box 524, Auckland Park 2006 (South Africa); Bendounan, Azzedine; Sirotti, Fausto [Synchrotron SOLEIL, L’Orme des Merisiers, Saint-Aubin, BP 48, F-91192 Gif-sur-Yvette Cedex (France); Esaulov, Vladimir A., E-mail: abdelkader.kara@ucf.edu, E-mail: vladimir.esaulov@u-psud.fr [Institut des Sciences Moléculaires d’Orsay, Université-Paris Sud, 91405 Orsay (France); CNRS, UMR 8214, Institut des Sciences Moléculaires d’Orsay, Orsay ISMO, Bâtiment 351, Université Paris Sud, 91405 Orsay (France); IOM-CNR, s.s. 14, Km. 163.5 in AREA Science Park, 34149 Basovizza, Trieste (Italy)

    2015-09-14

    Characteristic core level binding energies (CLBEs) are regularly used to infer the modes of molecular adsorption: orientation, organization, and dissociation processes. Here, we focus on a largely debated situation regarding CLBEs in the case of chalcogen atom bearing molecules. For a thiol, this concerns the case when the CLBE of a thiolate sulfur at an adsorption site can be interpreted alternatively as due to atomic adsorption of a S atom, resulting from dissociation. Results of an investigation of the characteristics of thiol self-assembled monolayers (SAMs) obtained by vacuum evaporative adsorption are presented along with core level binding energy calculations. Thiol ended SAMs of 1,4-benzenedimethanethiol (BDMT) obtained by evaporation on Au display an unconventional CLBE structure at about 161.25 eV, which is close to a known CLBE of a S atom on Au. Adsorption and CLBE calculations for sulfur atoms and BDMT molecules are reported and allow delineating trends as a function of chemisorption on hollow, bridge, and atop sites and including the presence of adatoms. These calculations suggest that the 161.25 eV peak is due to an alternative adsorption site, which could be associated to an atop configuration. Therefore, this may be an alternative interpretation, different from the one involving the adsorption of atomic sulfur resulting from the dissociation process of the S–C bond. Calculated differences in S(2p) CLBEs for free BDMT molecules, SH group sulfur on top of the SAM, and disulfide are also reported to clarify possible errors in assignments.

  7. Predictability of iodine chemistry in the containment of a nuclear power plant under hypothetical severe accident conditions

    Energy Technology Data Exchange (ETDEWEB)

    Herranz, L.E.; Vela-Garcia, M.; Fontanet, J. [Unit of Nuclear Safety Research, CIEMAT, Madrid (Spain)

    2007-07-01

    One of the areas of top interest in the arena of severe accidents to get an accurate prediction of Source Term is Iodine Chemistry. In this paper an assessment of the current capability of MELCOR and ASTEC to predict iodine chemistry within containment in case of a postulated severe accident has been carried out. The experiments FPT1 and FPT2 of the PHEBUS-FP project have been used for comparisons, since they were carried out under rather different containment conditions during the chemistry phase (subcooled vs. saturated sump or acid vs. alkaline pH), which makes them very suitable to assess the current modeling capability of in-containment iodine chemistry models. The results obtained indicate that, even though, both integral codes have specific areas related to iodine chemistry that should be further developed and that their approach to the matter is drastically different, at present ASTEC-IODE allows for a more comprehensive simulation of the containment iodine chemistry. More importantly, lack of maturity of these codes would potentially maximize the so-called user-effect, so that it would be highly recommendable to perform sensitivity studies around iodine chemistry aspects when calculating Source Term scenarios. Key aspects needed of further research are: gaseous iodine chemistry (absent in MELCOR), organic iodine chemistry and adsorption/desorption on/from containment surfaces. (authors)

  8. Altering iodine metabolism in the calf by feeding iodine-binding agents

    International Nuclear Information System (INIS)

    Miller, J.K.; Swanson, E.W.; Lyke, W.A.; Byrne, W.F.

    1975-01-01

    Effects of feeding cottonseed meal and anion-exchange resin on iodine absorption and excretion by calves were investigated. Each additional amount of resin fed from 0.3 to 3.5 g/kg body weight further increased fecal excretion from single oral iodine-131 and intravenous iodine-125 doses. By feeding 3 to 10 g cottonseed meal/kg body weight, excretion of oral iodine-131 given daily was increased 7 to 94 percent in feces and reduced as much as 35 percent in urine, but plasma iodine-131 was not changed. Introducing 1 g resin/kg body weight daily into the diet increased fecal iodine-131 excretion three to five times that with cottonseed meal alone and reduced both plasma and urinary iodine-131. The same amount of resin fed daily had similar effects on excretion of iodine-131 injected subcutaneously each day. Although iodine depletion by a highly efficient iodine binder (resin) in the gastrointestinal tract is probable, iodine binding by a natural feed constituent (cottonseed meal) was relatively inefficient. (U.S.)

  9. Altering iodine metabolism in the calf by feeding iodine-binding agents

    International Nuclear Information System (INIS)

    Miller, J.K.; Swanson, E.W.; Lyke, W.A.; Byrne, W.F.

    1975-01-01

    Effects of feeding cottonseed meal and anion-exchange resin on iodine absorption and excretion by calves were investigated. Each additional amount of resin fed from 0.3 to 3.5 g/kg body weight further increased fecal excretion from single oral iodine-131 and intravenous iodine-125 doses. By feeding 3 to 10 g cottonseed meal/kg body weight, excretion of oral iodine-131 given daily was increased 7 to 94 percent in feces and reduced as much as 35 percent in urine, but plasma iodine-131 was not changed. Introducing 1 g resin/kg body weight daily into the diet increased fecal iodine-131 excretion three to five times that with cottonseed meal alone and reduced both plasma and urinary iodine-131. The same amount of resin fed daily had similar effects on excretion of iodine-131 injected subcutaneously each day. Although iodine depletion by a highly efficient iodine binder (resin) in the gastrointestinal tract is probable, iodine binding by a natural feed constituent (cottonseed meal) was relatively inefficient. (auth)

  10. Oxygen adsorption and dissociation during the oxidation of monolayer Ti2C

    KAUST Repository

    Gan, Liyong

    2013-08-20

    Exfoliated two-dimensional early transition metal carbides and carbonitrides are usually not terminated by metal atoms but saturated by O, OH, and/or F, thus making it difficult to understand the surface structure evolution and the induced electronic modifications. To fill this gap, density functional theory and molecular dynamics simulations are performed to capture the initial stage of the oxidation process of Ti2C, a prototypical example from the recently fabricated class of two-dimensional carbides and carbonitrides. It is shown that the unsaturated Ti 3d orbitals of the pristine Ti2C surface interact strongly with the approaching O2 molecules, resulting in barrierless O2 dissociation. The diffusion of the dissociated O atoms is also found to be very facile. Molecular dynamics simulations suggest that both dissociation and diffusion are enhanced as the O2 coverage increases to 0.25 monolayer. For a coverage of less than 0.11 monolayer, the adsorbates lead to a minor modification of the electronic properties of Ti2C, while the modification is remarkable at 0.25 monolayer. The formed Ti2CO2 after O saturation is an indirect narrow gap semiconductor (0.33 eV) with high intrinsic carrier concentration at room temperature and high thermodynamic stability at intermediate temperature (e.g., 550 °C).

  11. Oxygen adsorption and dissociation during the oxidation of monolayer Ti2C

    KAUST Repository

    Gan, Liyong; Huang, Dan; Schwingenschlö gl, Udo

    2013-01-01

    Exfoliated two-dimensional early transition metal carbides and carbonitrides are usually not terminated by metal atoms but saturated by O, OH, and/or F, thus making it difficult to understand the surface structure evolution and the induced electronic modifications. To fill this gap, density functional theory and molecular dynamics simulations are performed to capture the initial stage of the oxidation process of Ti2C, a prototypical example from the recently fabricated class of two-dimensional carbides and carbonitrides. It is shown that the unsaturated Ti 3d orbitals of the pristine Ti2C surface interact strongly with the approaching O2 molecules, resulting in barrierless O2 dissociation. The diffusion of the dissociated O atoms is also found to be very facile. Molecular dynamics simulations suggest that both dissociation and diffusion are enhanced as the O2 coverage increases to 0.25 monolayer. For a coverage of less than 0.11 monolayer, the adsorbates lead to a minor modification of the electronic properties of Ti2C, while the modification is remarkable at 0.25 monolayer. The formed Ti2CO2 after O saturation is an indirect narrow gap semiconductor (0.33 eV) with high intrinsic carrier concentration at room temperature and high thermodynamic stability at intermediate temperature (e.g., 550 °C).

  12. Recovery of iodine as iodine-125 from biological materials prior to assay

    International Nuclear Information System (INIS)

    Jones, G.B.; Belling, G.B.; Buckley, R.A.

    1979-01-01

    In biological tissues iodine is usually present as iodoamino acids or iodoproteins. The organic material must be oxidised and the iodine converted into iodate prior to the final spectrophotometric determination. At parts per billion (10 9 ) levels, recoveries of added iodine are difficult to measure precisely as iodine can easily be lost from the sample and added inorganic iodine may not be recovered in the same proportions as the naturally occurring iodine. Iodine-125 provides a much more sensitive, specific and accurate means of testing the recovery of nanogram amounts of iodine from biological tissues and it can be incorporated into tissues in the naturally occurring compounds. Plants can be grown in a solution culture containing iodine-125 and animals can be injected with iodine-125 to provide tissues where naturally occurring iodine compounds are labelled with radioactive iodine. These tissues can be used to examine the recovery of iodine after oven drying, freeze drying, alkali ashing and acid digestion of the samples. Experimental details are given for spinach, tobacco, oats, cauliflower and thyroid. Results are given and discussed. (author)

  13. Iodine leaflets in chapter D5 'Distribution of iodine pills'

    International Nuclear Information System (INIS)

    1981-01-01

    Jodine leaflet A will be distributed together with iodine pills in a nuclear disaster. Iodine leaflet B is suitable for informing the public in advance. Iodine leaflet C informs physicians in a scientific way on the benefits and risk of iodine pills. (orig./HP) [de

  14. Perchlorate, iodine supplements, iodized salt and breast milk iodine content

    Energy Technology Data Exchange (ETDEWEB)

    Kirk, Andrea B. [Department of Epidemiology, School of Public Health, University of North Texas Health Sciences Center, 3500 Camp Bowie Blvd., Fort Worth, TX 76107 (United States); Kroll, Martina; Dyke, Jason V.; Ohira, Shin-Ichi; Dias, Rukshan A.; Dasgupta, Purnendu K. [Department of Chemistry and Biochemistry, 700 Planetarium Place, University of Texas at Arlington, Arlington, TX 76019 (United States)

    2012-03-15

    This study was undertaken to determine if increasing maternal iodine intake through single dose tablets will decrease breast milk concentrations of the iodine-uptake inhibitor, perchlorate, through competitive inhibition. We also sought to determine if the timing of supplementation influences the fraction of iodine excreted in milk versus urine and to compare the effectiveness of iodized salt as a means of providing iodine to breastfed infants. Thirteen women who did not use supplements, seven of whom used iodized salt and six of whom used non-iodized salt, submitted four milk samples and a 24-h urine collection daily for three days. Women repeated the sampling protocol for three more days during which {approx} 150 {mu}g of iodine were taken in the evening and again for three days with morning supplementation. Samples were analyzed using isotope-dilution inductively-coupled plasma-mass spectrometry for iodine and isotope-dilution ion chromatography-tandem mass spectrometry for perchlorate. No statistically significant differences were observed in milk iodine or perchlorate concentrations during the two treatment periods. Estimated perchlorate intake was above the U.S. National Academy of Sciences suggested reference dose for most infants. Single daily dose iodine supplementation was not effective in decreasing milk perchlorate concentrations. Users of iodized salt had significantly higher iodine levels in milk than non-users. Iodized salt may be a more effective means of iodine supplementation than tablets. - Highlights: Black-Right-Pointing-Pointer Estimated infant exposures to perchlorate were, on a {mu}g/kg basis, {approx} 5 Multiplication-Sign higher than those of mothers. Black-Right-Pointing-Pointer Daily supplements are less effective than iodized salt in providing iodine to lactating women. Black-Right-Pointing-Pointer Low iodine and high perchlorate in milk may place infants at risk of iodine deficiency.

  15. Iodine deficiency and iodine excess in Jiangsu Province, China

    NARCIS (Netherlands)

    Zhao, J.

    2001-01-01

    Keywords:
    iodine deficiency, iodine excess, endemic goiter, drinking water, iodine intake, thyroid function, thyroid size, iodized salt, iodized oil, IQ, physical development, hearing capacity, epidemiology, meta-analysis, IDD, randomized trial, intervention, USA, Bangladesh,

  16. Applicability of Activated Carbon to Treatment of Waste Containing Iodine-Labeled Compounds

    International Nuclear Information System (INIS)

    Gad, H.M.H.; El-Mouhty, N.R.A.; Aly, H.F.

    2008-01-01

    The applicability of activated carbon prepared from sawdust (SD) by one-step chemical activation process using H 3 PO 4 (H) to treatment of aqueous waste contaminated with iodine-labeled prolactin (I-PRL) has been investigated. Treatment processes were performed under the varying conditions; contact time, temperature, carbon type, carbon dosage, and different particle size of activated carbon (SDH). Effect of aqueous waste volume has been investigated to calculate the batch factor (V/M) and the distribution coefficient (K d ). The used activated carbon (SDH) was characterized by N 2 adsorption, FTIR, density, ph, point of zero charge ph p zc, moisture and ash content. Methylene blue (MB) and iodine number was calculated by adsorption from solution. In order to investigate the mechanism of sorption and potential rate controlling steps, pseudo first- and second-order equations, intra particle diffusion equation and the Elovich equation have been used to test experimental data. Kinetic analysis of the four models has been carried out for system variables in order to assess which model provides the best fit predicted data with experimental results. 7 M NaOH can be used for regeneration of spent SDH activated carbon with the efficiency of 99.6% and the regenerated carbon can be reused for five cycles effectively. The prospect of applying the SDH activated carbon prepared from agricultural by-product, sawdust, to treatment of aqueous waste contaminated with I-PRL appears promising and is considered highly applicable because of its high adsorption capacity, available at low cost, easily regenerated and reused

  17. Iodine in diet

    Science.gov (United States)

    Diet - iodine ... Many months of iodine deficiency in a person's diet may cause goiter or hypothyroidism . Without enough iodine, ... and older children. Getting enough iodine in the diet may prevent a form of physical and intellectual ...

  18. Iodine and thyroid function

    Directory of Open Access Journals (Sweden)

    Hye Rim Chung

    2014-03-01

    Full Text Available Severe iodine deficiency causes hypothyroidism that results in impaired somatic growth and motor development in children. Mild and moderate iodine deficiencies cause multifocal autonomous growth of thyroid, which results in thyrotoxicosis. On the other hand, iodine excess is associated with the development of hypothyroidism and thyroid autoimmunity. In areas of iodine deficiency, a sudden increase in iodine intake is associated with transient hyperthyroidism. Recent studies demonstrated that long-term thyroid function of subjects who experienced both iodine deficiency and iodine excess during childhood tended to be abnormal despite optimization of their current iodine intake. Iodine status in the Korean Peninsula is very unique because people in the Republic of Korea have been shown to have predominantly excessive iodine levels, whereas the Democratic People's Republic of Korea is known to be an iodine-deficient area. Further research is warranted to verify the optimal ranges of iodine intake and to clarify the effects of iodine intake on thyroid disorders in the Korean Peninsula.

  19. Iodine Deficiency

    NARCIS (Netherlands)

    Zimmermann, M.B.

    2009-01-01

    Iodine deficiency has multiple adverse effects in humans, termed iodine deficiency disorders, due to inadequate thyroid hormone production. Globally, it is estimated that 2 billion individuals have an insufficient iodine intake, and South Asia and sub-Saharan Africa are particularly affected.

  20. Probing the active sites for CO dissociation on ruthenium nanoparticles

    DEFF Research Database (Denmark)

    Strebel, Christian Ejersbo; Murphy, Shane; Nielsen, Rasmus Munksgård

    2012-01-01

    affect the CO dissociation activity. The Ru nanoparticles were synthesized in a UHV chamber by gas-aggregation magnetron sputtering in the size range from 3 to 15 nm and the morphology was investigated in situ by scanning tunneling microscopy and ex situ by high resolution transmission electron...... microscopy. Surprisingly, it was found that larger particles were more active per surface area for CO dissociation. It is suggested that this is due to larger particles exposing a more rough surface than the smaller particles, giving rise to a higher relative amount of under-coordinated adsorption sites...... on the larger particles. The induced surface roughness is proposed to be a consequence of the growth processes in the gas-aggregation chamber....

  1. Iodine, krypton and xenon retention efficiencies of silver impregnated silica gel media with different silver loadings and under different test conditions

    Energy Technology Data Exchange (ETDEWEB)

    Motes, B G; Fernandez, S J; Tkachyk, J W

    1983-02-01

    The purpose of an independent study conducted by Exxon Nuclear Idaho, Co. (ENICO) was to evaluate a silver impregnated silica gel adsorption medium associated with a radioiodine air sampler developed at Brookhaven National Laboratory (BNL). Specifically, ENICO's responsibility was to evaluate the iodine and noble gas retention efficiencies of the adsorption medium. The evaluation was comprised of a four-phase program: 1) test assemblies capable of challenging the silver silica gel filled adsorber canister with radioiodine species or noble gases at flow rates up to 10 scfm and relative humidities up to 83% were constructed; 2) more than 45 kgs of the 4 and 8% silver impregnated silica gel were prepared and characterized for particle size distribution, bulk silver content, bulk density, and silver content by particle size; 3) iodine species retention efficiencies of the silver silica gel were determined; and 4 krypton and xenon retention efficiencies were measured. The iodine species retention efficiencies were greater than 90% under most conditions. A combination of flow rates >5 scfm and 4% silver loaded silica gel reduced the methyl iodide retention efficiency to less than 90%. The retention efficiencies for both krypton and xenon were on the order of 8 x 10{sup -2}% and were not affected greatly by any test variable except test duration. A reduced retention efficiency with increased test durations indicates adsorption equilibrium may be established within five minutes. (author)

  2. Dissociative Photoionization of 1-Halogenated Silacyclohexanes: Silicon Traps the Halogen.

    Science.gov (United States)

    Bodi, Andras; Sigurdardottir, Katrin Lilja; Kvaran, Ágúst; Bjornsson, Ragnar; Arnason, Ingvar

    2016-11-23

    The threshold photoelectron spectra and threshold photoionization mass spectra of 1-halogenated-1-silacyclohexanes, for the halogens X = F, Cl, Br, and I, have been obtained using synchrotron vacuum ultraviolet radiation and photoelectron photoion coincidence spectroscopy. As confirmed by a similar ionization onset and density functional theory molecular orbitals, the ionization to the ground state is dominated by electron removal from the silacyclohexane ring for X = F, Cl, and Br, and from the halogen lone pair for X = I. The breakdown diagrams show that the dissociative photoionization mechanism is also different for X = I. Whereas the parent ions decay by ethylene loss for X = F to Br in the low-energy regime, the iodine atom is lost for X = I. The first step is followed by a sequential ethylene loss at higher internal energies in each of the compounds. It is argued that the tendency of silicon to lower bond angles stabilizes the complex cation in which C 2 H 4 is η 2 -coordinated to it, and which precedes ethylene loss. Together with the relatively strong silicon-halogen bonds and the increased inductive effect of the silacyclohexane ring in stabilizing the cation, this explains the main differences observed in the fragmentation of the halogenated silacyclohexane and halogenated cyclohexane ions. The breakdown diagrams have been modeled taking into account slow dissociations at threshold and the resulting kinetic shift. The 0 K appearance energies have been obtained to within 0.08 eV for the ethylene loss for X = F to Br (10.56, 10.51, and 10.51 eV, respectively), the iodine atom loss for X = I (10.11 eV), the sequential ethylene loss for X = F to I (12.29, 12.01, 11.94, and 11.86 eV, respectively), and the minor channels of H loss for X = F (10.56 eV) and propylene loss in X = Cl (also at 10.56 eV). The appearance energies for the major channels likely correspond to the dissociative photoionization reaction energy.

  3. Methodology study for fixation of radioactive iodine in polymeric substrate for brachytherapy sources

    International Nuclear Information System (INIS)

    Rodrigues, Bruna T.; Rostelato, Maria Elisa C.M.; Souza, Carla D.; Tiezzi, Rodrigo; Souza, Daiane B. de; Benega, Marcos A.G.; Souza, Anderson S. de; Peleias Junior, Fernando S.; Zeituni, Calos A.; Fernandes, Vagner; Melo, Emerson Ronaldo de; Camargo, Anderson Rogerio de

    2015-01-01

    Cancer is now the second leading cause of death by disease in several countries, including Brazil. Prostate cancer is the most common among men. Brachytherapy is a modality of radiotherapy in which radioactive seeds are placed inside or in contact with the organ to be treated. The most widely used radioisotope in prostate brachytherapy is Iodine-125 which is presented fixated on a silver substrate that is subsequently placed inside a titanium capsule. A large dose of radiation is released only in the targeted tumor protecting healthy surrounding tissues. The technique requires the application of 80 - 120 seeds per patient. The implants of seeds have low impact and non-surgical procedures. Most patients can return to normal life within three days with little or no pain. This work proposes an alternative to the seeds that have already been developed, in order to reduce the cost by obtaining a better efficiency on fixing the radioactive iodine onto the epoxy resin. Methods have been developed to perform the fixation of Iodine-125 onto polymeric substrates. The parameters analyzed were the immersion time, type of static or dynamic reaction, concentration of the adsorption solution, the specific activity of the radioactive source, the need for carrier and chemical form of the radioactive Iodine. These experiments defined the most effective method to fixate the Iodine onto the polymeric material (epoxy resin), the Iodine activity in the polymeric substrate, the activity of the distribution of variation in a plot of polymeric cores and the efficiency of the epoxy resin to seal the seed. (author)

  4. Edge reactivity and water-assisted dissociation on cobalt oxide nanoislands

    International Nuclear Information System (INIS)

    Fester, J.; García-Melchor, M.; Walton, A. S.; Bajdich, M.

    2017-01-01

    Here, transition metal oxides show great promise as Earth-abundant catalysts for the oxygen evolution reaction in electrochemical water splitting. However, progress in the development of highly active oxide nanostructures is hampered by a lack of knowledge of the location and nature of the active sites. Here we show, through atom-resolved scanning tunnelling microscopy, X-ray spectroscopy and computational modelling, how hydroxyls form from water dissociation at under coordinated cobalt edge sites of cobalt oxide nanoislands. Surprisingly, we find that an additional water molecule acts to promote all the elementary steps of the dissociation process and subsequent hydrogen migration, revealing the important assisting role of a water molecule in its own dissociation process on a metal oxide. Inspired by the experimental findings, we theoretically model the oxygen evolution reaction activity of cobalt oxide nanoislands and show that the nanoparticle metal edges also display favourable adsorption energetics for water oxidation under electrochemical conditions.

  5. Adsorption of CO on, and S poisoning of, a perfect Ni(111) single crystal and a Ni(111) crystal with small angle boundaries

    Energy Technology Data Exchange (ETDEWEB)

    Sargent, G A; Freeman, G B; Chao, J L.R.

    1980-01-01

    A Ni(111) crystal with small angle boundaries was used to examine the adsorption of CO. The adsorption of CO on a perfect Ni(111) single crystal was used for reference. Auger spectra show that the boundary lines on the sample surface provide favorable sites for the adsorbed CO to dissociate at temperatures as low as 25/sup 0/C. The post-dissociation carbon appears mostly in the form of a nickel carbide on the surface. After heating the crystal to 850/sup 0/C, sulfur diffused to the surface and blocked the surface adsorption sites uniformly. The boundary-enhanced dissociation of absorbed CO is no longer observed after the diffusion of sulfur to the crystal surface. AES depth profiling of sulfur concentration at different positions on the crystal with respect to the boundary lines show no evidence that the boundary lines provide an enhanced path for sulfur diffusion. 7 figures.

  6. Experimental study on iodine chemistry (EXSI) - Containment experiments with elemental iodine

    Energy Technology Data Exchange (ETDEWEB)

    Kaerkelae, T.; Auvinen, A. (VTT Technical Research Centre of Finland (Finland)); Holm, J.; Ekberg, C. (Chalmers Univ. of Technology (Sweden)); Glaenneskog, H. (Vattenfall Power Consultant (Sweden))

    2009-10-15

    The behaviour of iodine during a severe accident has been studied in several experimental programs, ranging from the large-scale PHEBUS FP tests and intermediate-scale ThAI tests to numerous separate effect studies. Oxidation of iodine in gas phase has been one of the greatest remaining uncertainties in iodine behaviour during a severe accident. In this study the possible formation of iodine oxide aerosol due to radiolytic oxidation of gaseous iodine is experimentally tested and the reaction products are analysed. The experimental facility applied in this study is based on the sampling system built at VTT for ISTP program project CHIP conducted IRSN. The experimental facility and the measuring technology are sophisticated and unique in the area of nuclear research as well as in the field of aerosol science. The results from the experiments show an extensive particle formation when ozone and gaseous iodine react with each other. The formed particles were collected on filters, while gaseous iodine was trapped into bubbles. The particles were iodine oxides and the size of particles was approximately 100 nm. The transport of gaseous iodine through the facility decreased when both gaseous iodine and ozone were fed together into facility. Experimental study on radiolytic oxidation of iodine was conducted in co-operation between VTT and Chalmers University of Technology as a part of the NKS-R programs. (author)

  7. Experimental study on iodine chemistry (EXSI) - Containment experiments with elemental iodine

    International Nuclear Information System (INIS)

    Kaerkelae, T.; Auvinen, A.; Holm, J.; Ekberg, C.; Glaenneskog, H.

    2009-10-01

    The behaviour of iodine during a severe accident has been studied in several experimental programs, ranging from the large-scale PHEBUS FP tests and intermediate-scale ThAI tests to numerous separate effect studies. Oxidation of iodine in gas phase has been one of the greatest remaining uncertainties in iodine behaviour during a severe accident. In this study the possible formation of iodine oxide aerosol due to radiolytic oxidation of gaseous iodine is experimentally tested and the reaction products are analysed. The experimental facility applied in this study is based on the sampling system built at VTT for ISTP program project CHIP conducted IRSN. The experimental facility and the measuring technology are sophisticated and unique in the area of nuclear research as well as in the field of aerosol science. The results from the experiments show an extensive particle formation when ozone and gaseous iodine react with each other. The formed particles were collected on filters, while gaseous iodine was trapped into bubbles. The particles were iodine oxides and the size of particles was approximately 100 nm. The transport of gaseous iodine through the facility decreased when both gaseous iodine and ozone were fed together into facility. Experimental study on radiolytic oxidation of iodine was conducted in co-operation between VTT and Chalmers University of Technology as a part of the NKS-R programs. (author)

  8. Investigations on the retention of 131I by an iodine filter of a pressurized water reactor

    International Nuclear Information System (INIS)

    Deuber, H.; Gerlach, K.

    1983-09-01

    The retention of 131 I by an equipment room exhaust filter of a German pressurized water reactor was determined by various methods to particularly obtain reliable results. Moreover, investigations were performed to clarify the reason for aging of the carbon contained in the iodine filter mentioned. The actual retention of the organic 131 I, corresponding to a value of 99.9%, was limited by 131 I in the form of penetrating iodine compounds. It was lower than the retention of CH 3 131 I under layout conditions by more than one order of magnitude. The aging was essentially caused by the adsorption of low-volatile organic compounds. (orig.) [de

  9. Investigations on the retention of I-131 by an iodine filter of a pressurized water reactor

    International Nuclear Information System (INIS)

    Deuber, H.; Gerlach, K.

    1984-01-01

    The retention of I-131 by an equipment room exhaust filter of a German pressurized water reactor was determined by various methods to particularly obtain reliable results. Moreover, investigations were performed to clarify the reason for aging of the carbon contained in the iodine filter mentioned. The actual retention of the organic I-131, corresponding to a value of 99.9%, was limited by I-131 in the form of penetrating iodine compounds. It was lower than the retention of CH 3 I-131 under layout conditions by more than one order of magnitude. The aging was essentially caused by the adsorption of low-volatile organic compounds. (orig.) [de

  10. Iodine intake in Ireland

    International Nuclear Information System (INIS)

    Smith, P.P.A.; Hetherton, A.M.; O'Carroll, D.; Smith, D.F.; O'Halloran, M.J.; O'Donovan, D.K.

    1988-01-01

    A study of urinary iodine excretion and thyroid gland uptake of radioactive iodine 131 I was undertaken in the Dublin area with a view to providing data on the current iodine status in Ireland. A mean urinary iodine excretion of 118±82μg/gram creatinine (Median 96) obtained from 821 subjects attending general hospital outpatient clinics in the Dublin area in 1987, while excluding severe iodine deficiency in this particular cohort, obscured the fact that 250 (30%) had iodine excretion values ≤70 μ/g creatinine, a value approximating to the minimum daily iodine requirement. The results provide sufficient evidence of sporadic iodine deficiency to justify a more widespread study of the iodine status of the Irish population with a view to making recommendations on the possible need for iodine prophylaxis

  11. Iodination of phenol

    International Nuclear Information System (INIS)

    Christiansen, J.V.; Feldthus, A.; Carlsen, L.

    1990-01-01

    Phenol is iodinated in aqueous solution at pH 5 (acetate buffer) by elemental iodine or, if the iodine is present as iodide, enzymatically controlled by peroxidases. Generally mono-, di- and triiodophenols are obtained, the overall product composition being virtually identical for the two iodination modes. However, there is a tendency to a higher para to ortho ratio for the enzymatically controlled reaction. The mutual ratios of the single iodophenols depends on the initial concentration ratio between phenol and the iodinating species. The first step in the iodination leads preferentially to substitution in the ortho position rather than in the para position in contract to e.g. the corresponding bromination. The relative rates of the competive reactions in the combined iodination scheme has been derived. (author) 2 tabs., 3 ills., 15 refs

  12. Iodine/steel reactions under severe accident conditions in LWR's

    International Nuclear Information System (INIS)

    Funke, F.; Greger, G-U.; Hellman, S.; Bleier, A.; Morell, W.

    1994-01-01

    Due to large surface areas, the reaction of volatile, molecular iodine (I 2 ) with steel surfaces in the containment may play an important role in predicting the source term to the environment. Both wall retention of iodine and conversion of volatile into non-volatile iodine compounds at steel surfaces have to be considered. Two types of laboratory experiments were carried out at Siemens/KWU in order to investigate the reaction of I 2 at steel surfaces representative for German power plants. 1) For steel coupons submerged in an I 2 solution at T = 50 deg C, 90 deg C or 140 deg C the reaction rate of the I 2 /I - conversion was determined. No iodine loading was observed on the steel in the aqueous phase tests. I 2 reacts with the steel components (Fe, Cr or Ni) to form metal iodides on the surface which are all immediately dissolved in water under dissociation into the metal and the iodide ions. From these experiments, the I 2 /I - conversion rate constants over the temperature range 50 deg C - 140 deg C as well as the activation energy were determined. The measured data are suitable to be included in severe accident iodine codes such as IMPAIR. 2) Steel tubes were exposed to a steam/I 2 flow under dry air at T=120 deg C and steam-condensing conditions at T= 120 deg C and 160 deg C. In dry air I 2 was retained on the steel surface and a deposition rate constant was measured. Under steam-condensing conditions there is an effective conversion of volatile I 2 to non-volatile I - which is subsequently washed off from the steel surface. The I 2 /I - conversion rate constants suitable for modelling this process were determined. No temperature dependency was found in the range 120 deg C - 160 deg C. (author). 4 refs., 2 tabs., 7 figs

  13. H2S adsorption and decomposition on the gradually reduced α-Fe2O3(001) surface: A DFT study

    Science.gov (United States)

    Lin, Changfeng; Qin, Wu; Dong, Changqing

    2016-11-01

    Reduction of iron based desulfurizer occurs during hot gas desulfurization process, which will affect the interaction between H2S and the desulfurizer surface. In this work, a detailed adsorption behavior and dissociation mechanism of H2S on the perfect and reduced α-Fe2O3(001) surfaces, as well as the correlation between the interaction characteristic and reduction degree of iron oxide, have been studied by using periodic density functional theory (DFT) calculations. Results demonstrate that H2S firstly chemisorbs on surface at relatively higher oxidation state (reduction degree χ 33%. Reduction of iron oxide benefits the H2S adsorption. Further, dissociation processes of H2S via molecular and dissociative adsorption were investigated. Results show that after reduction of Fe2O3 into the oxidation state around FeO and Fe, the reduced surface exhibits very strong catalytic capacity for H2S decomposition into S species. Meanwhile, the overall dissociation process on all surfaces is exothermic. These results provide a fundamental understanding of reduction effect of iron oxide on the interaction mechanism between H2S and desulfurizer surface, and indicate that rational control of reduction degree of desulfurizer is essential for optimizing the hot gas desulfurization process.

  14. Iodine and Pregnancy

    OpenAIRE

    Yarrington, Christina; Pearce, Elizabeth N.

    2011-01-01

    Iodine is a necessary element for the production of thyroid hormone. We will review the impact of dietary iodine status on thyroid function in pregnancy. We will discuss iodine metabolism, homeostasis, and nutritional recommendations for pregnancy. We will also discuss the possible effects of environmental contaminants on iodine utilization in pregnant women.

  15. Delayed development, death and abnormal thyroglobulin in rats maintained on low-iodine diets

    International Nuclear Information System (INIS)

    Van Middlesworth, L.

    1976-01-01

    Rats weaned on Remington Low Iodine Diet (0.006 to 0.009 μgI/g) grew poorly, were very slow to breed, and 83% of their pups died in the neonatal period. A large iodide supplement (100μgI/d) improved growth of the females to almost normal but did not improve growth of males. With the iodide supplement they bred at an earlier age than rats fed the low iodide Remington diet but still 73% of the pups died before weaning. The addition of a vitamin mixture (biotin, vitamin B 12 , E, patothenic acid, riboflavin, thiamine and pyridoxine) to Remington Diet resulted in delayed pregnancies but 86% survival of offspring. A more nutritious low-iodine diet with a 'complete' mineral and vitamin supplement improved growth and survival, and the litters were delivered at the normal time. However, this more complete diet contained more iodine than the Remington diet. During the neonatal period, all the low iodine diets resulted in offspring that were unable to make T 3 as readily as adults fed the same diet. Pups from dams fed the Remington diet had thyroblobulin with lower sedimentation constants (18S and 12S) than was found in normal newborns. This unfolded and dissociated thyroglobulin may be an inadequate source of thyroid hormones, but it may hydrolyse more rapidly than normal 19S thyroglobulin. It is concluded that rats raised on a diet severely deficient in iodine were unable to litter until they were older than normal rats, and the survival of the offspring was poor unless the diet was supplemented with a vitamin mixture. The synthesis of thyroid hormones in low iodine neonatal rats was more severely impaired than in adults. (author)

  16. Iodine

    Science.gov (United States)

    ... Health Information Supplement Fact Sheets Frequently Asked Questions Making Decisions What you Need To Know About Supplements Dietary ... mild iodine deficiency and of iodine supplements on cognitive ... breasts. It mainly affects women of reproductive age but can also occur ...

  17. Low-level seaweed supplementation improves iodine status in iodine-insufficient women.

    Science.gov (United States)

    Combet, Emilie; Ma, Zheng Feei; Cousins, Frances; Thompson, Brett; Lean, Michael E J

    2014-09-14

    Iodine insufficiency is now a prominent issue in the UK and other European countries due to low intakes of dairy products and seafood (especially where iodine fortification is not in place). In the present study, we tested a commercially available encapsulated edible seaweed (Napiers Hebridean Seagreens® Ascophyllum nodosum species) for its acceptability to consumers and iodine bioavailability and investigated the impact of a 2-week daily seaweed supplementation on iodine concentrations and thyroid function. Healthy non-pregnant women of childbearing age, self-reporting low dairy product and seafood consumption, with no history of thyroid or gastrointestinal disease were recruited. Seaweed iodine (712 μg, in 1 g seaweed) was modestly bioavailable at 33 (interquartile range (IQR) 28-46) % of the ingested iodine dose compared with 59 (IQR 46-74) % of iodine from the KI supplement (n 22). After supplement ingestion (2 weeks, 0·5 g seaweed daily, n 42), urinary iodine excretion increased from 78 (IQR 39-114) to 140 (IQR 103-195) μg/l (Pseaweed was palatable and acceptable to consumers as a whole food or as a food ingredient and effective as a source of iodine in an iodine-insufficient population. In conclusion, seaweed inclusion in staple foods would serve as an alternative to fortification of salt or other foods with KI.

  18. Processes of H{sub 2} adsorption on Fe(1 1 0) surface: A density functional theory study

    Energy Technology Data Exchange (ETDEWEB)

    Xie, Weiwei; Peng, Liang; Peng, Daoling [Key Laboratory of Theoretical Chemistry of Environment, Ministry of Education, School of Chemistry and Environment, South China Normal University, Guangzhou 510006 (China); Gu, Feng Long, E-mail: gu@scnu.edu.cn [Key Laboratory of Theoretical Chemistry of Environment, Ministry of Education, School of Chemistry and Environment, South China Normal University, Guangzhou 510006 (China); Liu, Jun [Material Design and Simulation Technology Co. Ltd., Room 1716, V-Faction, 10 Vanke, 2 Ring Road of North Section, Chengdu (China)

    2014-03-01

    Highlights: • The hydrogen coverages for H{sub 2} adsorption on Fe(1 1 0) surface ranging from 0.125 to 1.000 are prepared by using different surface supercells. • With the reduction of coverage, the average iron atomic energy is increased and the adsorption energy is decreased, leading to the system more stable; while coverage has little effect on the Fe(1 1 0) surface structure and the hydrogen adsorption process. • The most stable absorption site is found to be the on-top site. • DFT calculations show that it is a weak adsorption and the adsorption energy barriers under 4.4 kcal/mol. • The final state is H{sub 2} molecule dissociated into two hydrogen atoms interacting with surface iron atoms to form stable Fe-H bonds. - Abstract: Processes of H{sub 2} adsorption on Fe(1 1 0) surface have been studied by the density functional theory, properties such as surface structure, adsorption position, and adsorption energies are discussed as well. To investigate the atomic geometries and stability under different hydrogen coverages for this adsorption, the hydrogen coverages ranging from 0.125 to 1.000 are prepared by using different surface supercells. It is found that with the reduction of coverage, the average iron atomic energy and the adsorption energy are increased, leading to the system more stable; while coverage has little effect on the Fe(1 1 0) surface structure and the hydrogen adsorption process. The most stable absorption site is found to be the on-top site. Our calculations show that it is a weak adsorption and the adsorption energy barriers under 4.4 kcal/mol. The final state is H{sub 2} molecule dissociated into two hydrogen atoms and interacting with surface iron atoms to form stable Fe-H bonds.

  19. Iodine-131 production by a dry method using reactor-irradiated elementary tellurium. Part 1 - Conditions for obtaining iodine emanation and its capture. Part 2 - comparative study of preparation conditions using Pyrex, stainless steel and alumina equipment. Part 3 - production on a semi-industrial scale; Production de l'iode 131 par voie seche a partir de tellure elementaire irradie a la pile. 1ere partie - Etudes des conditions pour obtenir l'emanation de l'iode et le capter. 2eme partie - Etude comparee des conditions pour effectuer cette preparation avec des appareils en Pyrex, en acier inoxydable et en alumine. 3eme partie - production a l'echelle semi-industrielle

    Energy Technology Data Exchange (ETDEWEB)

    Bardy, A; Beydon, J; Murthy, T S; Doyen, J B; Lefrancois, J [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1967-04-15

    A previous report has described how iodine 131 can be prepared from elementary tellurium by a dry method which consists in treating irradiated tellurium at 400 degrees in argon. The possibility of carrying out this treatment in a stainless steel or alumina apparatus has been considered. The behavior of gaseous iodine 131 towards these materials has thus been studied. If the adsorption of iodine on stainless steel is superficial desorption is rapid at 250 degrees in oxygen or 400 degrees in argon. If the adsorption is chemical in nature it becomes necessary to heat to higher temperatures. Adsorption of iodine on alumina is very weak and the iodine can be desorbed rapidly. With these materials tests have been carried out on 300 gms of tellurium containing 41 curies of iodine 131; the yields were very satisfactory ( 98 per cent). (author) [French] La methode de preparation de l iode 131 par voie seche a partir de tellure elementaire decrite dans un precedent rapport consiste a traiter le tellure irradie a 400 degres sous argon. Nous avons examine la possibilite d effectuer ce traitement dans un appareil en acier inoxidable ou en alumine. Le comportement de l iode 131 gazeux vis a vis de ces materiaux a donc ete etudie. Si l adsorption de l iode sur l acier inoxidable est superficielle la desorption est rapide a 250 degres sous oxygene ou 400 degres sous argon. Si la fixation est de nature chimique il est necessaire de chauffer a des temperatures plus elevees. L adsorption de l iode sur l alumine est res faible et l iode peut etre desorbe rapideemnt. En employant ces materiaux des essais ont ete obtenus sur 300 g de tellure contenant 41 curies d iode 131 avec un bon rendement (98 pour cent). (auteur00.

  20. A Spectroscopic Method for Determining Free Iodine in Iodinated Fatty-Acid Esters

    Science.gov (United States)

    Klyubin, V. V.; Klyubina, K. A.; Makovetskaya, K. N.

    2018-01-01

    It is shown that the concentration of free iodine in samples of iodinated fatty-acid esters can be measured using the electronic absorption spectra of their solutions in ethanol. The method proposed is rather simple in use and highly sensitive, allowing detection of presence of less than 10 ppm of free iodine in iodinated compounds. It is shown using the example of Lipiodol that this makes it possible to easily detect small amounts of free iodine in samples containing bound iodine in concentrations down to 40 wt %.

  1. Behavior of highly radioactive iodine on charcoal in moist air

    International Nuclear Information System (INIS)

    Lorenz, R.A.; Manning, S.R.; Martin, W.J.

    1976-01-01

    The behavior of highly radioactive iodine adsorbed on charcoal exposed to moist air (110 torr water vapor partial pressure) was investigated in a series of six experiments. The amount of radioactive 130 I on the well-insulated 28-cm 3 bed ranged from 50 to 570 Ci, and the relative humidity was 47 percent at the bed inlet temperature of 70 0 C. Radioactive iodine was released from the test beds at a continuous fractional release rate of approximately 7 x 10 -6 /hr for all types of charcoal tested. The chemical form of the released iodine was such that it was very highly penetrating with respect to the nine different types of commercial impregnated charcoals tested in backup collection beds. Two types of silver-nitrate-coated adsorption materials behaved similarly to the charcoals. Silver-exchanged type 13-X molecular sieve adsorbers were 20 to 50 times more efficient for adsorbing the highly penetrating iodine, but not as efficient as normally found for collecting methyl iodide. The chemical form of the highly penetrating iodine was not determined. When the moist air velocity was decreased from 28.5 fpm (25 0 C) to as low as 0.71 fpm (25 0 C), the charcoal bed temperature rose slowly and reached the ignition temperature in three of the experiments. At 0.71 fpm (25 0 C) the ignited charcoal beds reached maximum temperatures of 430 to 470 0 C because of the limited oxygen supply. The charcoal exposed for four years at Oak Ridge ignited at 283 0 C compared with 368 0 C for unused charcoal from the same batch. Two of the experiments used charcoal containing 1 or 2 percent TEDA (triethylene-diamine) and a proprietary flame retardant. The oxidation and ignition behavior of these charcoals did not appear to be affected adversely by the presence of the TEDA

  2. Methodology for iodine-129 determination in coniferous plant by neutron activation

    International Nuclear Information System (INIS)

    Quintana, E.E.; Thyssen, S.M.

    1998-01-01

    Full text: The measurement methods of iodine-129 ( 129 I) include liquid scintillation counting, mass spectrometry analysis, X-ray spectrometry and neutron activation analysis. The combination of long half-life and low radiation energy, limit the sensitivity of a direct measurement in environmental matrixes. The neutron activation analysis (NAA) permits the increase in the sensitivity because of the high thermal neutron cross section of 129 I. The reaction produced is 129 I (n,γ) 130 I and the Eγ (536 keV) of iodine-130 (t 1/2 = 12,6 hours) is measured. The developed methodology allows the determination of 129 I in coniferous needles using NAA. The chemical treatment removes the interferences present in the matrix, as well as the Bromine-82 originated in the activation process. The analytical method is divided in six steps: a) digestion by alkaline fusion; b) radiochemical purification of 129 I by distillation followed by solvent extraction; c) distillation and adsorption on activated charcoal; d) neutron irradiation; e) radiochemical purification of 130 I by distillation followed by solvent extraction; f) gamma spectrometry. Iodine-131 tracer is added, and a chemical recovery of 95% in the distillations is obtained. The whole process recovery is within 70% and 85%. The detection limit is 0.48 mBq. Several factors affect this value, such as sample type, variety of coniferous, natural iodine concentration, irradiation time and neutron flux. (author) [es

  3. [Assessment of dietary iodine intake of population in non-high-iodine areas in China].

    Science.gov (United States)

    Song, Xiaoyu; Li, Fengqin; Liu, Zhaoping; He, Yuna; Sui, Haixia; Mao, Weifeng; Liu, Sana; Yan, Weixing; Li, Ning; Chen, Junshi

    2011-03-01

    To assess the potential risk of dietary iodine insufficiency of population in non-high-iodine areas (water iodine China. The dietary iodine intake of 13 age-sex population groups were estimated by combining the data of iodine intake from food, table salt and drinking water. Two conditions were considered: consuming iodized salt or non-iodized salt. The data of food and table salt consumption were derived from the Chinese National Nutrition and Health Survey in 2002. Water consumption was calculated as the recommended water intake. Iodine contents of food, table salt and water were calculated from China Food Composition Table and iodine surveillance data. Under the condition of consuming iodized salt, the average iodine intake of all population groups was higher than the Recommended Nutrient Intake (RNI), while the iodine intakes of individuals above Upper Limits (UL) and below RNI were 5.8% and 13.4% respectively, and the iodine intake of individuals lower than the Estimated Average Requirement (EAR) was 9.4% in adults above 18 years of age (including pregnant and lactating women). If non-iodized salt was consumed, the average iodine intake of most sex-age population groups was higher than RNI, but the iodine intake of 97.6% of individuals would be lower than RNI, while the iodine intake of 97.4% of adults would be lower than EAR. The contribution of iodine from table salt was much higher than that from drinking water and food in the condition of consuming iodized salt, while food was the predominant contributor of dietary iodine in the condition of consuming non-iodized salt. The health risk of iodine deficiency was higher than that of iodine excess in areas where water iodine was China, and the risk of iodine insufficiency was much higher if non-iodized salt was consumed. Iodized salt should be the main sources of dietary iodine intake for population in areas where water iodine was China.

  4. The iodine reactivity

    International Nuclear Information System (INIS)

    2003-01-01

    The iodine is an important element because it has long life isotopes (such as iodine 129) and a great mobility in natural media. Iodine presents a complex chemistry because of its volatility and its strong redox reactivity. The S.E.C.R. works to better understand the reactivity of this element in different natural, industrial or biological environments. It plays a part in thermochemical sites as a possible way of hydrogen formation. This seminar gives some aspects relative to the chemical reactivity of iodine, since its thermochemistry in the I/S cycles to produce hydrogen to its reactivity in the natural medium and its potential radiological impact. This document includes 4 presentations transparencies) dealing with: the 129 I cycle rejected in the low radioactive gaseous and liquid effluents of the La Hague reprocessing plant (C. Frechou); a bibliographic review of iodine retention in soils (F. Bazer-Bachi); the hydrogen production and the iodine/sulfur thermochemical cycle (role of iodine in the process); and the direct characterization by electro-spray ionization mass spectroscopy of iodine fixation by fulvic acids (P. Reiller, B. Amekraz, C. Moulin, V. Moulin)

  5. CO dissociation on magnetic Fen clusters

    KAUST Repository

    Jedidi, Abdesslem

    2014-01-01

    This work theoretically investigates the CO dissociation on Fen nanoparticles, for n in the range of 1-65, focusing on size dependence in the context of the initial step of the Fischer-Tropsch reaction. CO adsorbs molecularly through its C-end on a triangular facet of the nanoparticle. Dissociation becomes easier when the cluster size increases. Then, the C atom is bonded to a square facet that is generated as a result of the adsorption if it does not yet exist in the bare cluster, while the O atom is adsorbed on a triangular facet. In the most stable situation, the two adsorbed atoms remain close together, both having in common one shared first-neighbor iron atom. There is a partial spin quenching of the neighboring Fe atoms, which become more positively charged than the other Fe atoms. The shared surface iron atom resembles a metal-cation from a complex. Despite the small size of the iron cluster considered, fluctuations due to specific configurations do not influence properties for n > 25 and global trends seem significant.

  6. NH3 adsorption on anatase-TiO2(101)

    Science.gov (United States)

    Koust, Stig; Adamsen, Kræn C.; Kolsbjerg, Esben Leonhard; Li, Zheshen; Hammer, Bjørk; Wendt, Stefan; Lauritsen, Jeppe V.

    2018-03-01

    The adsorption of ammonia on anatase TiO2 is of fundamental importance for several catalytic applications of TiO2 and for probing acid-base interactions. Utilizing high-resolution scanning tunneling microscopy (STM), synchrotron X-ray photoelectron spectroscopy, temperature-programmed desorption (TPD), and density functional theory (DFT), we identify the adsorption mode and quantify the adsorption strength on the anatase TiO2(101) surface. It was found that ammonia adsorbs non-dissociatively as NH3 on regular five-fold coordinated titanium surface sites (5f-Ti) with an estimated exothermic adsorption energy of 1.2 eV for an isolated ammonia molecule. For higher adsorbate coverages, the adsorption energy progressively shifts to smaller values, due to repulsive intermolecular interactions. The repulsive adsorbate-adsorbate interactions are quantified using DFT and autocorrelation analysis of STM images, which both showed a repulsive energy of ˜50 meV for nearest neighbor sites and a lowering in binding energy for an ammonia molecule in a full monolayer of 0.28 eV, which is in agreement with TPD spectra.

  7. Study of iodine-iodate isotopic exchange reaction in neutral aqueous solutions by radiotracer technique

    International Nuclear Information System (INIS)

    Tripathi, R.; Ram, K.D.

    1993-01-01

    The isotopic exchange of iodine atoms in neutral aqueous solutions of iodate ions and iodine (in KI) is found to obey the rate law R = k [IO 3 - ] 0.4 [I 2 ] 1.2 at 175 o C. The addition of neutral ionic salts, e.g. KCl and KNO 3 , in the reaction mixture showed a slight catalytic effect on the exchange rate. Further, the kinetic salt effect indicated the involvement of at least one neutral species on the rate-determining step. The activation energy in neutral aqueous solutions of iodate ions and iodine is found to be 86 ± 3 kJ mol -1 , which decreases in the presence of KCl (79 ± 3 kJ mol -1 and KNO 3 (82 + 3 kJ mol -1 ). The activation parameters, viz. free energy of activation, enthalpy of activation and entropy of activation, were also calculated. Based on these results, an association-dissociation type of reaction mechanism is proposed for this exchange reaction in neutral aqueous medium, similar to that proposed earlier for iodide-iodate isotopic exchange reaction in neutral aqueous solutions, nitrate eutectic melts and iodide-iodate melts. (author)

  8. Iodine intake in Denmark

    International Nuclear Information System (INIS)

    Pedersen, K.M.; Noehr, S.B.; Laurberg, P.

    1997-01-01

    Iodine deficiency with a high frequency of goitre and, in severely affected areas, cretinism is common in some areas of the world. In Denmark the iodine intake as evaluated by urinary iodine excretion has been at a stable low level for many years, except for the part of the population now taking iodine supplementation as part of vitamin/mineral preparations. The iodine intake is lowest in the western part to the country where an epidemiological study of elderly subjects has demonstrated a high frequency of goitre and hyperthyroidism in women. This supports the suggestion of a controlled moderate increase in iodine intake via an iodine supplementation program. (au) 40 refs

  9. Iodinated bleomycin

    International Nuclear Information System (INIS)

    Lunghi, F.; Riva, P.; Assone, F.; Villa, M.; Plassic, G.

    1978-01-01

    Bleomycin was labelled with iodine-131 by the iodine monochloride method. Iodination did not alter the chemical and chromatographic features and ''in vitro'' stability studies on freeze-dried 131 I-Bleomycin having a specific activity of 1 mCi/mg, stored at different temperatures, showed no appreciable variation of the free-iodine content. Tissue distribution of 131 I-Bleomycin has been evaluated in tumor bearing rats. Patients have been injected with 0.5-1.0 mCi of 131 I-Bleomycin corresponding to a maximum of 1.5 mg. No adverse reactions have been observed. Total body scans have been performed at 2, 6, 24 and 48 hours after injection. The iodinated Bleomycin was rapidly distributed and cleared from the body and showed an early uptake in the neoplastic tissue. A diagnostic accuracy of 90% has been observed in malignant deseases, while no false positive results have been, at the moment, recorded. (author)

  10. Urinary Iodine Concentrations Indicate Iodine Deficiency in Pregnant Thai Women but Iodine Sufficiency in Their School-Aged Children

    NARCIS (Netherlands)

    Gowachirapant, S.; Winichagoon, P.; Wyss, L.; Tong, B.; Baumgartner, J.; Boonstra, A.; Zimmermann, M.B.

    2009-01-01

    The median urinary iodine concentration (UI) in school-aged children is recommended for assessment of iodine nutrition in populations. If the median UI is adequate in school-aged children, it is usually assumed iodine intakes are also adequate in the remaining population, including pregnant women.

  11. Adsorption of small NaCl clusters on surfaces of silicon nanostructures

    International Nuclear Information System (INIS)

    Amsler, Maximilian; Alireza Ghasemi, S; Goedecker, Stefan; Neelov, Alexey; Genovese, Luigi

    2009-01-01

    We have studied possible adsorption geometries of neutral NaCl clusters on the disordered surface of a large silicon model tip used in non-contact atomic force microscopy. The minima hopping method was used to determine low energy model tip configurations as well as ground state geometries of isolated NaCl clusters. The combined system was treated with density functional theory. Alkali halides have proven to be strong structure seekers and tend to form highly stable ground state configurations whenever possible. The favored adsorption geometry for four Na and four Cl atoms was found to be an adsorption of four NaCl dimers due to the formation of Cl-Si bonds. However, for larger NaCl clusters, the increasing energy required to dissociate the cluster into NaCl dimers suggests that adsorption of whole clusters in their isolated ground state configuration is preferred.

  12. Surface species formed by the adsorption and dissociation of water molecules on Ru(0001) surface containing a small coverage of carbon atoms studied by scanning tunneling microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Dept of Materials Science and Engineering UCB; Dept of Applied Science and Technology, UCB; Institut de Ciencia de Materials de Barcelona, Barcelona, Spain; Instituto de Ciencia de Materiales de Madrid, Madrid, Spain; Department of Mechanical Engineering, Yale University; Salmeron, Miquel; Shimizu, Tomoko K.; Mugarza, Aitor; Cerda, Jorge I.; Heyde, Markus; Qi, Yabing; Schwarz, Udo D.; Ogletree, D. Frank; Salmeron, Miquel

    2008-04-26

    The adsorption and dissociation of water on a Ru(0001) surface containing a small amount ({le} 3 %) of carbon impurities was studied by scanning tunneling microscopy (STM). Various surface species are formed depending on the temperature. These include molecular H{sub 2}O, H{sub 2}O-C complexes, H, O, OH and CH. Clusters of either pure H{sub 2}O or mixed H{sub 2}O-OH species are also formed. Each of these species produces a characteristic contrast in the STM images and can be identified by experiment and by ab initio total energy calculations coupled with STM image simulations. Manipulation of individual species via excitation of vibrational modes with the tunneling electrons has been used as supporting evidence.

  13. Iodine generator for reclaimed water purification

    Science.gov (United States)

    Wynveen, R. A.; Powell, J. D.; Schubert, F. H. (Inventor)

    1977-01-01

    The system disclosed is for controlling the iodine level in a water supply in a spacecraft. It includes an iodine accumulator which stores crystalline iodine, an electrochemical valve to control the input of iodine to the drinking water and an iodine dispenser. A pump dispenses fluid through the iodine dispenser and an iodine sensor to a potable water tank storage. The iodine sensor electronically detects the iodine level in the water, and through electronic means, produces a correction current control. The correction current control operates the electro-chemical iodine valve to release iodine from the iodine accumulator into the iodine dispenser.

  14. Abstraction of iodine from aromatic iodides by alkyl radicals: steric and electronic effects.

    Science.gov (United States)

    Dolenc, Darko; Plesnicar, Bozo

    2006-10-13

    Abstraction of the iodine atom from aryl iodides by alkyl radicals takes place in some cases very efficiently despite the unfavorable difference in bond dissociation energies of C-I bonds in alkyl and aryl iodides. The abstraction is most efficient in iodobenzenes, ortho-substituted with bulky groups. The ease of abstraction can be explained by the release of steric strain during the elimination of the iodine atom. The rate of abstraction correlates fairly well with the strain energy, calculated by density functional theory (DFT) and Hartree-Fock (HF) methods as a difference in the total energy of ortho and para isomers. However, besides the steric bulk, the presence of some other functional groups in an ortho substituent also influences the rate. The stabilization of the transition state, resembling a 9-I-2 iodanyl radical, by electron-withdrawing groups seems to explain a positive sign of the Hammett rho value in the radical abstraction of halogen atoms.

  15. Controlling Chemical Reactions in Confined Environments: Water Dissociation in MOF-74

    Directory of Open Access Journals (Sweden)

    Erika M. A. Fuentes-Fernandez

    2018-02-01

    Full Text Available The confined porous environment of metal organic frameworks (MOFs is an attractive system for studying reaction mechanisms. Compared to flat oxide surfaces, MOFs have the key advantage that they exhibit a well-defined structure and present significantly fewer challenges in experimental characterization. As an example of an important reaction, we study here the dissociation of water—which plays a critical role in biology, chemistry, and materials science—in MOFs and show how the knowledge of the structure in this confined environment allows for an unprecedented level of understanding and control. In particular, combining in-situ infrared spectroscopy and first-principles calculations, we show that the water dissociation reaction can be selectively controlled inside Zn-MOF-74 by alcohol, through both chemical and physical interactions. Methanol is observed to speed up water dissociation by 25% to 100%, depending on the alcohol partial pressure. On the other hand, co-adsorption of isopropanol reduces the speed of the water reaction, due mostly to steric interactions. In addition, we also investigate the stability of the product state after the water dissociation has occurred and find that the presence of additional water significantly stabilizes the dissociated state. Our results show that precise control of reactions within nano-porous materials is possible, opening the way for advances in fields ranging from catalysis to electrochemistry and sensors.

  16. Iodination and stability of somatostatin analogues: comparison of iodination techniques. A practical overview.

    Science.gov (United States)

    de Blois, Erik; Chan, Ho Sze; Breeman, Wouter A P

    2012-01-01

    For iodination ((125/127)I) of tyrosine-containing peptides, chloramin-T, Pre-Coated Iodo-Gen(®) tubes and Iodo-Beads(®) (Pierce) are commonly used for in vitro radioligand investigations and there have been reliant vendors hereof for decades. However, commercial availability of these radio-iodinated peptides is decreasing. For continuation of our research in this field we investigated and optimized (radio-)iodination of somatostatin analogues. In literature, radioiodination using here described somatostatin analogues and iodination techniques are described separately. Here we present an overview, including High Performance Liquid Chromatography (HPLC) separation and characterisation by mass spectrometry, to obtain mono- and di-iodinated analogues. Reaction kinetics of (125/127)I iodinated somatostatin analogues were investigated as function of reaction time and concentration of reactants, including somatostatin analogues, iodine and oxidizing agent. To our knowledge, for the here described somatostatin analogues, no (127)I iodination and optimization are described. (Radio-)iodinated somatostatin analogues could be preserved with a >90% radiochemical purity for 1 month after reversed phase HPLC-purification.

  17. Chemical species of iodine in some seaweeds. Pt. 2. Iodine-bound biological macromolecules

    International Nuclear Information System (INIS)

    Xiaolin Hou; Chifang Chai; Xiaojun Yan

    2000-01-01

    The distribution of iodine in various biological macromolecules in Sargassum kjellmanianum was studied using neutron activation analysis combined with chemical and biochemical separation techniques. The results indicate that iodine is mainly bound with protein, part of iodine with pigment and polyphenol, and little with polysaccharides, such as algin, fucoidan and cellulose. This result is significant for the mechanism of enriching iodine of algae and utilization of alga iodine. (author)

  18. Modeling an Iodine Hall Thruster Plume in the Iodine Satellite (ISAT)

    Science.gov (United States)

    Choi, Maria

    2016-01-01

    An iodine-operated 200-W Hall thruster plume has been simulated using a hybrid-PIC model to predict the spacecraft surface-plume interaction for spacecraft integration purposes. For validation of the model, the plasma potential, electron temperature, ion current flux, and ion number density of xenon propellant were compared with available measurement data at the nominal operating condition. To simulate iodine plasma, various collision cross sections were found and used in the model. While time-varying atomic iodine species (i.e., I, I+, I2+) information is provided by HPHall simulation at the discharge channel exit, the molecular iodine species (i.e., I2, I2+) are introduced as Maxwellian particles at the channel exit. Simulation results show that xenon and iodine plasma plumes appear to be very similar under the assumptions of the model. Assuming a sticking coefficient of unity, iodine deposition rate is estimated.

  19. Studies on the Mechanisms of Methyl Iodide Adsorption and Iodine Retention on Silver-Mordenite

    Energy Technology Data Exchange (ETDEWEB)

    Nenoff, Tina Maria [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Soelberg, Nick [Idaho National Lab. (INL), Idaho Falls, ID (United States)

    2014-09-01

    Silver-containing mordenite (MOR) is a longstanding benchmark for radioiodine capture, reacting with molecular iodine (I2) to form AgI. However the mechanisms for organoiodine capture are not well understood. Here we investigate the capture of methyl iodide from complex mixed gas streams by combining chemical analysis of the effluent gas stream with in depth characterization of the recovered sorbent.

  20. Separation of iodine-131 from water using isotopic exchange with iodine-starch compound

    International Nuclear Information System (INIS)

    Ignatov, V.P.; Kolomejtseva, I.V.

    1990-01-01

    Conditions of iodine isotopic exchange with iodine-starch compound (ISC) were studied with the aim of compound utilizatoin for radioactive iodine separation from solution. It is shown that in pH range from 2 to 7 the degree of iodine extraction and coefficient of its distribution practically do not depend on pH, at pH>7 ISC destruction (decolorizing) starts and iodine extraction decreases. Rapid method of iodine separation from solution is suggested. The method can be used in radiochemical techniques. The degree of extraction equals 80 %, a higher degree of extraction can not be achieved owing to ISC formation peculiarities

  1. Sulfur poisoning of a Ni(111) crystal with small angle boundaries (SAB) and its effect on CO adsorption

    Energy Technology Data Exchange (ETDEWEB)

    Sargent, G A; Lih-Ren Chao, J; Freeman, G B

    1981-01-01

    The sulfur poisoning of a Ni(111) crystal with small angle boundaries (SAB) and its effect on CO adsorption were studied using the techniques of low energy electron diffraction (LEED) and Auger electron spectroscopy (AES). The sulfur poisoned Ni(111)-SAB surface was prepared by heating the crystal to 850/sup 0/C for 20 min. The bulk sulfur impurity was diffused to the surface. The sulfur Auger peak intensities taken at and between boundary lines, show that sulfur distribution is uniform on the Ni(111)-SAB surface. No LEED pattern due to sulfur presence was observed. Sulfur atoms do not form an ordered structure in the Ni(111)-SAB surface. The Auger spectra showed that the boundary lines at the sulfur-free crystal surface provide favorable sites for the adsorbed CO to dissociate at temperatures as low as 25/sup 0/C. After sulfur is diffused to the surface, it blocks the active sites as well as the boundary sites. The boundary line enhanced dissociation of CO is no longer seen. Sulfur and nickel Auger intensities were taken during the CO adsorption. From the change of the intensities, sulfur only interacts with nickel and physically inhibits the CO adsorption and, thereby, further CO dissociation.

  2. Iodine budget in surface waters from Atacama: Natural and anthropogenic iodine sources revealed by halogen geochemistry and iodine-129 isotopes

    International Nuclear Information System (INIS)

    Álvarez, Fernanda; Reich, Martin; Snyder, Glen; Pérez-Fodich, Alida; Muramatsu, Yasuyuki; Daniele, Linda; Fehn, Udo

    2016-01-01

    Iodine enrichment in the Atacama Desert of northern Chile is widespread and varies significantly between reservoirs, including nitrate-rich “caliche” soils, supergene Cu deposits and marine sedimentary rocks. Recent studies have suggested that groundwater has played a key role in the remobilization, transport and deposition of iodine in Atacama over scales of millions-of-years. However, and considering that natural waters are also anomalously enriched in iodine in the region, the relative source contributions of iodine in the waters and its extent of mixing remain unconstrained. In this study we provide new halogen data and isotopic ratios of iodine ("1"2"9I/I) in shallow seawater, rivers, salt lakes, cold and thermal spring water, rainwater and groundwater that help to constrain the relative influence of meteoric, marine and crustal sources in the Atacama waters. Iodine concentrations in surface and ground waters range between 0.35 μM and 26 μM in the Tarapacá region and between 0.25 μM and 48 μM in the Antofagasta region, and show strong enrichment when compared with seawater concentrations (I = ∼0.4 μM). In contrast, no bromine enrichment is detected (1.3–45.7 μM for Tarapacá and 1.7–87.4 μM for Antofagasta) relative to seawater (Br = ∼600 μM). These data, coupled to the high I/Cl and low Br/Cl ratios are indicative of an organic-rich sedimentary source (related with an “initial” fluid) that interacted with meteoric water to produce a mixed fluid, and preclude an exclusively seawater origin for iodine in Atacama natural waters. Iodine isotopic ratios ("1"2"9I/I) are consistent with halogen chemistry and confirm that most of the iodine present in natural waters derives from a deep initial fluid source (i.e., groundwater which has interacted with Jurassic marine basement), with variable influence of at least one atmospheric or meteoric source. Samples with the lowest isotopic ratios ("1"2"9I/I from ∼215 to ∼1000 × 10"

  3. Iodine mineral waters

    Directory of Open Access Journals (Sweden)

    Iluta Alexandru

    2011-11-01

    Full Text Available Iodine mineral waters are found especially in sub-Carpathian region, also in regions with Salif deposits. Waters are currently used iodine in drinking cure for chaps and Basedow. Are also indicated in balneology. Iodine water containing at least 1 mg L, there is pure iodine is usually given the nature of other types of mineral waters further: sodium chlorinated water (Bazna (50-70 mg iodine / l, Baile Govora (50 - 70 mg / l, Bălţăteşti (4-5 mg / l, salted Monteoru (30 mg / l, mine water mixed alkaline chlorination, sulphate, which are indicated for crenoterapie (hypo or isotonic to the bathrooms Olăneşti or Călimăneşti-Căciulata.

  4. Iodine status in neonates in Denmark: regional variations and dependency on maternal iodine supplementation

    DEFF Research Database (Denmark)

    Nøhr, S B; Laurberg, P; Børlum, K G

    1994-01-01

    Iodine status of 147 neonates born in five different regions of Denmark was evaluated in relation to the iodine content of breast milk and iodine supplementation taken by the mother. Approximately two-thirds of the women had not received iodine supplementation. They had low iodine concentrations...... in breast milk and urinary iodine concentrations of the neonates at day 5 were low. The median values (milk/urine) were 33.6/31.7 micrograms/l (Randers 22/26, Ringkøbing 29/16, Aalborg 36/31. Arhus 54/41 and Copenhagen 55/59 micrograms/l). Higher values were found in the group where tablets containing...... iodine had been taken (milk/urine: 57.0/61.0 micrograms/l). In general, the values are low compared with internationally recommended levels. We suggest that mothers without autoimmune thyroid disease should receive iodine supplementation in the form of vitamin/mineral tablets containing iodine (150...

  5. First principles study of NH3 molecular adsorption on LiH (100) surfaces

    International Nuclear Information System (INIS)

    Lu Xiaoxia; Chen Yuhong; Dong Xiao

    2012-01-01

    The adsorption of NH 3 on LiH (100) crystal surfaces was studied by first principles method. The preferred adsorption sites, adsorption energy, dissociation energy and electronic structure of the LiH (100)/NH 3 systems were calculated separately. It is found that chemical adsorption happened mainly when NH 3 molecules are on the LiH (100) crystal surfaces. When NH 3 is adsorbed on the Li top site, NH 2 is formed on the LiH (100) crystal surfaces after loss of H atom, the calculated adsorption energy, 0.511 eV, belongs to strong chemical adsorption, then the interaction is strongest. The interaction between NH 2 and the neighboring Li, H are ionic. The covalent bonds are formed between N and H atoms in NH 2 . One H 2 molecule is formed by another H atom in NH 3 and H atom from LiH (100) crystal sur- faces. The covalent bonds are formed between H and H atoms in H 2 . (authors)

  6. Urinary Iodine Clearance following Iodinated Contrast Administration: A Comparison of Euthyroid and Postthyroidectomy Subjects

    Directory of Open Access Journals (Sweden)

    Janice D. Ho

    2014-01-01

    Full Text Available Purpose. To compare iodine clearance following iodinated contrast administration in thyroidectomised thyroid cancer patients and euthyroid individuals. Methods. A convenience population (6 thyroidectomised thyroid cancer patients and 7 euthyroid controls was drawn from patients referred for iodinated contrast-enhanced computed tomography (CT studies. Subjects had sequential urine samples collected up to 6 months (50 samples from the thyroidectomised and 63 samples from the euthyroid groups. t-tests and generalised estimating equations (GEE were used to test for group differences in urinary iodine creatinine ratios. Results. Groups had similar urinary iodine creatinine ratios at baseline, with a large increase 2 weeks following iodinated contrast (P=0.005. Both groups had a return of urinary iodine creatinine ratios to baseline by 4 weeks, with no significant group differences overall or at any time point. Conclusions. Thyroidectomised patients did not have a significantly different urinary iodine clearance than euthyroid individuals following administration of iodinated contrast. Both had a return of urinary iodine creatinine ratios to baseline within 4 weeks.

  7. [Study on the iodine nutrition and iodine deficiency disorders status in pasturing areas of Tibet-a non-epidemic area of iodine deficiency disorders in serious iodine deficiency district].

    Science.gov (United States)

    DU, Dan; Li, Su-Mei; Li, Xiu-Wei; Wang, Hai-Yan; Li, Shu-Hua; Nima, Cangjue; Danzeng, Sangbu; Zhuang, Guang-Xiu

    2010-08-01

    To explore the status of iodine nutrition and iodine deficiency disorders in the pasturing areas and agricultural regions in Tibet. 30 families were selected respectively in pastoral Dangxiong county and agricultural Qushui county of Lasa. Drinking water and edible salt were collected for testing the iodine contents. In each type of the following populations including children aged 8 - 10, women of child-bearing age and male adults, 50 subjects were randomly sampled to examine their urinary iodine contents. Among them, 50 children and 50 women were randomly selected for goiter examination by palpation. Water iodine content was less than 2 µg/L, both in pasturing area and in agricultural areas. There was no iodized salt used in the families of pasturing areas, while 90% people consumed iodized salt in agricultural areas. The median of urinary iodine in pasturing area was 50.2 µg/L, significantly lower than that of agricultural area (193.2 µg/L). However, the goiter rate of children and women in pasturing area was significantly lower than that in agricultural area. Although iodine intake of populations in pasturing area of Tibet was severely deficient, there was no epidemic of Iodine Deficiency Disorders. This phenomenon noticed by the researchers deserved further investigation.

  8. Iodine deficiency disorders

    Energy Technology Data Exchange (ETDEWEB)

    Ali, S M [Pakistan Council for Science and Technology, Islamabad (Pakistan)

    1994-12-31

    Iodine deficiency (IDD) is one of the common problem in the diet. Iodine deficiency as prevalence of goiter in population occurs in the mountainous areas. There is consensus that 800 million people are at risk of IDD from living in iodine deficient area and 190 million from goiter. Very high prevalence of IDD in different parts of the world are striking. It has generally observed that in iodine-deficient areas about 50% are affected with goiter, 1-5% from cretinsim and 20% from impaired mental and/or mortor function. (A.B.).

  9. Iodine deficiency and thyroid disorders.

    Science.gov (United States)

    Zimmermann, Michael B; Boelaert, Kristien

    2015-04-01

    Iodine deficiency early in life impairs cognition and growth, but iodine status is also a key determinant of thyroid disorders in adults. Severe iodine deficiency causes goitre and hypothyroidism because, despite an increase in thyroid activity to maximise iodine uptake and recycling in this setting, iodine concentrations are still too low to enable production of thyroid hormone. In mild-to-moderate iodine deficiency, increased thyroid activity can compensate for low iodine intake and maintain euthyroidism in most individuals, but at a price: chronic thyroid stimulation results in an increase in the prevalence of toxic nodular goitre and hyperthyroidism in populations. This high prevalence of nodular autonomy usually results in a further increase in the prevalence of hyperthyroidism if iodine intake is subsequently increased by salt iodisation. However, this increase is transient because iodine sufficiency normalises thyroid activity which, in the long term, reduces nodular autonomy. Increased iodine intake in an iodine-deficient population is associated with a small increase in the prevalence of subclinical hypothyroidism and thyroid autoimmunity; whether these increases are also transient is unclear. Variations in population iodine intake do not affect risk for Graves' disease or thyroid cancer, but correction of iodine deficiency might shift thyroid cancer subtypes toward less malignant forms. Thus, optimisation of population iodine intake is an important component of preventive health care to reduce the prevalence of thyroid disorders. Copyright © 2015 Elsevier Ltd. All rights reserved.

  10. Iodine Status in Pregnant & Breastfeeding Women

    DEFF Research Database (Denmark)

    Andersen, Stine Linding

    Iodine is required for the synthesis of thyroid hormones, which are crucial regulator of early brain development. The source of iodine in the fetus and the breastfed infant is maternal iodine, and adequate iodine intake in pregnant and breastfeeding is of major concern. Severe iodine deficiency can...... cause irreversible brain damage, whereas the consequences of mild to moderate iodine deficiency are less clear. Denmark was previously iodine deficient with regional differences (mild iodine deficiency in East Denmark and moderate iodine deficiency in West Denmark), and also pregnant and breastfeeding...... women suffered from iodine deficiency. A mandatory iodine fortification of household salt and salt used for commercial production of bread was introduced in Denmark in the year 2000. The PhD thesis investigates intake of iodine supplements and urinary iodine status in Danish pregnant and breastfeeding...

  11. Consuming iodine enriched eggs to solve the iodine deficiency endemic for remote areas in Thailand

    Directory of Open Access Journals (Sweden)

    Teeyapant Punthip

    2010-12-01

    Full Text Available Abstract Background Evidence showed that the occurrence of iodine deficiency endemic areas has been found in every provinces of Thailand. Thus, a new pilot programme for elimination of iodine deficiency endemic areas at the community level was designed in 2008 by integrating the concept of Sufficient Economic life style with the iodine biofortification of nutrients for community consumption. Methods A model of community hen egg farm was selected at an iodine deficiency endemic area in North Eastern part of Thailand. The process for the preparation of high content iodine enriched hen food was demonstrated to the farm owner with technical transfer in order to ensure the sustainability in the long term for the community. The iodine content of the produced iodine enriched hen eggs were determined and the iodine status of volunteers who consumed the iodine enriched hen eggs were monitored by using urine iodine excretion before and after the implement of iodine enrichment in the model farm. Results The content of iodine in eggs from the model farm were 93.57 μg per egg for the weight of 55 - 60 g egg and 97.76 μg for the weight of 60 - 65 g egg. The biological active iodo-organic compounds in eggs were tested by determination of the base-line urine iodine of the volunteer villagers before and after consuming a hard boiled iodine enriched egg per volunteer at breakfast for five days continuous period in 59 volunteers of Ban Kew village, and 65 volunteers of Ban Nong Nok Kean village. The median base-line urine iodine level of the volunteers in these two villages before consuming eggs were 7.00 and 7.04 μg/dL respectively. After consuming iodine enriched eggs, the median urine iodine were raised to the optimal level at 20.76 μg/dL for Ban Kew and 13.95 μg/dL for Ban Nong Nok Kean. Conclusions The strategic programme for iodine enrichment in the food chain with biological iodo-organic compound from animal origins can be an alternative method to

  12. Iodine in meat in Macedonia

    International Nuclear Information System (INIS)

    Bogdanov, Bogdan; Gonev, Mihajlo; Tadzher, Isak

    2000-01-01

    Iodine deficiency in Macedonia still persists in a mild form. In 1999 the iodination of salt rose to 20 m gr iodine in Kg salt. The consumption of salt diminished after the last war from 20-30 gr salt per day to 10-20 gr salt daily. This shows that the problem of the elimination of iodine deficiency is being vigorously tackled. Since 1956 the iodine in salt in Macedonia rose to 10 m gr KI/Kg salt. The content of iodine in the Macedonian diet seems to be important. The amount of iodine in milk, eggs and bread is low as found by the investigation of MANU. The content of iodine in meat is low, compared to British meat is 10 times lower. The average iodine content in Macedonian meat is 95.15 micro gr per Kg, whereas in British meat it is 850-1510 micro gr iodine per k gr meat. (Original)

  13. Silver oxide nanocrystals anchored on titanate nanotubes and nanofibers: promising candidates for entrapment of radioactive iodine anions.

    Science.gov (United States)

    Yang, Dongjiang; Liu, Hongwei; Liu, Long; Sarina, Sarina; Zheng, Zhanfeng; Zhu, Huaiyong

    2013-11-21

    Iodine radioisotopes are released into the environment by the nuclear industry and medical research institutions using radioactive materials. The (129)I(-) anion is one of the more mobile radioactive species due to a long half-life, and it is a great challenge to design long-term management solutions for such radioactive waste. In this study, a new adsorbent structure with the potential to efficiently remove radioactive iodine anions (I(-)) from water is devised: silver oxide (Ag2O) nanocrystals firmly anchored on the surface of titanate nanotubes and nanofibers via coherent interfaces between Ag2O and titanate phases. I(-) anions in fluids can easily access the Ag2O nanocrystals and be efficiently trapped by forming AgI precipitate that firmly attaches to the adsorbent. Due to their one-dimensional morphology, the new adsorbents can be readily dispersed in liquids and easily separated after purification; and the adsorption beds loaded with the adsorbents can permit high flux. This significantly enhances the adsorption efficiency and reduces the separation costs. The proposed structure reveals a new direction in developing efficient adsorbents for the removal of radioactive anions from wastewater.

  14. Effects of an electron beam on adsorption and desorption of ammonia on ruthenium (0001)

    International Nuclear Information System (INIS)

    Danielson, L.R.; Dresser, M.J.; Donaldson, E.E.; Sandstrom, D.R.

    1978-01-01

    The effects of an electron beam on ammonia adsorption and desorption on Ru(0001) have been investigated by Auger electron spectroscopy, low-energy electron diffraction, and thermal flash desorption. Appreciable adsorption at room temperature occurred only on the area of the Ru crystal which had been bombarded by an electron beam during dosing. The adsorption rate was a function of beam current density and ammonia pressure, and an apparent (2x2) diffraction pattern appeared in the area bombarded by the electron beam. Electron bombardment of the molecular γ states of ammonia followed by flash desorption showed that less ammonia and more hydrogen and nitrogen were desorbed as the bombardment time increased. An analysis of this process based on electron-induced dissociation of the ammonia molecule yielded an effective initial dissociation cross section of 3x10 -6 cm 2 . Hydrogen flash desorption spectra after bombardment of the γ states obeying first order kinetics with desorption energies of 0.78 and 1.0 eV. Electron bombardment of the γ states for short times produced the same effects on the ammonia flash desorption spectra as preadsorption of hydrogen. (Auth.)

  15. Adsorption of amino acids by fullerenes and fullerene nanowhiskers

    International Nuclear Information System (INIS)

    Hashizume, Hideo; Hirata, Chika; Fujii, Kazuko; Miyazawa, Kun’ichi

    2015-01-01

    We have investigated the adsorption of some amino acids and an oligopeptide by fullerene (C 60 ) and fullerene nanowhiskers (FNWs). C 60 and FNWs hardly adsorbed amino acids. Most of the amino acids used have a hydrophobic side chain. Ala and Val, with an alkyl chain, were not adsorbed by the C 60 or FNWs. Trp, Phe and Pro, with a cyclic structure, were not adsorbed by them either. The aromatic group of C 60 did not interact with the side chain. The carboxyl or amino group, with the frame structure of an amino acid, has a positive or negative charge in solution. It is likely that the C 60 and FNWs would not prefer the charged carboxyl or amino group. Tri-Ala was adsorbed slightly by the C 60 and FNWs. The carboxyl or amino group is not close to the center of the methyl group of Tri-Ala. One of the methyl groups in Tri-Ala would interact with the aromatic structure of the C 60 and FNWs. We compared our results with the theoretical interaction of 20 bio-amino acids with C 60 . The theoretical simulations showed the bonding distance between C 60 and an amino acid and the dissociation energy. The dissociation energy was shown to increase in the order, Val < Phe < Pro < Asp < Ala < Trp < Tyr < Arg < Leu. However, the simulation was not consistent with our experimental results. The adsorption of albumin (a protein) by C 60 showed the effect on the side chains of Try and Trp. The structure of albumin was changed a little by C 60 . In our study Try and Tyr were hardly adsorbed by C 60 and FNWs. These amino acids did not show a different adsorption behavior compared with other amino acids. The adsorptive behavior of mono-amino acids might be different from that of polypeptides. (paper)

  16. Iodine Hall Thruster

    Science.gov (United States)

    Szabo, James

    2015-01-01

    Iodine enables dramatic mass and cost savings for lunar and Mars cargo missions, including Earth escape and near-Earth space maneuvers. The demonstrated throttling ability of iodine is important for a singular thruster that might be called upon to propel a spacecraft from Earth to Mars or Venus. The ability to throttle efficiently is even more important for missions beyond Mars. In the Phase I project, Busek Company, Inc., tested an existing Hall thruster, the BHT-8000, on iodine propellant. The thruster was fed by a high-flow iodine feed system and supported by an existing Busek hollow cathode flowing xenon gas. The Phase I propellant feed system was evolved from a previously demonstrated laboratory feed system. Throttling of the thruster between 2 and 11 kW at 200 to 600 V was demonstrated. Testing showed that the efficiency of iodine fueled BHT-8000 is the same as with xenon, with iodine delivering a slightly higher thrust-to-power (T/P) ratio. In Phase II, a complete iodine-fueled system was developed, including the thruster, hollow cathode, and iodine propellant feed system. The nominal power of the Phase II system is 8 kW; however, it can be deeply throttled as well as clustered to much higher power levels. The technology also can be scaled to greater than 100 kW per thruster to support megawatt-class missions. The target thruster efficiency for the full-scale system is 65 percent at high specific impulse (Isp) (approximately 3,000 s) and 60 percent at high thrust (Isp approximately 2,000 s).

  17. Study on solubility and leaching property of Iodine-129 waste-forms for geological disposal. Document prepared by other institute, based on the trust contract

    Energy Technology Data Exchange (ETDEWEB)

    Sakashita, A.; Izumi, J. [Mitsubishi Heavy Industries, Ltd., Tokyo (Japan); Kitao, H. [Nuclear Development Corp., Tokai, Ibaraki (Japan); Ueta, S.; Okada, K.; Nakazawa, T.; Muroi, M. [Mitsubishi Materials Corp., Tokyo (Japan)

    2002-02-01

    As concern the study on the property of Iodine-129 waste-forms, the solubilities and leachabilities of iodine-sodalite and leachabilities of apatite containing Iodine were measured last year. The results in this year are summarized as follows. 1. Solubility and Leachability of Iodine-sodalite. Leachabilities and solubilities of the synthesized iodine-sodalite by HIP method were measured by means of a long-term leach test in the solution with chloride ions and high pH (12.5). The measured solubilities were within a range of 10{sup -3} - 10{sup -2} mol/L, which were larger compare with the previous values. The leachabilities were 10{sup -6} g/cm{sup 2}/day (powder) and 10{sup -3} g/cm{sup 2}/day (block). After the leach test, the solid phases were analyzed and the alternation was not observed. 2. Leaching Property of Apatite Sample which contains Iodine adsorption medicine. Apatite sample was manufactured from apatite and zeorait which adsorbs iodine matrix by plasma-hotpress. The porosity of the samples was under 5% and release rate of iodine was about 10% at plasma-hotpress manufacturing. The leachabilities of iodine were 10{sup -4} - 10{sup -3} g/cm{sup 2}/d at 56 day soaking period. These values were 1 - 2 digits higher compare with the leachabilities of calcium. It is thought that the iodine selectively is leached from apatite sample. (author)

  18. Dissociation and psychosis in dissociative identity disorder and schizophrenia.

    Science.gov (United States)

    Laddis, Andreas; Dell, Paul F

    2012-01-01

    Dissociative symptoms, first-rank symptoms of schizophrenia, and delusions were assessed in 40 schizophrenia patients and 40 dissociative identity disorder (DID) patients with the Multidimensional Inventory of Dissociation (MID). Schizophrenia patients were diagnosed with the Structured Clinical Interview for the DSM-IV Axis I Disorders; DID patients were diagnosed with the Structured Clinical Interview for DSM-IV Dissociative Disorders-Revised. DID patients obtained significantly (a) higher dissociation scores; (b) higher passive-influence scores (first-rank symptoms); and (c) higher scores on scales that measure child voices, angry voices, persecutory voices, voices arguing, and voices commenting. Schizophrenia patients obtained significantly higher delusion scores than did DID patients. What is odd is that the dissociation scores of schizophrenia patients were unrelated to their reports of childhood maltreatment. Multiple regression analyses indicated that 81% of the variance in DID patients' dissociation scores was predicted by the MID's Ego-Alien Experiences Scale, whereas 92% of the variance in schizophrenia patients' dissociation scores was predicted by the MID's Voices Scale. We propose that schizophrenia patients' responses to the MID do not index the same pathology as do the responses of DID patients. We argue that neither phenomenological definitions of dissociation nor the current generation of dissociation instruments (which are uniformly phenomenological in nature) can distinguish between the dissociative phenomena of DID and what we suspect are just the dissociation-like phenomena of schizophrenia.

  19. Marine geochemistry of iodine

    International Nuclear Information System (INIS)

    Kennedy, H.; Elderfield, H.

    1985-01-01

    Iodine has long been classified as a biophilic element with analyses showing that iodine is strongly enriched, relative to seawater concentrations in both plankton and particulate matter and that the concentration of iodine found in surface sediments is still further enriched relative to that found in the sedimenting particulate matter. The extent of enrichment of iodine relative to carbon in deep sea surface sediments has been shown to depend on the carbon accumulation rate. Iodine decomposition rates have been calculated and are shown to vary with the sedimentation rate in the same manner as has been shown for organic carbon. Vertical profiles of total dissolved iodine, iodate and iodide in interstitial waters of sediments from the north east Atlantic are characterised by three zones of reaction as identified by changes in the concentration of iodate and iodide. These reaction zones represent (i) iodide production (ii) iodide oxidation and (iii) iodate reduction. Pore water and solid phase iodine profiles from cores containing turbidite units have shown that iodine, released to pore waters as iodide during the oxidation of the organic matter, has been scavenged after diffusing upwards into a less reducing region of the sediment. (author)

  20. Analysis of iodine content in seaweed by GC-ECD and estimation of iodine intake

    Directory of Open Access Journals (Sweden)

    Tai Sheng Yeh

    2014-06-01

    Full Text Available Edible seaweed products have been consumed in many Asian countries. Edible seaweeds accumulate iodine from seawater, and are therefore a good dietary source of iodine. An adequate consumption of seaweed can eliminate iodine deficiency disorders, but excessive iodine intake is not good for health. The recommended dietary reference intake of 0.15 mg/d and 0.14 mg/d for iodine has been established in the United States and Taiwan, respectively. In this study, 30 samples of seaweed were surveyed for iodine content. The samples included 10 nori (Porphyra, 10 wakame (Undaria, and 10 kombu (Laminaria products. The iodine in seaweed was derivatized with 3-pentanone and detected by gas chromatography-electron capture detector (GC-ECD. The method detection limit was 0.5 mg/kg. The iodine content surveyed for nori was 29.3–45.8 mg/kg, for wakame 93.9–185.1 mg/kg, and for kombu 241–4921 mg/kg. Kombu has the highest average iodine content 2523.5 mg/kg, followed by wakame (139.7 mg/kg and nori (36.9 mg/kg. The GC-ECD method developed in this study is a low-cost alternative to inductively coupled plasma-optical emission spectroscopy for iodine detection in seaweeds. The iodine intake from seaweed in the current survey was calculated and compared with the iodine dietary reference intake of Taiwan. The risk and benefit of seaweed consumption is also discussed.

  1. Breast-Milk Iodine Concentrations and Iodine Levels of Infants According to the Iodine Status of the Country of Residence: A Systematic Review and Meta-Analysis.

    Science.gov (United States)

    Nazeri, Pantea; Kabir, Ali; Dalili, Hosein; Mirmiran, Parvin; Azizi, Fereidoun

    2018-01-01

    Iodine, an essential micronutrient, plays a critical role in normal growth and development, especially during the first two years of life. This systematic review and meta-analysis is among the first to evaluate breast-milk iodine concentrations and infant iodine status in countries characterized by iodine sufficiency or deficiency. PubMed, Web of Science, Cochrane Library, Google Scholar, and other relevant databases, as well as reference lists of previous reviews, were searched for relevant studies published between 1986 and 2016. Mean or median breast-milk and infant urinary iodine concentrations, along with other relevant data, were extracted from eligible studies. Each study was assessed for quality and risk of bias. Of the 496 identified studies, 57 met the criteria for inclusion in the meta-analysis. The mean (confidence interval [CI]) iodine concentrations in maternal colostrum were 152.0 μg/L [CI 106.2-198.7 μg/L] and 57.8 μg/L [CI 41.4-74.1 μg/L] in iodine-sufficient and -deficient countries, respectively, indicating a significant difference between the two iodine statuses. By contrast, the corresponding values in mature milk did not differ significantly between mothers in iodine-sufficient and -deficient countries (71.5 μg/L [CI 51.0-92.0 μg/L] and 28.0 μg/L [CI -13.8 to 69.9 μg/L], respectively]. The weighted urinary iodine levels [CIs] of breast-fed infants in iodine-sufficient countries were significantly higher than those in iodine-deficient countries (164.5 μg/L [CI 116.4-212.7 μg/L] vs. 70.4 μg/L [CI 46.2-94.6 μg/L]). Similarly, a significant difference was observed in the pooled estimates of urinary iodine levels [CIs] among formula-fed infants in iodine-sufficient versus iodine-deficient countries (310.3 μg/L [CI 287.4-342.1 μg/L] vs. 38.3 μg/L [CI 23.4-53.2 μg/L]). The meta-analysis reveals that in iodine-sufficient countries, the mean iodine concentrations in colostrum and mature breast milk

  2. Radioactive iodine intake through foodstuff

    International Nuclear Information System (INIS)

    Omomo, Yoichiro

    1974-01-01

    The transition of radioactive iodine to human bodies is affected by the amount of coexisting stable iodine. The intake of stable iodine through foodstuffs was studied from the stand point of I) discussion of the literature which states the approximate amounts of stable iodine contained in environmental materials, and II) the authors' research on the consumption of foodstuffs. For example, the amounts of iodine intake of fishermen living in Kuji-cho (Ibaragi Prefecture) was estimated from I and II, and was revealed as 2704p. The national average iodine intake was about 800p indicating that the former estimated value was remarkably high. Eighty Four per cent of the 2.7 mg iodine intake was taken from marine products, indicating that marine products are important sources of iodine supply. (Tsukamoto, Y.)

  3. Method for removing radioactive iodine and radioactive organic iodides from effluent gases

    International Nuclear Information System (INIS)

    1975-01-01

    A method and composition for removing radioactive and organic iodides from an 131 I-containing off-gas stream is provided. The composition for removal by adsorption is a ceramic material with a surface area of from about 5 m 2 /g to about 250 m 2 /g impregnated with a metallic salt. The method for removing the iodine or iodide is accomplished by passing the off-gas stream over the ceramic material impregnated with the metallic salt. It finds special application in air filters for nuclear power plants

  4. FDA regulations regarding iodine addition to foods and labeling of foods containing added iodine12

    Science.gov (United States)

    Trumbo, Paula R

    2016-01-01

    The US Food and Drug Administration (FDA) regulates the addition of iodine to infant formulas, the iodization of salt, and the addition of salt and iodine to foods. The required amount of iodine in infant formulas is based on caloric content, and the label must provide the iodine content per 100 kcal. Cuprous iodide and potassium iodide may be added to table salt as a source of dietary iodine at a maximum amount of 0.01%; if added, the label must indicate that the salt is iodized. Table salt to which iodine has not been added must bear the statement, “This salt does not supply iodide, a necessary nutrient.” If a nutrient is to be appropriately added to a food for the purpose of correcting a dietary insufficiency, there should be sufficient scientific information available to demonstrate a nutritional deficiency and/or identify a public health problem. Furthermore, the population groups that would benefit from the proposed fortification should be identified. If iodine is added to a food, the percent Daily Value of iodine must be listed. There are no FDA regulations governing ingredient standards for dietary supplements. As a result, some dietary supplements include iodine and others do not. If a supplement contains iodine, the Supplement Facts label must list iodine as a nutrient ingredient. If iodine is not listed on the Supplement Facts label, then it has not been added. There are similarities between the FDA, which establishes US food regulations and policies, and the Codex Alimentarius (Codex), which develops international food standards and guidelines under the aegis of the FAO and the WHO. Both the FDA and Codex call for the labeling of table salt to indicate fortification with iodine, voluntary labeling of iodine on foods, and a Daily Value (called a Nutrient Reference Value by Codex) of 150 μg for iodine. PMID:27534626

  5. LWR severe accident simulation: Iodine behaviour in FPT2 experiment and advances on containment iodine chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Girault, N., E-mail: nathalie.girault@irsn.fr [Institut de Radioprotection et de Surete Nucleaire (IRSN), BP3 - 13115 St.-Paul-lez-Durance (France); Bosland, L. [Institut de Radioprotection et de Surete Nucleaire (IRSN), BP3 - 13115 St.-Paul-lez-Durance (France); Dickinson, S. [National Nuclear Laboratory, Harwell, Oxon OX11 0QT (United Kingdom); Funke, F. [AREVA NP Gmbh, PO Box 1109, 91001 Erlangen (Germany); Guentay, S. [Paul Scherrer Institut, 5232 Villigen PSI (Switzerland); Herranz, L.E. [Centro des Investigaciones Energeticas, MedioAmbiantales y Tecnologicas, av. Complutense 2, 28040 Madrid (Spain); Powers, D. [Sandia National Laboratories, New Mexico, PO Box 5800, Albuquerque, NM 87185 (United States)

    2012-02-15

    Highlights: Black-Right-Pointing-Pointer Short term gaseous iodine fraction can be produced either in primary circuit or on containment condensing surfaces. Black-Right-Pointing-Pointer Gaseous radiolytic reactions convert volatile iodine into non-volatile iodine oxide particulates. Black-Right-Pointing-Pointer Alkaline and evaporating sump decrease the iodine volatility in containment. Black-Right-Pointing-Pointer Release of volatile iodine from containment surfaces explained the long term stationary residual gaseous iodine concentration. - Abstract: The Phebus Fission Product (FP) Program studies key phenomena of severe accidents in water-cooled nuclear reactors. In the framework of the Phebus program, five in-pile experiments have been performed that cover fuel rod degradation and behaviour of fission products released via the coolant circuit into the containment vessel. The focus of this paper is on iodine behaviour during the Phebus FPT2 test. FPT2 used a 33 GWd/t uranium dioxide fuel enriched to 4.5%, re-irradiated in situ for 7 days to a burn-up of 130 MWd/t. This test was performed to study the impact of steam-poor conditions and boric acid on the fission product chemistry. For the containment vessel, more specifically, the objective was to study iodine chemistry in an alkaline sump under evaporating conditions. The iodine results of the Phebus FPT2 test confirmed many of the essential features of iodine behaviour in the containment vessel provided by the first two Phebus tests, FPT0 and FPT1. These are the existence of an early gaseous iodine fraction, the persistence of low gaseous iodine concentrations and the importance of the sump in suppressing the iodine partitioning from sump to atmosphere. The main new insights provided by the Phebus FPT2 test were the iodine desorption from stainless steel walls deposits and the role of the evaporating sump in further iodine depletion in the containment atmosphere. The current paper presents an interpretation of

  6. Influences of impurities on iodine removal efficiency of silver alumina adsorbent

    Energy Technology Data Exchange (ETDEWEB)

    Fukasawa, Tetsuo; Funabashi, Kiyomi [Hitachi, Ltd., Ibaraki (Japan); Kondo, Yoshikazu [Hitachi, Ltd., Ibaraki (Japan)

    1997-08-01

    Silver impregnated alumina adsorbent (AgA), which was developed for iodine removal from off-gas of nuclear power and reprocessing plants has been tested laying emphasis on investigation of the influences gaseous impurities have on adsorbent chemical stability and iodine removal efficiency. The influences of the major impurities such as nitrogen oxides and water vapor were checked on the chemical state of impregnated silver compound (AgNO{sub 3}) and decontamination factor (DF) value. At 150{degrees}C, a forced air flow with 1.5% nitrogen oxide (NO/NO{sub 2}=1/1) reduced silver nitrate to metallic silver, whereas pure air and air with 1.5% NO{sub 2} had no effect on the chemical state of silver. Metallic silver showed a lower DF value for methyl iodide in pure air (without impurities) than silver nitrate and the lower DF of metallic silver was improved when impurities were added. At 40{degrees}C, a forced air flow with 1.5% nitrogen dioxide (NO{sub 2}) increased the AgA weight by about 20%, which was caused by the adsorption of nitric acid solution on the AgA surface. AgA with l0wt% silver showed higher weight increase than that with 24wt% silver which had lower porosity. Adsorption of acid solution lowered the DF value, which would be due to the hindrance of contact between methyl iodide and silver. The influences of other gaseous impurities were also investigated and AgA showed superior characteristics at high temperatures. 14 refs., 11 figs.

  7. Radioactive Iodine Treatment for Hyperthyroidism

    Science.gov (United States)

    ... Balance › Radioactive Iodine for Hyperthyroidism Fact Sheet Radioactive Iodine for Hyperthyroidism April, 2012 Download PDFs English Zulu ... prepare for RAI or surgery. How does radioactive iodine treatment work? Iodine is important for making thyroid ...

  8. Adsorption of ammonia on vanadium-antimony mixed oxides

    Energy Technology Data Exchange (ETDEWEB)

    Seitz, Hernan; German, Estefania [Departamento e Instituto de Fisica del Sur, Universidad Nacional del Sur-CONICET, Avda. Alem 1253, (8000) Bahia Blanca (Argentina); Juan, Alfredo, E-mail: cajuan@uns.edu.ar [Departamento e Instituto de Fisica del Sur, Universidad Nacional del Sur-CONICET, Avda. Alem 1253, (8000) Bahia Blanca (Argentina); Irigoyen, Beatriz [Departamento de Ingenieria Quimica, Facultad de Ingenieria, Universidad de Buenos Aires, Pabellon de Industrias, Ciudad Universitaria, (1428) Ciudad Autonoma de Buenos Aires (Argentina)

    2012-02-01

    We analyzed the adsorption of ammonia (NH{sub 3}) on the VSbO{sub 4}(1 1 0) catalyst surface using density functional theory (DFT) calculations. We followed the evolution of the chemical bonds between different atoms of the resulting NH{sub 3}/VSbO{sub 4} system and the changes in the electronic structure of the catalyst. NH{sub 3} preferential adsorption geometries were analyzed through the crystal orbital overlap population (COOP) concept and the density of states (DOS) curves. The VSbO{sub 4}(1 1 0) surface exhibits Lewis and Bronsted acid sites on which the ammonia molecule can interact. On the Lewis acid site, NH{sub 3} adsorption resulted in the interaction between the N and a surface V-isolated cation. On Bronsted acid site, N interacted with a surface H coming from the chemical dissociation of water. The COOP analysis indicate that NH{sub 3} interaction on the VSbO{sub 4}(1 1 0) surface is weak. In addition, the DOS curves show more developed electronic interactions for NH{sub 3} adsorption on Lewis acid site than over Bronsted acid site.

  9. Estimation of iodine intake from various urinary iodine measurements in population studies

    DEFF Research Database (Denmark)

    Vejbjerg, P.; Knudsen, N.; Perrild, H.

    2009-01-01

    Background: Iodine intake is often measured by a surrogate measure, namely urine iodine excretion as almost all ingested iodine is excreted in the urine. However, the methods for urine collection and the reporting of the results vary. These methods, and their advantages and disadvantages, are con...

  10. Suboptimal Iodine Concentration in Breastmilk and Inadequate Iodine Intake among Lactating Women in Norway.

    Science.gov (United States)

    Henjum, Sigrun; Lilleengen, Anne Marie; Aakre, Inger; Dudareva, Anna; Gjengedal, Elin Lovise Folven; Meltzer, Helle Margrete; Brantsæter, Anne Lise

    2017-06-22

    Breastfed infants depend on sufficient maternal iodine intake for optimal growth and neurological development. Despite this, few studies have assessed iodine concentrations in human milk and there is currently no published data on iodine status among lactating women in Norway. The aim of this study was to assess iodine concentrations in breast milk (BMIC) in lactating women and estimate iodine intake. Five Mother and Child Health Centres in Oslo were randomly selected during 2016, and 175 lactating women between 2nd and 28th weeks postpartum participated. Each of the women provided four breastmilk samples which were pooled and analysed for iodine concentrations. Participants also provided information on iodine intake from food and supplements covering the last 24 h and the habitual iodine intake (food frequency questionnaire). The median (p25, p75 percentiles) BMIC was 68 (45, 98) µg/L and 76% had BMIC food (p25, p75) was 121 (82, 162) µg/day and the total intake (food and supplements) was 134 (95, 222) µg/day. The majority of lactating women had suboptimal BMIC and inadequate intake of iodine from food and supplements.

  11. Dissociation dynamics of CH3I in electric spark induced breakdown revealed by time-resolved laser induced breakdown spectroscopy

    International Nuclear Information System (INIS)

    Wang, Yang; Liu, Wei-long; Song, Yun-fei; Duo, Li-ping; Liu, Yu-qiang; Yang, Yan-qiang

    2015-01-01

    Highlights: • Emission of electric spark dissociation of CH 3 I is similar to its fs LIBS. • We use fs laser induced breakdown as a simulation for electric spark dissociation. • The I 2 molecule formation is directly observed in the time-resolved LIBS. • Bimolecular collision of I ∗ and CH 3 I is responsible for the formation of I 2 . - Abstract: The electric discharge spark dissociation of gas CH 3 I is found to be similar to its femtosecond laser photodissociation. The almost identical spectra of the two processes show that their initial ionization conditions are very similar. The initial ionization followed by molecular fragmentation is proposed as the dissociation mechanism, in which the characteristic emissions of I + , CH 3 , CH 2 , CH, H, and I 2 are identified as the dissociation products. The emission band of 505 nm I 2 is clearly observed in the time-resolved laser induced breakdown spectroscopy (LIBS). The dynamic curve indicates that I 2 ∗ molecules are formed after the delay time of ∼4.7 ns. The formation of I 2 ∗ molecule results from the bimolecular collision of the highly excited iodine atom I ∗ ( 4 P) and CH 3 I molecule. This dynamical information can help understand the process of electric discharge spark dissociation of CH 3 I

  12. Measurement of thyroid volume, iodine concentration and total iodine content by CT and its clinical significance

    International Nuclear Information System (INIS)

    Nakaji, Shunsuke; Imanishi, Yoshimasa; Okamoto, Kyouko; Shinagawa, Toshihito

    2007-01-01

    Recently, Imanishi et al have developed new CT software for quantitative in vivo measurement of thyroid iodine. Using a CT system with the software, we measured volume, iodine concentration and total iodine content of thyroids in 63 controls and 435 patients with various diffuse thyroid diseases and thyroid nodules. In controls, all of them showed no difference between the sexes. Although the iodine concentration of the thyroid showed no difference among children, adults and seniles, the volume and total iodine content of the thyroid appeared smaller in children and seniles than in adults. In addition, although the volume and iodine concentration of the thyroid had two peaks in distribution, the total iodine content had almost normal distribution. Normal range of volume, iodine concentration and total iodine content in adults were 5.2-15.5 cm 3 , 0.28831-0.85919 mg/cm 3 and 2.35-11.69 mg, respectively. In thyroid nodule, there is no significant difference in volume, iodine concentration and total iodine content between benign and malignant nodules. All nodules with iodine concentration of less than 0.00007 mg/cm 3 were benign. No thyroid was higher in iodine concentration than the normal range although the thyroid was lower in 78.7% of patients with diffuse thyroid diseases. In all thyroids with increasing iodine concentration and total iodine content in medication course, thyroidal symptoms and signs were uncontrollable by the medication. In 43.8% of patients with long-period systemic diseases, the thyroid showed abnormality in any of the three. We concluded that quantitative in vivo measurement of thyroid iodine by CT could assist the diagnosis of thyroid diseases and decision of therapeutic methods. (author)

  13. Water Adsorption on TiO2

    DEFF Research Database (Denmark)

    Hammer, Bjørk; Wendt, Stefan; Besenbacher, Flemming

    2010-01-01

    Scanning Tunneling Microscopy (STM) studies and Density Functional Theory (DFT) investigations of the interaction of water with the rutile TiO2 (110) surface are summarized. From high-resolution STM the following reactions have been revealed: water adsorption and diffusion in the Ti troughs, water...... dissociation in bridging oxygen vacancies, assembly of adsorbed water monomers into rapidly diffusing water dimers, and formation of water dimers by reduction of oxygen molecules. The STM results are rationalized based on DFT calculations, revealing the bonding geometries and reaction pathways of the water...

  14. The effect of Pd ensemble structure on the O2 dissociation and CO oxidation mechanisms on Au—Pd(100) surface alloys

    Science.gov (United States)

    Oǧuz, Ismail-Can; Mineva, Tzonka; Guesmi, Hazar

    2018-01-01

    The reactivity of various Pd ensembles on the Au—Pd(100) alloy catalyst toward CO oxidation was investigated by using density functional theory (DFT). This study was prompted by the search for efficient catalysts operating at low temperature for the CO oxidation reaction that is of primary environmental importance. To this aim, we considered Pd modified Au(100) surfaces including Pd monomers, Pd dimers, second neighboring Pd atoms, and Pd chains in a comparative study of the minimum energy reaction pathways. The effect of dispersion interactions was included in the calculations of the O2 dissociation reaction pathway by using the DFT-D3 scheme. The addition of the dispersion interaction strongly improves the adsorption ability of O2 on the Au—Pd surface but does not affect the activation energy barriers of the Transitions States (TSs). As for O2 to dissociate, it is imperative that the TS has lower activation energy than the O2 desorption energy. DFT-D3 is found to favor, in some cases, O2 dissociation on configurations being identified from uncorrected DFT calculations as inactive. This is the case of the second neighboring Pd configuration for which uncorrected DFT predicts positive Gibbs free energy (ΔG) of the O2 adsorption, therefore an endergonic reaction. With the addition of D3 correction, ΔG becomes negative that reveals a spontaneous O2 adsorption. Among the investigated Au—Pd (100) ensembles, the Pd chain dissociates most easily O2 and highly stabilizes the dissociated O atoms; however, it has an inferior reactivity toward CO oxidation and CO2 formation. Indeed, CO strongly adsorbs on the palladium bridge sites and therefore poisoning the surface Pd chain. By contrast, the second neighboring Pd configuration that shows somewhat lower ability to dissociate O2 turns out to be more reactive in the CO2 formation step. These results evidence the complex effect of Pd ensembles on the CO oxidation reaction. Associative CO oxidation proceeds with high

  15. Local radiolytic effectiveness of Auger electrons of iodine-125 in benzene-iodine solutions

    International Nuclear Information System (INIS)

    Uenak, P.; Uenak, T.

    1987-01-01

    High radiotoxicity of iodine-125 has been mainly attributed to the local radiolytic effects of Auger electrons on biological systems. In the present study, experimental and theoretical results are compared. The agreement between the experimental and theoretical results explains that the energy absorption of iodine aggregates has an important role in the radiolytic effectiveness of Auger electrons and iodine-125 in benzene-iodine solutions. (author) 18 refs.; 3 figs

  16. Molecular environment of iodine in naturally iodinated humic substances: Insight from X-ray absorption spectroscopy

    International Nuclear Information System (INIS)

    Schlegel, Michel L.; Mercier-Bion, Florence; Barre, Nicole; Reiller, Pascal; Moulin, Valerie

    2006-01-01

    The molecular environment of iodine in reference inorganic and organic compounds, and in dry humic and fulvic acids (HAs and FAs) extracted from subsurface and deep aquifers was probed by iodine L-3-edge X-ray absorption spectroscopy. The X-ray absorption near-edge structure (XANES) of iodine spectra from HAs and FAs resembled those of organic references and displayed structural features consistent with iodine forming covalent bonds with organic molecules. Simulation of XANES spectra by linear combination of reference spectra suggested the predominance of iodine forming covalent bonds to aromatic rings (aromatic-bound iodine). Comparison of extended X-ray absorption fine structure (EXAFS) spectra of reference and samples further showed that iodine was surrounded by carbon shells at distances comparable to those for references containing aromatic-bound iodine. Quantitative analysis of EXAFS spectra indicated that iodine was bound to about one carbon at a distance d(I-C) of 2.01(4)-2.04(9) angstrom, which was comparable to the distances observed for aromatic-bound iodine in references (1.99(1)-2.07(6) angstrom), and significantly shorter than that observed for aliphatic-bound iodine (2.15(2)-2.16(2) angstrom). These results are in agreement with previous conclusions from X-ray photoelectron spectroscopy and from electro-spray ionization mass spectrometry. These results collectively suggest that the aromatic-bound iodine is stable in the various aquifers of this study. (authors)

  17. Controversies in urinary iodine determinations

    OpenAIRE

    Soldin, Offie Porat

    2002-01-01

    Iodine deficiency (ID) is associated with increased prevalence of goiter, increased risk for neurodevelopmental disorders, and is the world’s leading cause of intellectual deficits. Iodine nutritional status of a population is assessed by measurements of urinary iodine concentrations which are also used to define, indicate, survey and monitor iodine deficiency and consequently its treatment. Several methods are available for urinary iodine determination. Discussed here are some of the limitat...

  18. A rechargeable iodine-carbon battery that exploits ion intercalation and iodine redox chemistry.

    Science.gov (United States)

    Lu, Ke; Hu, Ziyu; Ma, Jizhen; Ma, Houyi; Dai, Liming; Zhang, Jintao

    2017-09-13

    Graphitic carbons have been used as conductive supports for developing rechargeable batteries. However, the classic ion intercalation in graphitic carbon has yet to be coupled with extrinsic redox reactions to develop rechargeable batteries. Herein, we demonstrate the preparation of a free-standing, flexible nitrogen and phosphorus co-doped hierarchically porous graphitic carbon for iodine loading by pyrolysis of polyaniline coated cellulose wiper. We find that heteroatoms could provide additional defect sites for encapsulating iodine while the porous carbon skeleton facilitates redox reactions of iodine and ion intercalation. The combination of ion intercalation with redox reactions of iodine allows for developing rechargeable iodine-carbon batteries free from the unsafe lithium/sodium metals, and hence eliminates the long-standing safety issue. The unique architecture of the hierarchically porous graphitic carbon with heteroatom doping not only provides suitable spaces for both iodine encapsulation and cation intercalation but also generates efficient electronic and ionic transport pathways, thus leading to enhanced performance.Carbon-based electrodes able to intercalate Li + and Na + ions have been exploited for high performing energy storage devices. Here, the authors combine the ion intercalation properties of porous graphitic carbons with the redox chemistry of iodine to produce iodine-carbon batteries with high reversible capacities.

  19. Effect of chronic douching with polyvinylpyrrolidone-iodine on iodine absorption and thyroid function

    International Nuclear Information System (INIS)

    Safran, M.; Braverman, L.E.

    1982-01-01

    Daily vaginal douching with polyvinylpyrrolidone-iodine in 12 euthyroid volunteers for 14 days resulted in a significant increase in serum total iodine concentration and urine iodine excretion. The increase in serum total iodine was associated with a marked decrease in 24-hour 123 I uptake by the thyroid and a small but significant increase in serum thyrotropin (TSH) concentration. However, values for serum TSH never rose above the normal range. No significant changes in serum thyroxine (T4), free T4 index (FTI), or triiodothyronine concentrations were observed, although serum T4 and FTI did decrease slightly during treatment. The findings suggest that iodine is absorbed across the vaginal mucosa and that the subsequent increase in serum total iodine does induce subtle increases in serum TSH concentration. There was no evidence, however, of overt hypothyroidism in these euthyroid women

  20. Iodine tablets and a nuclear accident

    International Nuclear Information System (INIS)

    Paile, W.

    1992-01-01

    Radioactive iodine is one of the major substances released during severe nuclear accidents. Radioactive iodine is easily gasified, and if present in fallout it can enter the lungs, and thereby the circulatory system, with the inhalation of air. Once in a body, radioactive iodine accumulates in the thyroid and may result in tumours in the thyroid and, in extreme cases, impaired thyroid function. Accumulation of radioactive iodine can be prevented by taking non-radioactive, 'cold' iodine as tablets. Iodine tablets dilute the radioactive iodine that has entered the body. A dose of iodine also paralyses the thyroid temporarily by saturating its iodine-carrying capacity. To be useful iodine tablets should be taken immediately when a radioactive emission has occurred. If the tablets are taken too early or too late, they give little protection. Iodine tablets should not be taken just to be on the safe side, since their use may involve harmful side effects. Dosing instructions should also be followed with care. (orig.)

  1. Iodine deficiency and nutrition in Scandinavia

    DEFF Research Database (Denmark)

    Manousou, Sofia; Dahl, Lisbeth; Heinsbaek Thuesen, Betina

    2017-01-01

    Iodine nutrition is a result of geological conditions, iodine fortification and monitoring strategies within a country together with the dietary habits of the population. This review summarizes the basis for the current iodine situation in the Scandinavian countries in order to identify gaps...... strategies have been used in Scandinavia to improve iodine nutrition. The major source of iodine is iodized salt in Sweden and from milk and dairy products in Norway. In Denmark, drinking water, milk, dairy products and iodized salt used in commercial production of bread are the important sources of iodine....... The current iodine status in Scandinavia is not optimal and action is ongoing to increase iodination in Denmark, where there is mild iodine deficiency in the general population. Data from all three countries indicate insufficient iodine nutrition during pregnancy and there is a need for data from children...

  2. Iodine requirements and the risks and benefits of correcting iodine deficiency in populations

    NARCIS (Netherlands)

    Zimmermann, M.B.

    2008-01-01

    Iodine deficiency has multiple adverse effects on growth and development due to inadequate thyroid hormone production that are termed the iodine deficiency disorders (IDD). IDD remains the most common cause of preventable mental impairment worldwide. IDD assessment methods include urinary iodine

  3. Volatilization of iodine from vegetation

    International Nuclear Information System (INIS)

    Amiro, B.D.; Johnston, F.L.

    1989-01-01

    Gaseous emissions of iodine were measured from bean plant foliage. A gamma-emitting iodine tracer, Na 125 I, was taken up by the plants from a hydroponic growth medium and released to a cuvette atmosphere. The dynamics of the flux were studied using a flow-through gamma detector. The relationship between leaf radioactive tracer activity and growth-medium activity was linear, as was the relationship between the iodine flux and both leaf and growth-medium activity. Iodine flux and leaf conductance to water responded similarly to changes in light levels, suggesting that the stomata may partially control the flux. The flux was inhibited by aeration of the hydroponic growth media, and we postulate that methylation causes the iodine flux. Iodine emissions from living vegetation probably contribute < 0.1% to the stable iodine concentration in the atmosphere above terrestrial areas. However, this pathway may be a direct route for radioactive iodine transport from contaminated soils to the atmosphere. (author)

  4. Volatilization of iodine from vegetation

    Energy Technology Data Exchange (ETDEWEB)

    Amiro, B D; Johnston, F L [Atomic Energy of Canada Ltd., Pinawa, MB (Canada). Whiteshell Nuclear Research Establishment

    1989-01-01

    Gaseous emissions of iodine were measured from bean plant foliage. A gamma-emitting iodine tracer, Na {sup 125}I, was taken up by the plants from a hydroponic growth medium and released to a cuvette atmosphere. The dynamics of the flux were studied using a flow-through gamma detector. The relationship between leaf radioactive tracer activity and growth-medium activity was linear, as was the relationship between the iodine flux and both leaf and growth-medium activity. Iodine flux and leaf conductance to water responded similarly to changes in light levels, suggesting that the stomata may partially control the flux. The flux was inhibited by aeration of the hydroponic growth media, and we postulate that methylation causes the iodine flux. Iodine emissions from living vegetation probably contribute < 0.1% to the stable iodine concentration in the atmosphere above terrestrial areas. However, this pathway may be a direct route for radioactive iodine transport from contaminated soils to the atmosphere. (author).

  5. The Status of Iodine Nutrition and Iodine Deficiency Disorders ...

    African Journals Online (AJOL)

    Background: Iodine deficiency disorders are serious public health problems in Ethiopia. The aim of this study was to measure the prevalence and severity of iodine deficiency disorders among school children in Metekel Zone. Methods: A cross-sectional school based descriptive study was conducted between February 2011 ...

  6. Iodine filters in nuclear installations

    International Nuclear Information System (INIS)

    Wilhelm, J.G.

    1982-01-01

    The present report discusses the significance for environmental exposure of the iodine released with the gaseous effluents of nuclear power stations and reprocessing plants in relation to releases of other airborne radionuclides. Iodine filtration processes are described. The release pathways and the composition of airborne fission product iodine mixtures and their bearing on environmental exposure are discussed on the basis of measured fission product iodine emissions. The sorbents which can be used for iodine filtration, their removal efficiencies and range of applications are dealt with in detail. The particular conditions governing iodine removal, which are determined by the various gaseous iodine species, are illustrated on the basis of experimentally determined retention profiles. Particular attention is given to the limitations imposed by temperature, humidity, radiation and filter poisoning. The types of filter normally used are described, their advantages and drawbacks discussed, the principles underlying their design are outlined and the sources of error indicated. The methods normally applied to test the efficiency of various iodine sorbents are described and assessed. Operating experience with iodine filters, gathered from surveillance periods of many years, is supplemented by a large number of test results and the findings of extensive experiments. Possible ways of prolonging the permissible service lives of iodine filters are discussed and information is given on protective measures. The various iodine removal processes applied in reprocessing plants are described and compared with reference to efficiency and cost. The latest developments in filter technology in reprocessing plants are briefly outlined

  7. Generation of atomic iodine via fluorine for chemical oxygen-iodine laser

    International Nuclear Information System (INIS)

    Jirasek, Vit; Spalek, Otomar; Censky, Miroslav; Pickova, Irena; Kodymova, Jarmila; Jakubec, Ivo

    2007-01-01

    A method of the chemical generation of atomic iodine for a chemical oxygen-iodine laser (COIL) using atomic fluorine as a reaction intermediate was studied experimentally. This method is based on the reaction between F 2 and NO providing F atoms, and the reaction of F with HI resulting in iodine atoms generation. Atomic iodine was produced with efficiency exceeding 40% relative to initial F 2 flow rate. This efficiency was nearly independent on pressure and total gas flow rate. The F atoms were stable in the reactor up to 2 ms. An optimum ratio of the reactants flow rates was F 2 :NO:HI = 1:1:1. A rate constant of the reaction of F 2 with HI was determined. The numerical modelling showed that remaining HI and IF were probably consumed in their mutual reaction. The reaction system was found suitable for employing in a generator of atomic iodine with its subsequent injection into a supersonic nozzle of a COIL

  8. Adsorption of ammonia at GaN(0001) surface in the mixed ammonia/hydrogen ambient - a summary of ab initio data

    International Nuclear Information System (INIS)

    Kempisty, Paweł; Krukowski, Stanisław

    2014-01-01

    Adsorption of ammonia at NH 3 /NH 2 /H-covered GaN(0001) surface was analyzed using results of ab initio calculations. The whole configuration space of partially NH 3 /NH 2 /H-covered GaN(0001) surface was divided into zones of differently pinned Fermi level: at the Ga broken bond state for dominantly bare surface (region I), at the valence band maximum (VBM) for NH 2 and H-covered surface (region II), and at the conduction band minimum (CBM) for NH 3 -covered surface (region III). The electron counting rule (ECR) extension was formulated for the case of adsorbed molecules. The extensive ab intio calculations show the validity of the ECR in case of all mixed H-NH 2 -NH 3 coverages for the determination of the borders between the three regions. The adsorption was analyzed using the recently identified dependence of the adsorption energy on the charge transfer at the surface. For region I ammonia adsorbs dissociatively, disintegrating into a H adatom and a HN 2 radical for a large fraction of vacant sites, while for region II adsorption of ammonia is molecular. The dissociative adsorption energy strongly depends on the Fermi level at the surface (pinned) and in the bulk (unpinned) while the molecular adsorption energy is determined by bonding to surface only, in accordance to the recently published theory. Adsorption of Ammonia in region III (Fermi level pinned at CBM) leads to an unstable configuration both molecular and dissociative, which is explained by the fact that broken Ga-bonds are doubly occupied by electrons. The adsorbing ammonia brings 8 electrons to the surface, necessitating the transfer of these two electrons from the Ga broken bond state to the Fermi level. This is an energetically costly process. Adsorption of ammonia at H-covered site leads to the creation of a NH 2 radical at the surface and escape of H 2 molecule. The process energy is close to 0.12 eV, thus not large, but the direct inverse process is not possible due to the escape of the

  9. Breastfeeding and maternal and infant iodine nutrition.

    Science.gov (United States)

    Azizi, Fereidoun; Smyth, Peter

    2009-05-01

    The aim of this review is to explore information available regarding iodine secretion in milk, both mothers and infants iodine nutrition during breastfeeding and to make recommendations for appropriate iodine supplementation during lactation. MEDLINE was queried for studies between 1960 and 2007 that included lactation and breastfeeding with iodine and iodine deficiency. Studies were selected if they studied (i) Secretion of iodine in breast milk; (ii) breastfeeding and iodine nutrition; (iii) factors affecting maternal iodine metabolism and (iv) recommendations for iodine supplementation during breastfeeding. Thirty-six articles met the selection criteria. The iodine content of breast milk varies with dietary iodine intake, being lowest in areas of iodine deficiency with high prevalence of goitre. Milk iodine levels are correspondingly higher when programs of iodine prophylaxis such as salt iodization or administration of iodized oil have been introduced. The small iodine pool of the neonatal thyroid turns over very rapidly and is highly sensitive to variations in dietary iodine intake. Expression of the sodium iodide symporter is up-regulated in the lactating mammary gland which results in preferential uptake of iodide. In areas of iodine sufficiency breast milk iodine concentration should be in the range of 100-150 microg/dl. Studies from France, Germany, Belgium, Sweden, Spain, Italy, Denmark, Thailand and Zaire have shown breast milk concentrations of nutrition. The current WHO/ICCIDD/UNICEF recommendation for daily iodine intake (250 microg for lactating mothers) has been selected to ensure that iodine deficiency dose not occur in the postpartum period and that the iodine content of the milk is sufficient for the infant's iodine requirement.

  10. Adsorption Model for Off-Gas Separation

    Energy Technology Data Exchange (ETDEWEB)

    Veronica J. Rutledge

    2011-03-01

    The absence of industrial scale nuclear fuel reprocessing in the U.S. has precluded the necessary driver for developing the advanced simulation capability now prevalent in so many other countries. Thus, it is essential to model complex series of unit operations to simulate, understand, and predict inherent transient behavior and feedback loops. A capability of accurately simulating the dynamic behavior of advanced fuel cycle separation processes will provide substantial cost savings and many technical benefits. The specific fuel cycle separation process discussed in this report is the off-gas treatment system. The off-gas separation consists of a series of scrubbers and adsorption beds to capture constituents of interest. Dynamic models are being developed to simulate each unit operation involved so each unit operation can be used as a stand-alone model and in series with multiple others. Currently, an adsorption model has been developed in gPROMS software. Inputs include gas stream constituents, sorbent, and column properties, equilibrium and kinetic data, and inlet conditions. It models dispersed plug flow in a packed bed under non-isothermal and non-isobaric conditions for a multiple component gas stream. The simulation outputs component concentrations along the column length as a function of time from which the breakthrough data is obtained. It also outputs temperature along the column length as a function of time and pressure drop along the column length. Experimental data will be input into the adsorption model to develop a model specific for iodine adsorption on silver mordenite as well as model(s) specific for krypton and xenon adsorption. The model will be validated with experimental breakthrough curves. Another future off-gas modeling goal is to develop a model for the unit operation absorption. The off-gas models will be made available via the server or web for evaluation by customers.

  11. Water dissociation and CO oxidation over Au/anatase catalyst. A DFT-D2 study

    Science.gov (United States)

    Saqlain, Muhammad Adnan; Hussain, Akhtar; Siddiq, Muhammad; Leitão, Alexandre A.

    2018-03-01

    With the help of DFT-D2 methodology, we have investigated the adsorption of water on clean anatase(001) and Au/anatase(001). In the former case, adsorption energies of H2O differ to small extent computed employing GGA = PW91 and DFT-D2 methods. While the GGA = PW91 predicts that water would desorb close to 650 K on the TiO2 surface, the DFT-D2 predicts that desorption is most likely to occur above 700 K. A comparison of water adsorption on TiO2 and Au/TiO2 surfaces shows that the TiO2 prefers dimer adsorption whereas the Au/TiO2 prefers monomer adsorption. We found that the diffusion of surface hydroxyls on to the Au cluster from the Au/TiO2 periphery is unlikely and it seems that the CO oxidation would occur at the Au/TiO2 boundary. The results show that water dissociation and CO oxidation steps occur easily on Au/TiO2 indicating that this could be good alternative catalyst for water gas shift reaction industry.

  12. An Assessment of the Selenium Status of Iodine-Deficient and Non-Iodine Deficient Filipino Children

    Directory of Open Access Journals (Sweden)

    Ma. Sofia Amarra

    2002-06-01

    Full Text Available The aim of this study is to examine and compare blood selenium levels in iodine-deficient and non-iodine deficient children. Two groups of children were examined: one group with iodine deficiency (n=31 and the other group with normal iodine status (n=32. Blood was extracted by venipuncture from children aged 6-10 years attending first grade in Commonwealth Elementary School in Quezon City. Whole blood selenium was examined by electrothermal atomic absorption spectrophotometry (AAS. Iodine status was determined by goiter palpation and urinary iodine excretion. Mean selenium levels of deficient and non-deficient children were compared using T-test. Using a cut-off value of 60 mg Se/L whole blood, the proportion of children with normal and deficient iodine status who fell below this cut-off was compared using chi-square test. Whole blood selenium values ranged from 17.6 to 133.6 mg/L. There were no significant differences in mean selenium levels between children with normal and deficient iodine status. Children with normal iodine status had a mean blood selenium level of 55.87 ± 26.3 mg/L while children with deficient iodine status had a mean level of 58.76 ± 26.4 mg/L. Sixty percent of children had blood selenium levels below the arbitrary cut-off of 60 mg/L with no significant difference between groups (p = 0.165, indicating that selenium deficiency is prevalent in this group of children regardless of iodine status. Since selenium deficiency limits the response to iodine supplementation, further investigation is needed to determine whether the same situation exists in children from other areas.

  13. Iodine removal from a gas phase

    International Nuclear Information System (INIS)

    Vikis, A. Ch.

    1982-01-01

    Iodine, e.g. radioactive iodine, present as one or more organic iodides, optionally with elemental iodine, in a gas phase (e.g. air) are removed by photochemically decomposing the organic iodides to elemental iodine, reacting the iodine produced, and any initially present with excess ozone, preferably photochemically produced in situ in the gas phase to produce solid iodine oxides, and removing the solid oxides from the gas phase. (author)

  14. Iodine removal from a gas phase

    International Nuclear Information System (INIS)

    Vikis, A.C.

    1984-01-01

    Iodine, e.g. radioactive iodine, present as one or more organic iodides, optionally with elemental iodine, in a gas phase (e.g. air) are removed by photochemically decomposing the organic iodides to elemental iodine, reacting the iodine produced, and any initially present with excess ozone, preferably photochemically produced in situ in the gas phase to produce solid iodine oxides, and removing the solid oxides from the gas phase

  15. Electronic structure of bulk AnO{sub 2} (An = U, Np, Pu) and water adsorption on the (111) and (110) surfaces of UO{sub 2} and PuO{sub 2} from hybrid density functional theory within the periodic electrostatic embedded cluster method

    Energy Technology Data Exchange (ETDEWEB)

    Wellington, Joseph P.W. [Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ (United Kingdom); Kerridge, Andrew [Department of Chemistry, Lancaster University, Bailrigg, Lancaster LA1 4YP (United Kingdom); Austin, Jonathan [National Nuclear Laboratory, Chadwick House, Warrington Road, Birchwood Park, Warrington WA3 6AE (United Kingdom); Kaltsoyannis, Nikolas, E-mail: nikolas.kaltsoyannis@manchester.ac.uk [School of Chemistry, The University of Manchester, Oxford Road, Manchester M13 9PL (United Kingdom)

    2016-12-15

    Generalised gradient approximation (PBE) and hybrid (PBE0) density functional theory (DFT) within the periodic electrostatic embedded cluster method have been used to study AnO{sub 2} bulk and surfaces (An = U, Np, Pu). The electronic structure has been investigated by examining the projected density of states (PDOS). While PBE incorrectly predicts these systems to be metallic, PBE0 finds them to be insulators, with the composition of the valence and conduction levels agreeing well with experiment. Molecular and dissociative water adsorption on the (111) and (110) surfaces of UO{sub 2} and PuO{sub 2} has been investigated, with that on the (110) surface being stronger than on the (111). Similar energies are found for molecular and dissociative adsorption on the (111) surfaces, while on the (110) there is a clear preference for dissociative adsorption. Adsorption energies and geometries on the (111) surface of UO{sub 2} are in good agreement with recent periodic DFT studies using the GGA+U approach, and our data for dissociative adsorption on the (110) surface of PuO{sub 2} match experiment rather well, especially when dispersion corrections are included. - Graphical abstract: The electronic structures of AnO{sub 2} (An = U, Np, Pu) are studied computationally with hybrid density functional theory, and the geometries and energetics of water adsorption on the low index surfaces are presented.

  16. Determination of iodide, iodate and organo-iodine in waters with a new total organic iodine measurement approach.

    Science.gov (United States)

    Gong, Tingting; Zhang, Xiangru

    2013-11-01

    The dissolved iodine species that dominate aquatic systems are iodide, iodate and organo-iodine. These species may undergo transformation to one another and thus affect the formation of iodinated disinfection byproducts during disinfection of drinking waters or wastewater effluents. In this study, a fast, sensitive and accurate method for determining these iodine species in waters was developed by derivatizing iodide and iodate to organic iodine and measuring organic iodine with a total organic iodine (TOI) measurement approach. Within this method, organo-iodine was determined directly by TOI measurement; iodide was oxidized by monochloramine to hypoiodous acid and then hypoiodous acid reacted with phenol to form organic iodine, which was determined by TOI measurement; iodate was reduced by ascorbic acid to iodide and then determined as iodide. The quantitation limit of organo-iodine or sum of organo-iodine and iodide or sum of organo-iodine, iodide and iodate was 5 μg/L as I for a 40 mL water sample (or 2.5 μg/L as I for an 80 mL water sample, or 1.25 μg/L as I for a 160 mL water sample). This method was successfully applied to the determination of iodide, iodate and organo-iodine in a variety of water samples, including tap water, seawater, urine and wastewater. The recoveries of iodide, iodate and organo-iodine were 91-109%, 90-108% and 91-108%, respectively. The concentrations and distributions of iodine species in different water samples were obtained and compared. Copyright © 2013 Elsevier Ltd. All rights reserved.

  17. Ion bombardment and adsorption studies on ilmenite (FeTiO3) by X-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Schulze, P.D.

    1983-01-01

    The effects of 5 KeV argon and oxygen ion bombardment on FeTiO3 (ilmenite) at low temperatures have been studied using x-ray photoelectron spectroscopy (XPS). Also, using this same technique, the adsorption of O 2 , NO, N 2 O, and CO at 300 K and the adsorption of O 2 and D 2 O at 150K have been studied. Argon and oxygen ion bombardment of ilmenite have confirmed earlier studies on metal oxides that argon ions generally reduce the anion species while oxygen ions generally oxidize the anion species. The two iron states involved were Fe sup +2 and Fe sup O. The reduction of Ti sup +4 was not verified although a significant shift in the Ti(2p1,3) binding energies toward the metallic state was observed after oxygen ion bombardment at low temperatures. At temperatures above 150K, O 2 adsorbs dissociatively on ilmenite while D 2 O adsorbs molecularly below 170K. Above 300 K NO, N 2 O, and CO do not appear to adsorb dissociatively. Low temperature adsorption of D 2 O was found to be inhibited by predosing the ilmenite with O 2

  18. Ion bombardment and adsorption studies on ilmenite (FeTiO3) by X-ray photoelectron spectroscopy

    Science.gov (United States)

    Schulze, P. D.

    1983-01-01

    The effects of 5 KeV argon and oxygen ion bombardment on FeTiO3 (ilmenite) at low temperatures have been studied using X-ray photoelectron spectroscopy (XPS). Also, using this same technique, the adsorption of O2, NO, N2O, and CO at 300 K and the adsorption of O2 and D2O at 150K have been studied. Argon and oxygen ion bombardment of ilmenite have confirmed earlier studies on metal oxides that argon ions generally reduce the anion species while oxygen ions generally oxidize the anion species. The two iron states involved were Fe sup +2 and Fe sup O. The reduction of Ti sup +4 was not verified although a significant shift in the Ti(2p1,3) binding energies toward the metallic state was observed after oxygen ion bombardment at low temperatures. At temperatures above 150K, O2 adsorbs dissociatively on ilmenite while D2O adsorbs molecularly below 170K. Above 300 K No, N2O, and CO do not appear to adsorb dissociatively. Low temperature adsorption of D2O was found to be inhibited by predosing the ilmenite with O2.

  19. DFT simulations of water adsorption and activation on low-index α-Ga2O3 surfaces.

    Science.gov (United States)

    Zhou, Xin; Hensen, Emiel J M; van Santen, Rutger A; Li, Can

    2014-06-02

    Density functional theory (DFT) calculations are used to explore water adsorption and activation on different α-Ga2O3 surfaces, namely (001), (100), (110), and (012). The geometries and binding energies of molecular and dissociative adsorption are studied as a function of coverage. The simulations reveal that dissociative water adsorption on all the studied low-index surfaces are thermodynamically favorable. Analysis of surface energies suggests that the most preferentially exposed surface is (012). The contribution of surface relaxation to the respective surface energies is significant. Calculations of electron local density of states indicate that the electron-energy band gaps for the four investigated surfaces appears to be less related to the difference in coordinative unsaturation of the surface atoms, but rather to changes in the ionicity of the surface chemical bonds. The electrochemical computation is used to investigate the hydrogen evolution reaction (HER) and the oxygen evolution reaction (OER) on α-Ga2O3 surfaces. Our results indicate that the (100) and (110) surfaces, which have low stability, are the most favorable ones for HER and OER, respectively. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. Site competition on metal surfaces: an electron spectroscopic study of sequential adsorption on W(110)

    International Nuclear Information System (INIS)

    Steinkilberg, M.; Menzel, D.

    1977-01-01

    Using UPS and XPS, the sequential adsorption of hydrogen + carbon monoxide, and of hydrogen + oxygen, on W(110) has been studied at room temperature. Adsorption of CO on a H-covered surface is rapid and leads to total displacement of hydrogen. The resulting CO layer however, is different from that formed on the clean surface under identical conditions, in that it consists of a higher percentage of virgin CO, while considerably more β-CO forms on the clean surface. Oxygen does not adsorb on a H-covered surface, nor displace hydrogen. It is concluded that hydrogen most probably occupies the same sites utilized by dissociative adsorption of CO and oxygen, while virgin CO can also occupy different sites; its adsorption can thus lead to interactional weakening of the H-surface bond. (Auth.)

  1. Effects of diuretics on iodine uptake in non-toxic goitre: comparison with low-iodine diet

    Energy Technology Data Exchange (ETDEWEB)

    Kapucu, L.Ozlem; Azizoglu, Firat [Department of Nuclear Medicine, Gazi University, Ankara (Turkey); Ayvaz, Goksun; Karakoc, Ayhan [Department of Endocrinology, Gazi University, Ankara (Turkey)

    2003-09-01

    Low-iodine diet has been employed to achieve iodine depletion prior to radioiodine (RI) therapy. However, treatment with diuretics may be more effective than low-iodine diet in causing iodine depletion and subsequent increase in RI uptake by the thyroid. Fifty-five patients with non-toxic goitre were given 0.20 MBq RI p.o. on the first day of the study and thyroid uptake was measured. In 15 patients, a low-iodine diet was started and continued for 14 days. The remaining 40 patients received furosemide 40 mg/day orally for 5 days with an unrestricted diet. On the 15th day of the study, all patients were given 0.20 MBq RI p.o. and thyroid RI uptake was measured again. Additionally, 24-h urinary iodine excretion and RI clearance were measured on the 1st and 6th days in 21 patients from the furosemide group and on the 1st and 15th days in eight patients from the diet group. Furosemide administration led to a 58.40% increase in iodine uptake over the baseline value, which was significantly higher than the increase caused by low-iodine diet (17.22%) (P<0.0001). Urinary excretion of RI decreased in both groups similarly (furosemide, 29.45%; low-iodine diet, 21.06%; P=0.33). Iodine clearance also decreased in each group similarly (10.61% vs 7.53%, P=0.53). Treatment with furosemide prior to administration of RI increases the uptake of RI by the thyroid more effectively than does low-iodine diet. (orig.)

  2. Iodine content in bread and salt in Denmark after iodization and the influence on iodine intake

    DEFF Research Database (Denmark)

    Rasmussen, Lone Banke; Ovesen, Lars; Christensen, Tue

    2007-01-01

    Objective To measure the iodine content in bread and household salt in Denmark after mandatory iodine fortification was introduced and to estimate the increase in iodine intake due to the fortification. Design The iodine content in rye breads, wheat breads and salt samples was assessed. The incre......, and the current fortification level of salt ( 13 ppm) seems reasonable.......% of the rye breads and 90% of the wheat breads were iodized. The median iodine intake from bread increased by 25 ( 13-43) mu g/day and the total median iodine intake increased by 63 (36-104) mu g/day. Conclusions The fortification of bread and salt has resulted in a desirable increase in iodine intake...

  3. Modelling the chemistry of iodine

    International Nuclear Information System (INIS)

    Paquette, J.

    1989-01-01

    We have assembled a kinetic model, based on elementary chemical reactions, that describes the chemical behaviour of iodine in aqueous solution as a function of time and various parameters such as pH, concentration and radiation field. The model is conceptually divided into six section: aqueous iodine chemistry, aqueous organic iodide chemistry, water radiolysis, radiolysis of iodine solutions, radiolysis of organic iodide solutions and mass transfer. The model indicates that, in the absence of a radiation field, the rate of production of volatile iodine species is controlled by the rate of oxidation of the iodide ion. The volatile iodine species are dominated by organic iodides if organic impurities are present. The single most important parameter controlling iodine volatility is the pH of the solution; high pH values tend to minimize iodine volatility. In the presence of a radiation field, the volatility of iodine is controlled by the radiation-induced oxidation of the iodide ion. Again, iodine volatility is dominated by organic iodides if organic impurities are present. High pH values minimize iodine volatility. A sensitivity analysis has been performed on some sections of the model to identify reactions to which the volatility of iodine is most sensitive. In the absence of a radiation field, the volatility is most sensitive, first, to the rate of oxidation of the iodide ion, and, second, to the rate of mass transfer of volatile species between the aqueous and the gaseous phases. This approach should be useful in identifying reactions for which accurate rate constants are required and in decreasing the complexity of the model. 37 refs

  4. Iodine status in neonates in Denmark

    DEFF Research Database (Denmark)

    Nøhr, S B; Laurberg, Peter; Børlum, K G

    1994-01-01

    Iodine status of 147 neonates born in five different regions of Denmark was evaluated in relation to the iodine content of breast milk and iodine supplementation taken by the mother. Approximately two-thirds of the women had not received iodine supplementation. They had low iodine concentrations...... in breast milk and urinary iodine concentrations of the neonates at day 5 were low. The median values (milk/urine) were 33.6/31.7 micrograms/l (Randers 22/26, Ringkøbing 29/16, Aalborg 36/31. Arhus 54/41 and Copenhagen 55/59 micrograms/l). Higher values were found in the group where tablets containing...... iodine had been taken (milk/urine: 57.0/61.0 micrograms/l). In general, the values are low compared with internationally recommended levels. We suggest that mothers without autoimmune thyroid disease should receive iodine supplementation in the form of vitamin/mineral tablets containing iodine (150...

  5. Iodine removal adsorbent histories, aging and regeneration

    International Nuclear Information System (INIS)

    Hunt, J.R.; Rankovic, L.; Lubbers, R.; Kovach, J.L.

    1976-01-01

    The experience of efficiency changes with life under various test conditions is described. The adsorbents were periodically removed from both standby and continuously operating systems and tested under various test methods for residual iodine adsorption efficiency. Adsorbent from several conventional ''sampler'' cartridges versus the bulk adsorbent was also tested showing deficiency in the use of cartridge type sampling. Currently required test conditions were found inadequate to follow the aging of the adsorbent because pre-equilibration of the sample acts as a regenerant and the sample is not tested in the ''as is'' condition. The most stringent test was found to be the ambient temperature, high humidity test to follow the aging of the adsorbent. Several methods were evaluated to regenerate used adsorbents; of these high temperature steaming and partial reimpregnation were found to produce adsorbents with near identical properties of freshly prepared adsorbents

  6. Mixed-layered bismuth--oxygen--iodine materials for capture and waste disposal of radioactive iodine

    Science.gov (United States)

    Krumhansl, James L; Nenoff, Tina M

    2015-01-06

    Materials and methods of synthesizing mixed-layered bismuth oxy-iodine materials, which can be synthesized in the presence of aqueous radioactive iodine species found in caustic solutions (e.g. NaOH or KOH). This technology provides a one-step process for both iodine sequestration and storage from nuclear fuel cycles. It results in materials that will be durable for repository conditions much like those found in Waste Isolation Pilot Plant (WIPP) and estimated for Yucca Mountain (YMP). By controlled reactant concentrations, optimized compositions of these mixed-layered bismuth oxy-iodine inorganic materials are produced that have both a high iodine weight percentage and a low solubility in groundwater environments.

  7. Mixed-layered bismuth-oxygen-iodine materials for capture and waste disposal of radioactive iodine

    Science.gov (United States)

    Krumhansl, James L; Nenoff, Tina M

    2013-02-26

    Materials and methods of synthesizing mixed-layered bismuth oxy-iodine materials, which can be synthesized in the presence of aqueous radioactive iodine species found in caustic solutions (e.g. NaOH or KOH). This technology provides a one-step process for both iodine sequestration and storage from nuclear fuel cycles. It results in materials that will be durable for repository conditions much like those found in Waste Isolation Pilot Plant (WIPP) and estimated for Yucca Mountain (YMP). By controlled reactant concentrations, optimized compositions of these mixed-layered bismuth oxy-iodine inorganic materials are produced that have both a high iodine weight percentage and a low solubility in groundwater environments.

  8. The adsorption of nitrogen oxides on crystalline ice

    Directory of Open Access Journals (Sweden)

    T. Bartels

    2002-01-01

    Full Text Available The partitioning of nitrogen oxides between ice and air is of importance to the ozone budget in the upper troposphere. In the present study, adsorption of nitrogen oxides on ice was investigated at atmospheric pressure using a chromatographic technique with radioactively labelled nitrogen oxides at low concentrations. The measured retentions solely depended on molecular adsorption and were not influenced by dimerisation, formation of encapsulated hydrates on the ice surface, dissociation of the acids, nor by migration into a quasi-liquid layer or grain boundaries. Based on the chromatographic retention and the model of thermo-chromatography, the standard adsorption enthalpy of -20 kJ mol-1 for NO, -22kJ mol-1 for NO2, -30kJ mol-1 for peroxyacetyl nitrate, -32kJ mol-1 for HON} and -44 kJ mol-1 for HNO3 was calculated. To perform those calculations within the model of thermo-chromatography, the standard adsorption entropy was calculated based on statistical thermodynamics. In this work, two different choices of standard states were applied, and consequently different values of the standard adsorption entropy, of either between -39 kJ mol-1 and -45kJ mol-1, or -164 kJ mol-1 and -169 kJ mol-1 for each nitrogen oxide were derived. The standard adsorption enthalpy was identical for both standard adsorption entropies and thus shown to be independent of the choice of standard state. A brief outlook on environmental implications of our findings indicates that adsorption on ice might be an important removal process of HNO3. In addition, it might be of some importance for HONO and peroxyacetyl nitrate and irrelevant for NO and NO2.

  9. The hierarchical porous structure bio-char assessments produced by co-pyrolysis of municipal sewage sludge and hazelnut shell and Cu(II) adsorption kinetics.

    Science.gov (United States)

    Zhao, Bing; Xu, Xinyang; Zeng, Fanqiang; Li, Haibo; Chen, Xi

    2018-05-04

    The co-pyrolysis technology was applied to municipal sewage sludge (MSS) and hazelnut shell with alkaline activating agent K 2 CO 3 under N 2 atmosphere. The innovative bio-char produced by co-pyrolysis had significant physical and chemical characteristics. The specific surface area reached 1990.23 m 2 /g, and the iodine absorption number was 1068.22 mg/g after co-pyrolysis at 850 °C. Although hazelnut shell was a kind of solid waste, it also had abundant cellulose resource, which could contribute to porous structure of bio-char during co-pyrolysis with MSS and decrease total heavy metals contents of raw material to increase security of bio-chars. Meanwhile, the residual fractions of heavy metals in bio-char were above 92.95% after co-pyrolysis at 900 °C except Cd to prevent heavy metals digestion, and the bio-char presented significant immobilization behavior from co-pyrolysis technology. Moreover, the yield and the iodine absorption number of bio-chars under different process variables were analyzed, and it was confirmed that appropriate process variables could contribute the yield and the iodine absorption number of bio-char and prevent to etch pore structure excessively to collapse. The changes of surface functional groups and crystallographic structure before and after co-pyrolysis were analyzed by FTIR and XRD, respectively. The hierarchical porous structure of bio-char was presented by SEM and N 2 adsorption-desorption isotherm. The Cu(II) adsorption capacity of the bio-char was 42.28 mg/g after 24 h, and surface functional groups acted as active binding sites for Cu(II) adsorption. Langmuir model and pseudo-second-order model can describe process of Cu(II) adsorption well.

  10. Iodine in the environment revisited

    International Nuclear Information System (INIS)

    Christiansen, J.V.; Carlsen, L.

    1989-05-01

    The report gives an overview of the environmental cycle of iodine, especially focusing on the possible reactions being responsible for the retention of iodine in the terrestrial environment. During the last two decades evidence for the presence of iodine in soil as organically bound has been presented. The major part of inorganic iodine in the terrestrial environment will, under physical and chemical conditions normally prevailing, exist as iodide. No evidence for a direct reaction between iodide and organic material has been presented, whereas strong support for the engagement of microbial activity in the formation of organic iodine compounds in soil has been obtained. Incorporation of iodine in humic substances as a result of enzymatic catalysis, involving an enzyme of the perozidase group apperas reasonable. It is concluded that microbiological activity involving extracellular enzymes most probably is responsible for the possible retention of iodine in the terrestrial environment. It is suggested that these reactions in detail should be studied experimentally. (author) 3 tabs., 2 ills., 51 refs

  11. Iodine Intakes of Victorian Schoolchildren Measured Using 24-h Urinary Iodine Excretion

    Directory of Open Access Journals (Sweden)

    Kelsey Beckford

    2017-08-01

    Full Text Available Mandatory fortification of bread with iodized salt was introduced in Australia in 2009, and studies using spot urine collections conducted post fortification indicate that Australian schoolchildren are now replete. However an accurate estimate of daily iodine intake utilizing 24-h urinary iodine excretion (UIE μg/day has not been reported and compared to the estimated average requirement (EAR. This study aimed to assess daily total iodine intake and status of a sample of primary schoolchildren using 24-h urine samples. Victorian primary school children provided 24-h urine samples between 2011 and 2013, from which urinary iodine concentration (UIC, μg/L and total iodine excretion (UIE, μg/day as an estimate of intake was determined. Valid 24-h urine samples were provided by 650 children, mean (SD age 9.3 (1.8 years (n = 359 boys. The mean UIE of 4–8 and 9–13 year olds was 94 (48 and 111 (57 μg/24-h, respectively, with 29% and 26% having a UIE below the age-specific EAR. The median (IQR UIC was 124 (83,172 μg/L, with 36% of participants having a UIC < 100 μg/L. This convenience sample of Victorian schoolchildren were found to be iodine replete, based on UIC and estimated iodine intakes derived from 24-h urine collections, confirming the findings of the Australian Health Survey.

  12. Status of urinary iodine and I-131 uptake after universal iodination of common salt

    International Nuclear Information System (INIS)

    Alam, F.; Begum, F.; Haque, M.; Karim, M.A.; Faruque, O.; Ali, L.; Khan, A.K.A.

    2002-01-01

    This work was carried out in the Institute of Institute of Nuclear Medicine (INM), Bangabandhu Sheikh Mujib Medical University and Bangladesh Institute of Research and Rehabilitation in Diabetes, Endocrine and Metabolic Disorders, Dhaka. Here we have tried to explore present status of urinary iodine and uptake status in Bangabandhu. Period study was from 1998 to 2000. Total study population was 300, of them 84 was male and 216 was female. Populations of all social and economic strata have been studied, starting from bottoms to top-level income groups as well as urban, rural and suburban populations are included randomly. We studied I-131 uptake and urinary iodine. I-131 given orally in liquid form and the quantity accumulated by the thyroid gland at 24 hours intervals of time is measured using a gamma scintillation counter. Gamma-ray emission of 364 keV energy by I-131 is detected gamma scintillation counter. Urinary iodine is estimated by CIS-BIO kit. Urine is digested with chloric acid under mild conditions and determined manually by its catalytic role in the reduction of ceric ammonium sulfate in the presence of arsenious acid. The uptake was grouped into four categories according to their uptake percentage. Group-A; (lowest uptake group) 99 subject, have uptake between 0 to 4.9%, Group-B; 100 subjects, (relatively low uptake) who have uptake between 4.91-9.9%, group-C; 73 subjects, who have uptake between 10-30% and in-group D, there was 28 subjects their uptake was above 30%. We have also found in group-A median uptake is 3.0% and urinary iodine level is 43.31 μg/dl, in group-B median uptake is 7.0% and urinary iodine level is 33.95 μg/dl, in group-C median uptake is 23.0% and urinary iodine level is 12.97 μg/dl, in group-D median uptake is 34.0% and urinary iodine level is 9.35 μg/dl. We have found 1.04% have severe type low urinary iodine, 3.48% moderate type of low urinary iodine, 3.48%, 16.72% mild type of low urinary iodine and 78.74% have normal

  13. Adsorption of amino acids by fullerenes and fullerene nanowhiskers

    Science.gov (United States)

    Hashizume, Hideo; Hirata, Chika; Fujii, Kazuko; Miyazawa, Kun'ichi

    2015-12-01

    We have investigated the adsorption of some amino acids and an oligopeptide by fullerene (C60) and fullerene nanowhiskers (FNWs). C60 and FNWs hardly adsorbed amino acids. Most of the amino acids used have a hydrophobic side chain. Ala and Val, with an alkyl chain, were not adsorbed by the C60 or FNWs. Trp, Phe and Pro, with a cyclic structure, were not adsorbed by them either. The aromatic group of C60 did not interact with the side chain. The carboxyl or amino group, with the frame structure of an amino acid, has a positive or negative charge in solution. It is likely that the C60 and FNWs would not prefer the charged carboxyl or amino group. Tri-Ala was adsorbed slightly by the C60 and FNWs. The carboxyl or amino group is not close to the center of the methyl group of Tri-Ala. One of the methyl groups in Tri-Ala would interact with the aromatic structure of the C60 and FNWs. We compared our results with the theoretical interaction of 20 bio-amino acids with C60. The theoretical simulations showed the bonding distance between C60 and an amino acid and the dissociation energy. The dissociation energy was shown to increase in the order, Val changed a little by C60. In our study Try and Tyr were hardly adsorbed by C60 and FNWs. These amino acids did not show a different adsorption behavior compared with other amino acids. The adsorptive behavior of mono-amino acids might be different from that of polypeptides.

  14. Activation energies for iodine-exchange systems containing organic iodine compounds

    Energy Technology Data Exchange (ETDEWEB)

    Ikeda, N. (Takyo Univ. of Education (Japan). Faculty of Science) Takahashi, Yasuko

    1976-01-01

    In studies on the nonequilibrium isotopic exchange method for determining iodine in organic iodine compounds, activation energies have been measured to find systems having appropriate rate of exchange reactions. Activation energies are discussed by considering the effect of the structure of organic iodine compounds, the concentrations of reactants and solvent, etc. In homogeneous systems, activation energy is found to become larger in the order of CH/sub 3/Iiodine ratio between I/sub 2/ and organic iodine is a predominant factor in determining the rate of the exchange reaction.

  15. Iodine filters in nuclear power stations

    International Nuclear Information System (INIS)

    Wilhelm, J.G.

    1977-04-01

    On the basis of calculated and recorded release rates of nuclear power plants, the significance of iodine releases in the invironmental impact relative to other nuclides is discussed. The release pathways for iodine in LWR-type reactors and the efficiency of various methods to lower the activity release are given. The airborne species of iodine are discussed with regard to their removal in iodine sorption filters and environmental impact. The technical status of iodine removal by means of iodine sorption filters is studied for normal operation and accident conditions in nuclear power stations on the basis of the data given in the relevant literature for the efficiency of a number of iodine sorption materials. The applicability of concepts for ventilation and containment and their influence on iodine filter systems are discussed. Design, structure, and testing of iodine sorption filters are treated in detail; recommendations for design are given, and failure sources are mentioned. (orig.) [de

  16. Iodine Satellite

    Science.gov (United States)

    Kamhawi, Hani; Dankanich, John; Martinez, Andres; Petro, Andrew

    2015-01-01

    The Iodine Satellite (iSat) spacecraft will be the first CubeSat to demonstrate high change in velocity from a primary propulsion system by using Hall thruster technology and iodine as a propellant. The mission will demonstrate CubeSat maneuverability, including plane change, altitude change and change in its closest approach to Earth to ensure atmospheric reentry in less than 90 days. The mission is planned for launch in fall 2017. Hall thruster technology is a type of electric propulsion. Electric propulsion uses electricity, typically from solar panels, to accelerate the propellant. Electric propulsion can accelerate propellant to 10 times higher velocities than traditional chemical propulsion systems, which significantly increases fuel efficiency. To enable the success of the propulsion subsystem, iSat will also demonstrate power management and thermal control capabilities well beyond the current state-of-the-art for spacecraft of its size. This technology is a viable primary propulsion system that can be used on small satellites ranging from about 22 pounds (10 kilograms) to more than 1,000 pounds (450 kilograms). iSat's fuel efficiency is ten times greater and its propulsion per volume is 100 times greater than current cold-gas systems and three times better than the same system operating on xenon. iSat's iodine propulsion system consists of a 200 watt (W) Hall thruster, a cathode, a tank to store solid iodine, a power processing unit (PPU) and the feed system to supply the iodine. This propulsion system is based on a 200 W Hall thruster developed by Busek Co. Inc., which was previously flown using xenon as the propellant. Several improvements have been made to the original system to include a compact PPU, targeting greater than 80 percent reduction in mass and volume of conventional PPU designs. The cathode technology is planned to enable heaterless cathode conditioning, significantly increasing total system efficiency. The feed system has been designed to

  17. Hydrogen-Induced Adsorption of Carbon Monoxide on the Gold Dimer Cation: A Joint Experimental and DFT Investigation.

    Science.gov (United States)

    Vojkovic, Marin; Rayane, Driss; Antoine, Rodolphe; Broyer, Michel; Allouche, Abdul-Rahman; Mignon, Pierre; Dugourd, Philippe

    2017-06-15

    It is demonstrated, using tandem mass spectrometry and radio frequency ion trap, that the adsorption of a H atom on the gold dimer cation, Au 2 H + , prevents its dissociation and allows for adsorption of CO. Reaction kinetics are measured by employing a radio frequency ion trap, where Au 2 + and CO interact for a given reaction time. The effect of a hydrogen atom is evaluated by comparing reaction rate constants measured for Au 2 + and Au 2 H + . The theoretical results for the adsorption of CO molecules and their reaction characteristics with Au 2 + and Au 2 H + are found to agree with the experimental findings. The joint investigations provide insights into hydrogen atom adsorption effects and consequent reaction mechanisms.

  18. Controlled swelling and adsorption properties of polyacrylate/montmorillonite composites

    Energy Technology Data Exchange (ETDEWEB)

    Natkanski, Piotr [Faculty of Chemistry, Jagiellonian University, Ingardena 3, 30-060 Krakow (Poland); Kustrowski, Piotr, E-mail: kustrows@chemia.uj.edu.pl [Faculty of Chemistry, Jagiellonian University, Ingardena 3, 30-060 Krakow (Poland); Bialas, Anna; Piwowarska, Zofia [Faculty of Chemistry, Jagiellonian University, Ingardena 3, 30-060 Krakow (Poland); Michalik, Marek [Institute of Geological Sciences, Jagiellonian University, Oleandry 2a, 30-063 Krakow (Poland)

    2012-10-15

    A series of novel polyacrylate/montmorillonite composites was synthesized by in situ polymerization in aqueous slurry of clay. Dissociated (obtained by adding ammonium or sodium hydroxide) and undissociated forms of acrylic acid were used as monomers in the hydrogel synthesis. The structure and composition of the samples were studied by powder X-ray diffraction, diffuse reflectance infra-red Fourier transform spectroscopy, thermogravimetry and elemental analysis. It has been found that the kind of monomer influences strongly the location of a polymer chain in the formed composite. Complete intercalation of hydrogel into the interlayer space of montmorillonite was observed for sodium polyacrylate, whereas polyacrylic acid and ammonium polyacrylate mainly occupied the outer surface of the clay. The position of hydrogel determined the swelling and adsorption properties of the studied composites. The important factor influencing the kinetics of Fe(III) cation adsorption was pH. The analysis of adsorption isotherms allowed to propose the mechanism of Fe(III) cation adsorption. Highlights: Black-Right-Pointing-Pointer Polyacrylate hydrogels can be introduced into the interlayers of clay. Black-Right-Pointing-Pointer The position of hydrogel in the composite depends on the polymer type. Black-Right-Pointing-Pointer Ammonium polyacrylate places outside the clay, sodium one is intercalated into it. Black-Right-Pointing-Pointer Swelling and adsorption capacities can be controlled by the polymer position. Black-Right-Pointing-Pointer High adsorption efficiency in Fe(III) removal was observed.

  19. Long-term migration of iodine in sedimentary rocks based on iodine speciation and 129I/127I ratio

    Science.gov (United States)

    Togo, Y.; Takahashi, Y.; Amano, Y.; Matsuzaki, H.; Suzuki, Y.; Muramatsu, Y.; Iwatsuki, T.

    2012-12-01

    [Introduction] 129I is one of the available indexes of long-term migration of groundwater solutes, because of its long half-life (15.7 million years) and low sorption characteristics. The Horonobe underground research center (Japan Atomic Energy Agency), at which are conducted research and development of fundamental techniques on geological disposal of high-level radioactive waste, is an appropriate site for natural analogue studies, because iodine concentration in groundwater is high in this area. To predict iodine behavior in natural systems, speciation of iodine is essential because of different mobility among each species. In this study, we determined iodine speciation and129I/127I isotope ratios of rock and groundwater samples to investigate long term migration of iodine. [Methods] All rock and groundwater samples were collected at Horonobe underground research center. The region is underlain mainly by Neogene to Quaternary marine sedimentary rocks, the Wakkanai Formation (Wk Fm, siliceous mudstones), and the overlying Koetoi Formation (Kt Fm, diatomaceous mudstones). Iodine species in rock samples were determined by iodine K-edge X-ray absorption near edge structure (SPring-8 BL01B1). Thin sections of rock samples were prepared, and iodine mapping were obtained by micro-XRF analysis (SPring-8 BL37XU). Iodine species (IO3-, I-, and organic I) in groundwater were separately detected by high performance liquid chromatography connected to ICP-MS. The 129I/127I ratios in groundwater and rock samples were measured by accelerator mass spectrometry (MALT, Univ. of Tokyo). Iodine in rock samples were separated by pyrohydrolysis and water extraction. [Results and discussion] Concentration of iodine in groundwater varied widely and was much higher than that of seawater showing a high correlation with that of chlorine (R2 = 0.90). Species of iodine in groundwater was mainly I-. Iodine in rock samples decreased near the boundary between Wk and Kt Fms. Iodine K-edge XANES

  20. Serum thyroglobulin and urinary iodine concentration are the most appropriate indicators of iodine status and thyroid function under conditions of increasing iodine supply in schoolchildren in Benin

    NARCIS (Netherlands)

    van den Briel, T.; West, C. E.; Hautvast, J. G.; Vulsma, T.; de Vijlder, J. J.; Ategbo, E. A.

    2001-01-01

    Iodine deficiency control programs have greatly reduced iodine deficiency disorders worldwide. For monitoring changes in iodine status, different indicators may be used. The aim of this study was to evaluate the suitability of indicators of iodine status and thyroid function, thyroglobulin (Tg),

  1. Retrospective reconstruction of Iodine-131 distribution through the analysis of Iodine-129

    Science.gov (United States)

    Matsuzaki, Hiroyuki; Muramatsu, Yasuyuki; Ohno, Takeshi; Mao, Wei

    2017-09-01

    Iodine-131 distribution released from the Fukushima Dai-ichi Nuclear Power Plant accident was reconstructed through the iodine-129 measurements. From nearly 1,000 surface soil samples iodine was extracted by the pyro hydrolysis method. Extracted iodine was then mixed with carrier, purified and finally collected as silver iodide. Silver iodide sample was pressed into the cathode holder and set at the ion source of the MALT facility, The University of Tokyo. The isotopic ratio 129I/127I was measured by means of Accelerator Mass Spectrometry. From 129I data obtained, 131I deposition map was constructed. There observed various fine structures in the map which could not estimated neither by the simulation nor 137Cs distribution.

  2. Adsorption of CO, CO2, H2, and H2O on titania surfaces with different oxidation states

    International Nuclear Information System (INIS)

    Raupp, G.B.; Dumesic, J.A.

    1985-01-01

    The adsorptive properties of titania surfaces with different oxidation states were proved by temperature-programmed desorption (TPD) of CO, H 2 , CO 2 , and H 2 O. Auger electron spectroscopy and X-ray photoelectron spectroscopy revealed that vacuum annealing an oxidized titanium foil at temperatures from 300 to 800 K was an effective means of systematically varying the average surface oxidation state from Ti 4+ to Ti 2+ . Carbon monoxide weakly adsorbed (desorption energy of 44-49 kJ x mol -1 ) in a carbonyl fashion on coordinatively unsaturated cation sites. Titania surfaces were inert with respect to H 2 adsorption and dissociation. Carbon dioxide adsorbed in a linear molecular fashion. Water adsorbed both molecularly and dissociatively. Results are discussed in terms of the role of titania oxidation state in CO hydrogenation over titania-supported metal catalysts. 74 references, 7 figures

  3. Thyroid disorders in mild iodine deficiency

    DEFF Research Database (Denmark)

    Laurberg, P; Nøhr, S B; Pedersen, K M

    2000-01-01

    Comparative epidemiologic studies in areas with low and high iodine intake and controlled studies of iodine supplementation have demonstrated that the major consequence of mild-to-moderate iodine deficiency for the health of the population is an extraordinarily high occurrence of hyperthyroidism...... endangered but the consequences of severe iodine deficiency for brain development are grave and a considerable safety margin is advisable. Moreover, a shift toward less malignant types of thyroid cancer and a lower radiation dose to the thyroid in case of nuclear fallout support that mild-to-moderate iodine...... deficiency should be corrected. However, there is evidence that a high iodine intake may be associated with more autoimmune hypothyroidism, and that Graves' disease may manifest at a younger age and be more difficult to treat. Hence, the iodine intake should be brought to a level at which iodine deficiency...

  4. Biofortification of lettuce (Lactuca sativa L.) with iodine: the effect of iodine form and concentration in the nutrient solution on growth, development and iodine uptake of lettuce grown in water culture.

    Science.gov (United States)

    Voogt, Wim; Holwerda, Harmen T; Khodabaks, Rashied

    2010-04-15

    Iodine is an essential trace element for humans. Two billion individuals have insufficient iodine intake. Biofortification of vegetables with iodine offers an excellent opportunity to increase iodine intake by humans. The main aim was to study the effect of iodine form and concentration in the nutrient solution on growth, development and iodine uptake of lettuce, grown in water culture. In both a winter and summer trial, dose rates of 0, 13, 39, 65, and 90 or 129 microg iodine L(-1), applied as iodate (IO(3)(-)) or iodide (I(-)), did not affect plant biomass, produce quality or water uptake. Increases in iodine concentration significantly enhanced iodine content in the plant. Iodine contents in plant tissue were up to five times higher with I(-) than with IO(3)(-). Iodine was mainly distributed to the outer leaves. The highest iodide dose rates in both trials resulted in 653 and 764 microg iodine kg(-1) total leaf fresh weight. Biofortification of lettuce with iodine is easily applicable in a hydroponic growing system, both with I(-) and IO(3)(-). I(-) was more effective than IO(3)(-). Fifty grams of iodine-biofortified lettuce would provide, respectively, 22% and 25% of the recommended daily allowance of iodine for adolescents and adults. (c) 2010 Society of Chemical Industry.

  5. Water dissociation on Ni(100) and Ni(111): Effect of surface temperature on reactivity

    International Nuclear Information System (INIS)

    Seenivasan, H.; Tiwari, Ashwani K.

    2013-01-01

    Water adsorption and dissociation on Ni(100) and Ni(111) surfaces are studied using density functional theory calculations. Water adsorbs on top site on both the surfaces, while H and OH adsorb on four fold hollow and three fold hollow (fcc) sites on Ni(100) and Ni(111), respectively. Transition states (TS) on both surfaces are identified using climbing image-nudged elastic band method. It is found that the barrier to dissociation on Ni(100) surface is slightly lower than that on Ni(111) surface. Dissociation on both the surfaces is exothermic, while the exothermicity on Ni(100) is large. To study the effect of lattice motion on the energy barrier, TS calculations are performed for various values of Q (lattice atom coordinate along the surface normal) and the change in the barrier height and position is determined. Calculations show that the energy barrier to reaction decreases with increasing Q and increases with decreasing Q on both the surfaces. Dissociation probability values at different surface temperatures are computed using semi-classical approximation. Results show that the influence of surface temperature on dissociation probability on the Ni(100) is significantly larger compared to that of Ni(111). Moreover, on Ni(100), a dramatic shift in energy barrier to lower incident energy values is observed with increasing surface temperature, while the shift is smaller in the case of Ni(111)

  6. Assessing iodine intake, iodine status, and the effects of maternal iodine supplementation: introduction to articles arising from 3 workshops held by the NIH Office of Dietary Supplements12

    Science.gov (United States)

    Ershow, Abby G; Coates, Paul M; Swanson, Christine A

    2016-01-01

    The NIH Office of Dietary Supplements (ODS) convened 3 workshops on iodine nutrition in 2014, each held in Rockville, Maryland. These workshops were part of the ongoing ODS Iodine Initiative, begun in 2011 in response to concerns that US pregnant women may be at risk of iodine deficiency and that a high fraction of prenatal dietary supplements do not contain the recommended amounts of iodine. The primary purpose of the workshops was to consider the data and resources necessary to evaluate the clinical and public health benefits and risks of maternal iodine supplementation in the United States. The first workshop focused on the assessment of iodine intake, the second focused on the assessment of iodine status, and the third focused on the design and interpretation of clinical trials of maternal iodine supplementation. Here we provide the background of the ODS Iodine Initiative, summarize the 3 workshops held in 2014, and introduce the articles that arose from the workshops and are published in this supplement issue. PMID:27534646

  7. Dietary Iodine Intake of the Australian Population after Introduction of a Mandatory Iodine Fortification Programme

    Directory of Open Access Journals (Sweden)

    Karen Charlton

    2016-11-01

    Full Text Available To address mild iodine deficiency in Australia, a mandatory fortification program of iodised salt in bread was implemented in 2009. This study aimed to determine factors associated with achieving an adequate dietary iodine intake in the Australian population post-fortification, and to assess whether bread consumption patterns affect iodine intake in high-risk groups. Using nationally representative data of repeated 24-h dietary recalls from the 2011–2012 Australian National Nutrition and Physical Activity Survey, dietary iodine intakes and food group contributions were compared by age, socioeconomic status (SES, and geographical remoteness (N = 7735. The association between fortified bread intake and adequacy of iodine intake (meeting age and sex-specific Estimated Average Requirements was investigated using logistic regression models in women of childbearing age 14–50 years (n = 3496 and children aged 2–18 years (n = 1772. The effect of SES on bread consumption was further investigated in a sub group of children aged 5–9 years (n = 488. Main sources of iodine intake at the time of the survey were cereal and cereal products, followed by milk products and dishes. Differences in iodine intake and dietary iodine habits according to age, SES and location were found (p < 0.001 for women of child-bearing age. Fortified bread consumption at ≥100 g/day was associated with five times greater odds of achieving an adequate iodine intake (OR 5.0, 95% CI 4.96–5.13; p < 0.001 compared to lower bread consumption in women and 12 times in children (OR 12.34, 95% CI 1.71–89.26; p < 0.001. Disparities in dietary iodine intake exist within sectors of the Australian population, even after mandatory fortification of a staple food. On-going monitoring and surveillance of iodine status is required.

  8. Iodine-deficiency disorders

    NARCIS (Netherlands)

    Zimmermann, M.B.; Jooste, P.L.; Pandav, C.S.

    2008-01-01

    billion individuals worldwide have insufficient iodine intake, with those in south Asia and sub-Saharan Africa particularly affected. Iodine deficiency has many adverse effects on growth and development. These effects are due to inadequate production of thyroid hormone and are termed

  9. Radioactive iodine absorbing properties of tetrathiafulvalene

    Energy Technology Data Exchange (ETDEWEB)

    Ito, Tomiyasu; Nakamura, Asao (Ajinomoto Co. Inc., Kawasaki, Kanagawa (Japan). Central Research Labs.); Nogawa, Norio; Oohashi, Kunio; Morikawa, Naotake

    1989-05-01

    For the purpose of searching some effective absorbents of gaseous radioactive iodine, 16 substances considered as having an affinity for iodine were investigated with regular iodine and /sup 125/I. In a preliminary survey, only tetrathiafulvalene (TTF) was found to have satisfactory absorbing properties comparable to activated charcoal. A further detailed comparison of the properties between TTF and activated charcoal led us to the conclusion that the former has more preferable properties as absorbent of radioactive iodine than the latter in all points studied. The results are summarized as follows: (1) The absorption of iodine on TTF in atmosphere was about twice as much as that on activated charcoal. Desorption of iodine from saturatedly absorbed iodine on TTF was practically negligible except trace amount of initial desorption, while that on activated charcoal was considerable (3%/50h) even in the air at room temperature. (2) Absorbed amount of iodine on activated charcoal decreased with increasing gaseous iodine concentration, air flow rate, on humidity of flowing-air. On the other hand, those factors scarcely affected that on TTF. Under an air flow rate of 1m/s, activated charcoal absorbs only 80% of iodine, while TTF absorbs more than 99%. (3) In flowing-air saturated with water vapor, iodine absorbed on activated charcoal was gradually liberated although by small amount (0.08%/100h), while that on TTF was much more stable for a long period (0.004%/100h). As a conclusion, TTF is considered to be useful as a quite effective radioactive iodine absorbent, especially in the case where protection from radioactive iodine should be serious, though it is expensive now. (author).

  10. Radioactive iodine absorbing properties of tetrathiafulvalene

    International Nuclear Information System (INIS)

    Ito, Tomiyasu; Nakamura, Asao; Nogawa, Norio; Oohashi, Kunio; Morikawa, Naotake.

    1989-01-01

    For the purpose of searching some effective absorbents of gaseous radioactive iodine, 16 substances considered as having an affinity for iodine were investigated with regular iodine and 125 I. In a preliminary survey, only tetrathiafulvalene (TTF) was found to have satisfactory absorbing properties comparable to activated charcoal. A further detailed comparison of the properties between TTF and activated charcoal led us to the conclusion that the former has more preferable properties as absorbent of radioactive iodine than the latter in all points studied. The results are summarized as follows: (1) The absorption of iodine on TTF in atmosphere was about twice as much as that on activated charcoal. Desorption of iodine from saturatedly absorbed iodine on TTF was practically negligible except trace amount of initial desorption, while that on activated charcoal was considerable (3%/50h) even in the air at room temperature. (2) Absorbed amount of iodine on activated charcoal decreased with increasing gaseous iodine concentration, air flow rate, on humidity of flowing-air. On the other hand, those factors scarcely affected that on TTF. Under an air flow rate of 1m/s, activated charcoal absorbs only 80% of iodine, while TTF absorbs more than 99%. (3) In flowing-air saturated with water vapor, iodine absorbed on activated charcoal was gradually liberated although by small amount (0.08%/100h), while that on TTF was much more stable for a long period (0.004%/100h). As a conclusion, TTF is considered to be useful as a quite effective radioactive iodine absorbent, especially in the case where protection from radioactive iodine should be serious, though it is expensive now. (author)

  11. Off-gas adsorption model and simulation - OSPREY

    Energy Technology Data Exchange (ETDEWEB)

    Rutledge, V.J. [Idaho National Laboratory, P. O. Box 1625, Idaho Falls, ID (United States)

    2013-07-01

    A capability of accurately simulating the dynamic behavior of advanced fuel cycle separation processes is expected to provide substantial cost savings and many technical benefits. To support this capability, a modeling effort focused on the off-gas treatment system of a used nuclear fuel recycling facility is in progress. The off-gas separation consists of a series of scrubbers and adsorption beds to capture constituents of interest. Dynamic models are being developed to simulate each unit operation involved so each unit operation can be used as a stand-alone model and in series with multiple others. Currently, an adsorption model has been developed within Multi-physics Object Oriented Simulation Environment (MOOSE) developed at the Idaho National Laboratory (INL). Off-gas Separation and Recovery (OSPREY) models the adsorption of offgas constituents for dispersed plug flow in a packed bed under non-isothermal and non-isobaric conditions. Inputs to the model include gas composition, sorbent and column properties, equilibrium and kinetic data, and inlet conditions. The simulation outputs component concentrations along the column length as a function of time from which breakthrough data can be obtained. The breakthrough data can be used to determine bed capacity, which in turn can be used to size columns. In addition to concentration data, the model predicts temperature along the column length as a function of time and pressure drop along the column length. A description of the OSPREY model, results from krypton adsorption modeling and plans for modeling the behavior of iodine, xenon, and tritium will be discussed. (author)

  12. A theoretical study of CH4 dissociation on pure and gold-alloyed Ni(111) surfaces

    DEFF Research Database (Denmark)

    Kratzer, P.; Hammer, Bjørk; Nørskov, Jens Kehlet

    1996-01-01

    We present a density functional theory study of the first step of CH4 adsorption on the Ni(111) surface, dissociation into adsorbed CH3 and H. The rupture of the C-H bond occurs preferentially on top of a Ni atom, with a dissociation barrier of about 100 kJ/mol (including zero point corrections......). The transition state involves considerable internal excitation of the molecule. The active C-H bond is both stretched to 1.6 Angstrom and tilted relative to the methyl group. A normal mode analysis shows that the reaction coordinate is mainly a C-H stretch, while the orientation of the C-H bond relative...... to the surface is responsible for the highest real mode. Alloying the surface with gold also affects the reactivity of the Ni atoms on adjacent surface sites. The dissociation barrier is increased by 16 and 38 kJ/mol for a Ni atom with one or two gold neighbors, respectively. We attribute these changes...

  13. Single and competitive adsorption of OMPs by carbon nanotubes - mechanism and fitting models

    Science.gov (United States)

    Kamińska, Gabriela; Dudziak, Mariusz; Bohdziewicz, Jolanta; Kudlek, Edyta

    2017-11-01

    The adsorption of three organic micropollutants (diclofenac - DFN, pentachlorophenol - PCP and octylphenol - OP) on two kinds of carbon nanotubes (single walled carbon nanotubes - SWCNT and single walled carbon nanotubes with amine group - SWCNT-NH2) was investigated, in single and bicomponent solution at pH 5. SWCNT-NH2 had three times lower specific surface area than SWCNT. Significant differences were observed in sorption capacity of SWCNT and SWCNT-NH2 for given chemicals. The sorption uptake changes in the following order: OP > PCP > DFN for SWCNT and DFN > PCP > OP for SWCNT-NH2. A few times higher adsorption of OP on SWCNT came from low OP solubility in water in comparison to PCP and DFN. While, higher adsorption of DFN and PCP on SWCNT-NH2 was a result of electrostatic attraction between dissociated form of these chemicals and positively charged SWCNT-NH2 at pH 5. In adsorption from bicomponent solution, significant competition was observed between PCP and DFN due to similar adsorption mechanism on SWCNT-NH2. Opposite tendency was observed for SWCNT, DFN did not greatly affect adsorption of PCP and OP since they were very easily absorbable by sigma-sigma interaction.

  14. Thyroid disorders in mild iodine deficiency.

    Science.gov (United States)

    Laurberg, P; Nøhr, S B; Pedersen, K M; Hreidarsson, A B; Andersen, S; Bülow Pedersen, I; Knudsen, N; Perrild, H; Jørgensen, T; Ovesen, L

    2000-11-01

    Comparative epidemiologic studies in areas with low and high iodine intake and controlled studies of iodine supplementation have demonstrated that the major consequence of mild-to-moderate iodine deficiency for the health of the population is an extraordinarily high occurrence of hyperthyroidism in elderly subjects, especially women, with risk of cardiac arrhythmias, osteoporosis, and muscle wasting. The hyperthyroidism is caused by autonomous nodular growth and function of the thyroid gland and it is accompanied by a high frequency of goiter. Pregnant women and small children are not immediately endangered but the consequences of severe iodine deficiency for brain development are grave and a considerable safety margin is advisable. Moreover, a shift toward less malignant types of thyroid cancer and a lower radiation dose to the thyroid in case of nuclear fallout support that mild-to-moderate iodine deficiency should be corrected. However, there is evidence that a high iodine intake may be associated with more autoimmune hypothyroidism, and that Graves' disease may manifest at a younger age and be more difficult to treat. Hence, the iodine intake should be brought to a level at which iodine deficiency disorders are avoided but not higher. Iodine supplementation programs should aim at relatively uniform iodine intake, avoiding deficient or excessive iodine intake in subpopulations. To adopt such a strategy, surveillance programs are needed.

  15. Iodine kinetics and effectiveness of stable iodine prophylaxis after intake of radioiodine: a review

    International Nuclear Information System (INIS)

    Geoffroy, B.; Verger, P.; Le Guen, B.

    2000-01-01

    Ingestion of stable iodine (potassium iodide) offers an efficient protection against the irradiation of the thyroid when an accidental exposure to radioiodine occurs. This prophylaxis aims at obtaining a rapid and maximum thyroid protection without antithyroid effects. This article reviews studies on iodine kinetics in the human and on stable iodine effectiveness to protect the thyroid. In adults with a normal thyroid function, ingestion of 100 mg of iodide just before exposure to radioiodine allows a percentage of thyroid averted dose equal or greater than 95%. If the exposure persists after iodide ingestion (100 mg), the percentage of averted dose may decrease significantly. Repeated ingestion of daily amounts of 15 mg of stable iodine would then allow to maintain a 90% effectiveness. Iodide effectiveness and antithyroid effects also depend on external and individual factors such as iodine amounts in the diet, thyroid function and age. It is recommended to adapt the amount of ingested stable iodine according to age at the time of exposure. (author)

  16. DFT study on stability and H2 adsorption activity of bimetallic Au79−nPdn (n = 1–55) clusters

    International Nuclear Information System (INIS)

    Liu, Xuejing; Tian, Dongxu; Meng, Changgong

    2013-01-01

    Highlights: ► Stability of Pd substitution type is face > mid-edge > corner > edge. ► H 2 adsorption activity is in contrast with the stability of Pd substitution type. ► Non-activated dissociation of H 2 occurs in Au 36 Pd 43−3 with high thermal stability. ► ε d agrees with that Pd at edge and corner are more active than face and mid-edge. - Abstract: The stability and H 2 adsorption activity of bimetallic Au 79−n Pd n (n = 1–55) clusters were studied by density functional theory with GGA-PW91 functional. The stability order for four Pd substitution types is face > mid-edge > corner > edge, and the stability is improved with increasing Pd content. In contrast with the stability order, H 2 adsorption activity is corner ≈ edge > mid-edge > face. The Au 36 Pd 43 (3) with Au:Pd ≈ 1:1 ratio and twenty-four Pd substitutions at (1 1 1) facets and nineteen Pd substitutions at subshell sites shows high stability and H 2 non-activated dissociation activity. The partial density of d-states and d band center revealed that the electronic properties are closely associated with the geometric characteristic and adsorption activity. Correlating the d band center ε d and the adsorption energies, the ε d order agrees with the adsorption activity that the Pd substitution at edge and corner sites are more active than at face and mid-edge sites

  17. Iodine oxides in large-scale THAI tests

    International Nuclear Information System (INIS)

    Funke, F.; Langrock, G.; Kanzleiter, T.; Poss, G.; Fischer, K.; Kühnel, A.; Weber, G.; Allelein, H.-J.

    2012-01-01

    Highlights: ► Iodine oxide particles were produced from gaseous iodine and ozone. ► Ozone replaced the effect of ionizing radiation in the large-scale THAI facility. ► The mean diameter of the iodine oxide particles was about 0.35 μm. ► Particle formation was faster than the chemical reaction between iodine and ozone. ► Deposition of iodine oxide particles was slow in the absence of other aerosols. - Abstract: The conversion of gaseous molecular iodine into iodine oxide aerosols has significant relevance in the understanding of the fission product iodine volatility in a LWR containment during severe accidents. In containment, the high radiation field caused by fission products released from the reactor core induces radiolytic oxidation into iodine oxides. To study the characteristics and the behaviour of iodine oxides in large scale, two THAI tests Iod-13 and Iod-14 were performed, simulating radiolytic oxidation of molecular iodine by reaction of iodine with ozone, with ozone injected from an ozone generator. The observed iodine oxides form submicron particles with mean volume-related diameters of about 0.35 μm and show low deposition rates in the THAI tests performed in the absence of other nuclear aerosols. Formation of iodine aerosols from gaseous precursors iodine and ozone is fast as compared to their chemical interaction. The current approach in empirical iodine containment behaviour models in severe accidents, including the radiolytic production of I 2 -oxidizing agents followed by the I 2 oxidation itself, is confirmed by these THAI tests.

  18. Prophylactic iodine treatment in radiation protection

    International Nuclear Information System (INIS)

    Oberhausen, E.

    1980-01-01

    Prophylactic iodine treatment is to prevent accumulation of radioactive iodine in the thyroid. This is done by administering a large amount of stable iodine before uptake of radioactive iodine so that further accummulation of iodine in the thyroid will be impossible. This blocking effect should be as complete as possible. This is achieved by administering an initial dose of 200 mg potassium iodide. As the release of radioactive iodine may last several hours or even days; for this reason, maintenance doses of 100 mg potassium iodide should be administered in 8-hour intervals. The risk of prophylactiv iodine treatment is rather low; however, provocation of latent hyperthyreoses must be expected in, at the most, 0.2% of the exposed population. (orig./MG) [de

  19. Iodine excretion in school children in Copenhagen

    DEFF Research Database (Denmark)

    Rasmussen, Lone B.; Kirkegaard-Klitbo, Ditte Marie; Laurberg, Peter

    2016-01-01

    INTRODUCTION: Studies of dietary habits show a high iodine intake in children in Denmark. Iodine excretion in children has not previously been assessed. Iodine excretion in adults is below the recommended threshold, and it is therefore being discussed to increase the fortification level. The main...... objective of this study was to assess iodine excretion in children living in Copenhagen to establish whether a moderate increase in iodine fortification would lead to excess iodine intake in this group. METHODS: Children in first and fifth grade were recruited through schools in Copenhagen. In total, 244...... children de-ivered a urine sample. Urine samples were analysed for iodine and creatinine, and the results were expressed as urinary iodine concentration (UIC) and as estimated 24-h iodine excretion. Iodine excretion in children was also compared with that of adults living in the same area, investigated...

  20. Role of nonlocal exchange correlation in activated adsorption

    DEFF Research Database (Denmark)

    Hammer, Bjørk; Jacobsen, Karsten Wedel; Nørskov, Jens Kehlet

    1993-01-01

    The barrier for dissociative adsorption of H-2 on Al(110) has been calculated within the generalized gradient approximation. A pronounced increase of the barrier height is found compared with what is calculated in the local density approximation (LDA). The apparent LDA underestimation...... of the barrier height is shown to be intimately linked with the LDA underbinding of core electrons and we suggest it to be a general phenomenon not limited to the particular nonlocal exchange-correlation approximation used or the particular system studied....

  1. Values of iodine metabolism biomarkers in assessing the iodine nutrition status in surgically treated patients with thyroid disease.

    Science.gov (United States)

    Han, Jian-hua; Wu, Lian; Yu, Song-lin; Fang, Hui-ling; Kamg, Wei-ming; Cheng, Xin-qi; Lu, Jie; Yu, Jian-chun; Qiu, Ling

    2015-04-01

    To assess the clinical application value of iodine metabolism biomarkers in assessing iodine nutrition status in surgically treated patients with thyroid disease. Blood,morning urine and 24-hour urine samples were collected in 31 healthy volunteers and in 30 surgically treated patients with thyroid disease before and after surgery. Iodine concentration was analyzed by inductively coupled plasma mass spectrometry. The iodine metabolism biomarkers including serum iodine (SI), morning urine iodine(UI), morning urine iodine/urine creatinine ratio (UI/UCr), 24-hour urine iodine (24 h UI), and 24-hour urine iodine excretion (24 h UIE) were evaluated in these two groups. In addition, the validation coincidence rate of iodine metabolism biomarkers in healthy volunteers to different reference ranges including World Health Organization, Mayo Clinic, and Quest Diagnostics were calculated. The UI/UCr ratio of pre-operative thyroid disease patients was significantly lower than that of healthy volunteers (P0.05) between these two groups. The SI, UI ,and 24 h UI in postoperative thyroid disease patients were significantly higher than those of the pre-operative patients (all Piodine metabolism biomarkers. The UI/UCr ratio may be used for iodine nutrition evaluation in surgically treated patients with thyroid disease.

  2. Longitudinal study of iodine in toenails following IV administration of an iodine-containing contrast agent

    International Nuclear Information System (INIS)

    Spate, V.L.; Morris, J.S.; Nichols, T.A.; Baskett, C.K.; Mason, M.M.; Horsman, T.L.; McDougall, I.R.

    1998-01-01

    The literature on the relationship between diet and thyroid cancer (TC) risk and the higher incidence of TC among Asian immigrants to the US compared to second and third generation subgroups has prompted epidemiologists to hypothesize that increased levels of iodine consumption may be associated with TC risk, particularly among persons with a history of clinical or subclinical thyroid dysfunction. At the University of Missouri Research Reactor (MURR), we have applied epiboron neutron activation analysis to investigate human nails as a dietary monitor for iodine. Preliminary studies have indicated a positive correlation between dietary iodine intake and the concentration of iodine in toenails. However, these studies are confounded by high iodine levels (up to 30 ppm) in approximately 5% of the nails studied. We hypothesize that, in the subjects we have studied, the high iodine levels may be due to iodine-containing medications, in particular contrast-agents containing iopamidol. This paper will report on longitudinal studies using contrast agent subjects who where followed-up for almost two years compared to a longitudinal control and a population mean. Based on this study, we suggest that iodine-containing contrast agents contaminate nail samples via non-specific binding in the short term followed by incorporation in the nail as a result of absorption. (author)

  3. The speciation of iodine in the environment

    International Nuclear Information System (INIS)

    Bulman, R.A.

    1986-01-01

    The speciation of iodine in the environment is discussed under the following topics: (i) sea surface to atmosphere, (ii) chemistry in bulk seawater, (iii) iodine in rocks, (iv) iodine in soils, (v) iodine in plants and (vi) iodine in solidified wastes. (author)

  4. Iodine deficiency in pregnancy in Denmark. Regional variations and frequency of individual iodine supplementation

    DEFF Research Database (Denmark)

    Nøhr, S B; Laurberg, Peter; Børlum, K G

    1993-01-01

    Iodine requirements are increased during pregnancy and lactation and adequate iodine intake is important for normal brain development of the fetus/newborn child. The aim of the present study was to evaluate the extent to which this increase in iodine requirement is met in pregnant women living...... micrograms/g creatinine). These values are far below internationally recommended levels. The consequences remain to be evaluated and no firm recommendations can be given. It seems reasonable, however, to recommend a high intake of food containing iodine (e.g. milk products) during pregnancy and lactation...

  5. Iodine deficiency in pregnancy in Denmark. Regional variations and frequency of individual iodine supplementation

    DEFF Research Database (Denmark)

    Nøhr, S B; Laurberg, P; Børlum, K G

    1993-01-01

    micrograms/g creatinine). These values are far below internationally recommended levels. The consequences remain to be evaluated and no firm recommendations can be given. It seems reasonable, however, to recommend a high intake of food containing iodine (e.g. milk products) during pregnancy and lactation...... containing vitamin/mineral tablets. Approximately one third of the women had received tablets containing iodine. In women who had not received iodine supplementation urinary iodine was low with a median value of 39.7 micrograms/g creatinine (Aalborg 28, Randers 33, Ringkøbing 34, Arhus 43 and Copenhagen 62...

  6. Dissociative absorption: An empirically unique, clinically relevant, dissociative factor.

    Science.gov (United States)

    Soffer-Dudek, Nirit; Lassri, Dana; Soffer-Dudek, Nir; Shahar, Golan

    2015-11-01

    Research of dissociative absorption has raised two questions: (a) Is absorption a unique dissociative factor within a three-factor structure, or a part of one general dissociative factor? Even when three factors are found, the specificity of the absorption factor is questionable. (b) Is absorption implicated in psychopathology? Although commonly viewed as "non-clinical" dissociation, absorption was recently hypothesized to be specifically associated with obsessive-compulsive symptoms. To address these questions, we conducted exploratory and confirmatory factor analyses on 679 undergraduates. Analyses supported the three-factor model, and a "purified" absorption scale was extracted from the original inclusive absorption factor. The purified scale predicted several psychopathology scales. As hypothesized, absorption was a stronger predictor of obsessive-compulsive symptoms than of general psychopathology. In addition, absorption was the only dissociative scale that longitudinally predicted obsessive-compulsive symptoms. We conclude that absorption is a unique and clinically relevant dissociative tendency that is particularly meaningful to obsessive-compulsive symptoms. Copyright © 2015 Elsevier Inc. All rights reserved.

  7. Effect of iodine solutions on polyaniline films

    International Nuclear Information System (INIS)

    Ayad, M.M.; Amer, W.A.; Stejskal, J.

    2009-01-01

    Polyaniline (PANI) emeraldine-base films have been exposed to iodine solutions. The interaction between the films and the iodine solution was studied using the quartz-crystal microbalance (QCM) technique and the UV-visible absorption spectroscopy. The iodine-treated film of emeraldine base was subjected to dedoping process using 0.1 M ammonia solution. The resulting film was exposed again to the previously used iodine solution. Iodine was found to play multiple roles: the ring-iodination of PANI film, the oxidation of PANI to pernigraniline base, and iodine doping to PANI salt. A sensor based on PANI-coated electrode of QCM was developed to monitor the presence of iodine in solution.

  8. Improving COIL Efficiency By Iodine Pre-Dissociation Via Corona Discharge In The Transonic Section Of The Secondary Flow

    National Research Council Canada - National Science Library

    Rosenwaks, Zamik; Barmashenko, Boris

    2006-01-01

    ...: We intend to carry out a comprehensive experimental study of I2 pre-dissociation, based on applying corona discharge in the transonic section of the secondary flow in the COIL supersonic nozzle...

  9. Dissociative symptoms and dissociative disorder comorbidity in patients with obsessive-compulsive disorder.

    Science.gov (United States)

    Belli, Hasan; Ural, Cenk; Vardar, Melek Kanarya; Yesılyurt, Sema; Oncu, Fatıh

    2012-10-01

    The present study attempted to assess the dissociative symptoms and overall dissociative disorder comorbidity in patients with obsessive-compulsive disorder (OCD). In addition, we examined the relationship between the severity of obsessive-compulsive symptoms and dissociative symptoms. All patients admitted for the first time to the psychiatric outpatient unit were included in the study. Seventy-eight patients had been diagnosed as having OCD during the 2-year study period. Patients had to meet the Diagnostic and Statistical Manual of Mental Disorders, Fourth Edition criteria for OCD. Most (76.9%; n = 60) of the patients were female, and 23.1% (n = 18) of the patients were male. Dissociation Questionnaire was used to measure dissociative symptoms. The Structured Clinical Interview for Diagnostic and Statistical Manual of Mental Disorders, Fourth Edition Dissociative Disorders interviews and Yale-Brown Obsessive Compulsive Checklist and Severity Scale were used. Eleven (14%) of the patients with OCD had comorbid dissociative disorder. The most prevalent disorder in our study was dissociative depersonalization disorder. Dissociative amnesia and dissociative identity disorder were common as well. The mean Yale-Brown score was 23.37 ± 7.27 points. Dissociation Questionnaire scores were between 0.40 and 3.87 points, and the mean was 2.23 ± 0.76 points. There was a statistically significant positive correlation between Yale-Brown points and Dissociation Questionnaire points. We conclude that dissociative symptoms among patients with OCD should alert clinicians for the presence of a chronic and complex dissociative disorder. Clinicians may overlook an underlying dissociative process in patients who have severe symptoms of OCD. However, a lack of adequate response to cognitive-behavioral and drug therapy may be a consequence of dissociative process. Copyright © 2012 Elsevier Inc. All rights reserved.

  10. Adsorption characteristics of diclofenac and sulfamethoxazole to graphene oxide in aqueous solution.

    Science.gov (United States)

    Nam, Seung-Woo; Jung, Chanil; Li, Hang; Yu, Miao; Flora, Joseph R V; Boateng, Linkel K; Her, Namguk; Zoh, Kyung-Duk; Yoon, Yeomin

    2015-10-01

    The adsorptive properties of graphene oxide (GO) were characterized, and the binding energies of diclofenac (DCF) and sulfamethoxazole (SMX) on GO adsorption were predicted using molecular modeling. The adsorption behaviors of DCF and SMX were investigated in terms of GO dosage, contact time, and pH. Additionally, the effects of sonication on GO adsorption were examined. GO adsorption involves "oxygen-containing functional groups" (OCFGs) such as COOH, which exhibit negative charges over a wide range of pH values (pH 3-11). DCF (-18.8 kcal mol(-1)) had a more favorable binding energy on the GO surface than SMX (-15.9 kcal mol(-1)). Both DCF and SMX were removed from solution (adsorbed to GO), up to 35% and 12%, respectively, within 6h, and an increase in GO dosage enhanced the removal of DCF. Electrostatic repulsion occurred between dissociated DCF/SMX and the more negatively charged GO at basic pH (>pKa). The sonication of GO significantly improved the removal of DCF (75%) and SMX (30%) due to dispersion of exfoliated GO particles and the reduction of OCFGs on the GO surface. Both DCF and SMX in the adsorption isotherm were explained well by the Freundlich model. The results of this study can be used to maximize the adsorption capacities of micropollutants using GO in water treatment processes. Copyright © 2015 Elsevier Ltd. All rights reserved.

  11. Study on iodine levels in thyroids of iodine-supplemented rats by epithermal neutron activation analysis

    International Nuclear Information System (INIS)

    Wang Xuefei; Zhang Fang; Xu Qing; Liu Nianqing; Chai Zhifang; Zhao Xueqin; Zuo Aijun

    2003-01-01

    The second generation female Wistar rats that have been treated with iodine-deficient food, after their delivery, are divided into three groups i.e. excessive-iodine (EI), adequate-iodine (AI) and iodine-deficient (ID) according to the KIO 3 concentration in the drinking water (3.0, 0.4, 0 mg/L). In addition, the normal rats with low iodine food and 0.4 mg/L KIO 3 water are used as the control group (C). The iodine content in thyroid and the serum thyroid hormone levels of the third generation rats are measured by means of epithermal neutron activation analysis (ENAA), and the method of enzyme-linked immunosorbent assay (ELISA), respectively. The results indicate that the total thyroxine (TT 4 ) and the free thyroxine (FT 4 ) of the EI, compared with those of the controls, are significantly decreased (p 3 ) evidently increased (p 4 , FT 4 and goiter

  12. Adsorption and activation of methane and methanol on Pt(100) surface: a density functional study

    International Nuclear Information System (INIS)

    Moussounda, P.S.

    2006-11-01

    The activation of methane (CH 4 ) and methanol (CH 3 OH) on Pt(100) surface has been investigated using density functional theory calculations based on plane-wave basis and pseudo-potential. We optimised CH 4 /Pt(100) system. The calculated adsorption energies over the top, bridge and hollow sites are small, weakly dependent on the molecular orientation. The nature of the CH 4 -Pt interaction was examined through the electronic structure changes. The adsorption of methyl (CH 3 ) and hydrogen (H) and the co-adsorption of CH 3 +H were also calculated. From these results, we examined the dissociation of CH 4 to CH 3 +H, and the activation energies found are in good agreement with the experimental and theoretical values. The activation of CH 3 OH/Pt(100) has been studied. All the sites have almost the same adsorption energy. The adsorption of oxygen (O) and the co-adsorption of CH 4 and O were also examined. In addition, the formation of CH 3 OH assuming a one-step mechanism step via the co-adsorption of CH 4 +O has been studied and the barrier height was found to be high. (authors)

  13. Iodine excretion has decreased in Denmark between 2004 and 2010 - the importance of iodine content in milk

    DEFF Research Database (Denmark)

    Rasmussen, Lone Banke; Carlé, Allan; Jørgensen, Torben

    2014-01-01

    Fortification with the essential trace element iodine is widespread worldwide. In the present study, results on iodine excretion and intake of iodine-rich foods from a cross-sectional study carried out in 2004-5, 4 to 5 years after the implementation of mandatory iodine fortification, were compared...... with data in a study carried out in 2008-10. The 2008-10 study was a follow-up of a cross-sectional study carried out before iodine fortification was implemented. Participants in the cross-sectional studies were randomly selected. Both studies were carried out in the cities of Aalborg and Copenhagen...... in Denmark. The median urinary iodine concentration decreased in women from 97 μg/l (n 2862) to 78 μg/l (n 2041) (Piodine excretion. The prevalence of users of iodine containing dietary...

  14. Separation and retention of iodine

    International Nuclear Information System (INIS)

    Thomas, T.R.

    1976-01-01

    Caustic and mercuric nitrate scrubbers have been used for iodine recovery from process offgas, but they exhibit low decontamination factors for organic iodide removal and produce liquid wastes that are unsuitable for final storage. The Iodox process gives high decontamination factors for both organic iodides and elemental iodine. The liquid waste can be evaporated to a solid or concentrated and fixed in cement. Efficient separation and retention of gaseous iodine species can be obtained with silver-loaded adsorbents. The waste is a dry solid easily handled and stored. Adsorbents containing cheaper metals appear to have lower iodine-loading capacities and may be unsuitable for bulk iodine removal from process offgas because of the large amounts of solid waste that would be generated. A potential method for regenerationg and recycling silver-loaded adsorbents is being evaluated. In conjunction with the regeneration, lead-exchanged zeolite is used as a secondary adsorbent for the final fixation and storage of the iodine

  15. The importance of iodine nutrition during pregnancy.

    Science.gov (United States)

    Glinoer, Daniel

    2007-12-01

    To examine the importance of iodine nutrition during pregnancy. Review of existing literature of iodine in pregnancy. Population surveys and metabolic studies. Pregnant women. The main changes in thyroid function associated with pregnancy are due to an increase in hormone requirements that begin in the first trimester of gestation. This increase can only be met by a proportional increase in hormone production, something that depends directly upon the availability of iodine. When dietary iodine is lacking, an adequate physiological adaptation is difficult to achieve and is progressively replaced by pathological alterations that occur in parallel with the degree and duration of iodine deprivation. Iodine prophylaxis should be given systematically to women during pregnancy. In most public health programmes dealing with the correction of iodine deficiency disorders, iodised salt has been used as the preferred means to deliver iodine to households. Iodised salt, however, is not the ideal means of delivering iodine in the specific instances of pregnancy, breast-feeding and complementary feeding because of the need to limit salt intake during these periods. In European countries, presently it is proposed that iodine is given to pregnant women and breast-feeding mothers by systematically administering multivitamin tablets containing iodine in order to reach the recommended dietary allowance of 250 microg iodine day-1.

  16. Biofortification of lettuce (Lactuca sativa L.) with iodine: The effect of iodine form and concentration in the nutrient solution on growth, development and iodine uptake of lettuce grown in water culture

    NARCIS (Netherlands)

    Voogt, W.; Holwerda, H.T.; Khodabaks, M.R.

    2010-01-01

    BACKGROUND: Iodine is an essential trace element for humans. Two billion individuals have insufficient iodine intake. Biofortification of vegetables with iodine offers an excellent opportunity to increase iodine intake by humans. The main aim was to study the effect of iodine form and concentration

  17. Surface analytical investigations of the release behaviour of volatile fission products during simulated core meltdown accidents and of the reaction behaviour of iodine with silver surfaces

    International Nuclear Information System (INIS)

    Moers, H.

    1986-07-01

    The report presents the results of the analysis of aerosol particles formed in simulated laboratory scale core meltdown experiments. In addition the interaction of silver surfaces with gaseous molecular iodine and with iodide and molecular iodine in aqueous solution was investigated. The composition of the aerosol samples and the progress of the reactions mentioned were determined by use of surface analytical techniques (X-ray photoelectron spectroscopy, Auger electron spectroscopy, secondary ion mass spectroscopy). The major information can be evaluated from X-ray photoelectron spectra which exhibit chemical shifts of the photoelectron lines which allowing a discrimination between different chemical species of the same element. The analyses showed that iodine is present in the aerosol particles mainly as caesium iodide and, to a smaller fraction, as silver iodide. During the adsorption of gaseous molecular iodine at metallic silver surfaces a closed silver iodide overlayer is formed. In aqueous iodide solutions one observes chemisorption of the iodide anions up to a coverage of the metallic silver surface of about half a monolayer. Molecular iodine in aqueous solution is completely converted to silver iodide which covers the substrate irregularly. (orig./HP) [de

  18. Kinetics of protein adsorption/desorption mediated by pH-responsive polymer layer

    International Nuclear Information System (INIS)

    Su Xiao-Hang; Lei Qun-Li; Ren Chun-Lai

    2015-01-01

    We propose a new way of regulating protein adsorption by using a pH-responsive polymer. According to the theoretical results obtained from the molecular theory and kinetic approaches, both thermodynamics and kinetics of protein adsorption are verified to be well controlled by the solution pH. The kinetics and the amount of adsorbed proteins at equilibrium are greatly increased when the solution environment changes from acid to neutral. The reason is that the increased pH promotes the dissociation of the weak polyelectrolyte, resulting in more charged monomers and more stretched chains. Thus the steric repulsion within the polymer layer is weakened, which effectively lowers the barrier felt by the protein during the process of adsorption. Interestingly, we also find that the kinetics of protein desorption is almost unchanged with the variation of pH. It is because although the barrier formed by the polymer layer changes along with the change of pH, the potential at contact with the surface varies equally. Our results may provide useful insights into controllable protein adsorption/desorption in practical applications. (paper)

  19. Adsorption and methanation of carbon dioxide on a nickel/silica catalyst

    Energy Technology Data Exchange (ETDEWEB)

    Falconer, J.L.; Zagli, A.E.

    1980-04-01

    Temperature-programed desorption and reaction studies showed that increasing amounts of CO/sub 2/ adsorbed on silica-supported 6.9% nickel with increasing temperature to a maximum adsorption at approx. 443/sup 0/K, i.e., that the adsorption was activated; that CO/sub 2/ desorbed partly as CO/sub 2/ with the peak at 543/sup 0/K, and partly as CO with several peaks; that in the presence of hydrogen, nearly all adsorbed CO/sub 2/ desorbed as methane, and a small amount as CO; and that the methane desorption peaks from adsorbed CO and CO/sub 2/ both occurred at 473/sup 0/K. These results suggested that carbon dioxide adsorbed dissociatively as a carbon monoxide and an oxygen species. An observed absence of higher hydrocarbons in the methanation products of carbon dioxide was attributed to a high hydrogen/carbon monoxide surface ratio caused by the activated carbon dioxide adsorption.

  20. A possible highly active supported Ni dimer catalyst for O{sub 2} dissociation: A first-principles study

    Energy Technology Data Exchange (ETDEWEB)

    Dong, Shan [College of Physics and Materials Science, Henan Normal University, Xinxiang, Henan 453007 (China); Zhang, Yanxing, E-mail: 2016025@htu.edu.cn [College of Physics and Materials Science, Henan Normal University, Xinxiang, Henan 453007 (China); Zhang, Xilin; Mao, Jianjun [College of Physics and Materials Science, Henan Normal University, Xinxiang, Henan 453007 (China); Yang, Zongxian, E-mail: yzx@henannu.edu.cn [College of Physics and Materials Science, Henan Normal University, Xinxiang, Henan 453007 (China); Collaborative Innovation Center of Nano Functional Materials and Applications, Henan Province (China)

    2017-04-30

    Graphical abstract: The minimum energy paths (MEPs) for the dissociation process of O{sub 2} on the surfaces of bare YSZ (111) and Ni{sub n}/YSZ (111) (n = 1, 2 and 3). - Highlights: • The catalytic activity of supported metal catalysts is closely related to the size of metal particles. • The dissociation of O{sub 2} on the YSZ (111) surface is largely enhanced by the supported Ni cluster. • The supported Ni dimer is predicted to be the smallest Ni cluster needed for efficient O{sub 2} dissociation. • The results would provide an important reference to improve the activity and efficiency of the Ni/YSZ(111) nanocomposite catalysts in cost-effective materials. - Abstract: The adsorption and dissociation of O{sub 2} on the supported small nickel clusters with one-, two-, three-Ni atoms on yttria-stabilized zirconia (YSZ) (111) surfaces, as well as those on the bare YSZ(111) and Ni(111) surfaces are comparatively studied using ab initio density functional theory calculations. It is found that the dissociation of O{sub 2} on the YSZ(111) surface is largely enhanced by the supported Ni dimer, which is predicted to be the smallest Ni cluster needed for efficient O{sub 2} dissociation. The results would provide an important reference to improve the activity and efficiency of the Ni/YSZ(111) nanocomposite catalysts in cost-effective materials.

  1. Photochemistry of DNA containing iodinated cytosine

    Energy Technology Data Exchange (ETDEWEB)

    Rahn, R O; Stafford, R S [Oak Ridge National Lab., TN (USA)

    1979-10-01

    Irradiation at 313 nm of compounds containing iodinated cytosine moieties results in the photolysis of iodine. Photolysis occurs with a quantum yield of 0.022-0.024 for 5-iododeoxycytidine and 5-iododeoxycytidine monophosphate, and 0.004-0.008 for iodinated DNA as well as for iodinated polycytidylate. Photodegradation of the cytosine moiety occurs when air is present during irradiation, presumably due to the reaction of oxygen with the cytosyl radical formed when iodine is lost. This oxygen promoted photodegradation destroys the cytosine chromophore and is complete in the monomers but occurs to only a limited extent in the polymers. In the absence of oxygen or in the presence of ethanol, photodegradation is prevented and the loss of iodine leads exclusively to the formation of the cytosine chromophore. In DNA, the loss of iodine is accompanied by the formation of sugar damage and/or chain breaks. As measured by sedimentation in alkaline sucrose gradients, approximately one break is made for every six iodines lost in denatured DNA. The frequency of chain breakage per iodine photolyzed is reduced 2-fold in renatured DNA. Analysis in neutral gradients suggests that half of the breaks observed in alkali are alkali-labile bonds. Both ethanol and cysteamine reduce the number of chain breaks in alkali by approximately 3-fold.

  2. Experimental reproduction of iodine deficiency in cattle.

    Science.gov (United States)

    McCoy, M A; Smyth, J A; Ellis, W A; Arthur, J R; Kennedy, D G

    1997-11-22

    The role of iodine deficiency in stillbirth/perinatal weak calf syndrome was investigated in pregnant heifers. Five heifers were fed an iodine deficient diet (mean [sd] iodine concentration 0.06 [0.01] mg/kg dry matter [DM]) and six received an iodine sufficient diet (mean [sd] iodine concentration 1.45 [0.27] mg/kg DM). The diets consisted of wheat and soyabean meal with added minerals and vitamins (with or without iodine) and were fed to the heifers over the final four to five months of pregnancy. The iodine deficient diet produced clinicopathological changes and pathological changes in the thyroid glands of both the heifers and their offspring. However, all the calves in the iodine deficient group were born clinically normal.

  3. Iodine removing method in organic solvent

    International Nuclear Information System (INIS)

    Suzuki, Takeo; Sakurai, Manabu

    1988-01-01

    Purpose: To effectively remove iodine in an organic solvent to thereby remove iodine in the solvent that can be re-used or put to purning treatment. Method: Organic solvent formed from wastes of nuclear facilities is mixed with basic lead acetate, or silica gel or activated carbon incorporated with such a compound to adsorb iodine in the organic solvent to the basic lead acetate. Then, iodine in the organic solvent is removed by separating to eliminate the basic lead acetate adsorbing iodine from the organic solvent or by passing the organic solvent through a tower or column charged or pre-coated with silica gel or activated carbon incorporated with lead acetate. By using basic lead acetate as the adsorbents, iodine can effective by adsorbed and eliminated. Thus, the possibility of circumstantial release of iodine can be reduced upon reusing or burning treatment of the organic solvent. (Kamimura, M.)

  4. Adsorption and surface reaction of bis-diethylaminosilane as a Si precursor on an OH-terminated Si (0 0 1) surface

    International Nuclear Information System (INIS)

    Baek, Seung-Bin; Kim, Dae-Hee; Kim, Yeong-Cheol

    2012-01-01

    The adsorption and the surface reaction of bis-diethylaminosilane (SiH 2 [N(C 2 H 5 ) 2 ] 2 , BDEAS) as a Si precursor on an OH-terminated Si (0 0 1) surface were investigated to understand the initial reaction mechanism of the atomic layer deposition (ALD) process using density functional theory. The bond dissociation energies between two atoms in BDEAS increased in the order of Si-H, Si-N, and the rest of the bonds. Therefore, the relatively weak Si-H and Si-N bonds were considered for bond breaking during the surface reaction. Optimum locations of BDEAS for the Si-H and Si-N bond breaking were determined on the surface, and adsorption energies of 0.43 and 0.60 eV, respectively, were obtained. The Si-H bond dissociation energy of the adsorbed BDEAS on the surface did not decrease, so that a high reaction energy barrier of 1.60 eV was required. On the other hand, the Si-N bond dissociation energy did decrease, so that a relatively low reaction energy barrier of 0.52 eV was required. When the surface reaction energy barrier was higher than the adsorption energy, BDEAS would be desorbed from the surface instead of being reacted. Therefore, the Si-N bond breaking would be dominantly involved during the surface reaction, and the result is in good agreement with the experimental data in the literature.

  5. Influence of the van der Waals interaction in the dissociation dynamics of N{sub 2} on W(110) from first principles

    Energy Technology Data Exchange (ETDEWEB)

    Martin-Gondre, L. [Institut UTINAM-CNRS UMR 6213, Université de Franche-Comté, 16 Route de Gray, 25030 Besançon Cedex (France); Donostia International Physics Center (DIPC), Paseo Manuel de Lardizabal 4, 20018 Donostia-San Sebastián (Spain); Juaristi, J. I. [Departamento de Física de Materiales, Facultad de Químicas (UPV/EHU), Apartado 1072, 20080 Donostia-San Sebastián (Spain); Centro de Física de Materiales CFM/MPC (CSIC-UPV/EHU), Paseo Manuel de Lardizabal 5, 20018 Donostia-San Sebastián (Spain); Donostia International Physics Center (DIPC), Paseo Manuel de Lardizabal 4, 20018 Donostia-San Sebastián (Spain); Blanco-Rey, M. [Departamento de Física de Materiales, Facultad de Químicas (UPV/EHU), Apartado 1072, 20080 Donostia-San Sebastián (Spain); Donostia International Physics Center (DIPC), Paseo Manuel de Lardizabal 4, 20018 Donostia-San Sebastián (Spain); Díez Muiño, R.; Alducin, M. [Centro de Física de Materiales CFM/MPC (CSIC-UPV/EHU), Paseo Manuel de Lardizabal 5, 20018 Donostia-San Sebastián (Spain); Donostia International Physics Center (DIPC), Paseo Manuel de Lardizabal 4, 20018 Donostia-San Sebastián (Spain)

    2015-02-21

    Using ab initio molecular dynamics (AIMD) calculations, we investigate the role of the van der Waals (vdW) interaction in the dissociative adsorption of N{sub 2} on W(110). Hitherto, existing classical dynamics calculations performed on six-dimensional potential energy surfaces based on density functional theory (DFT), and the semi-local PW91 and RPBE [Hammer et al. Phys. Rev. B 59, 7413 (1999)] exchange-correlation functionals were unable to fully describe the dependence of the initial sticking coefficient on the molecular beam incidence conditions as found in experiments. N{sub 2} dissociation on W(110) was shown to be very sensitive not only to short molecule-surface distances but also to large distances where the vdW interaction, not included in semilocal-DFT, should dominate. In this work, we perform a systematic study on the dissociative adsorption using a selection of existing non-local functionals that include the vdW interaction (vdW-functionals). Clearly, the inclusion of the non-local correlation term contributes in all cases to correct the unrealistic energy barriers that were identified in the RPBE at large molecule-surface distances. Among the tested vdW-functionals, the original vdW-DF by Dion et al. [Phys. Rev. Lett. 92, 246401 (2004)] and the ulterior vdW-DF2 give also an adequate description of the N{sub 2} adsorption energy and energy barrier at the transition state, i.e., of the properties that are commonly used to verify the quality of any exchange-correlation functional. However, the results of our AIMD calculations, which are performed at different incidence conditions and hence extensively probe the multi-configurational potential energy surface of the system, do not seem as satisfactory as the preliminary static analysis suggested. When comparing the obtained dissociation probabilities with existing experimental data, none of the used vdW-functionals seems to provide altogether an adequate description of the N{sub 2}/W(110) interaction at

  6. 127I Moessbauer study of some oxygen bonded iodine(I) and iodine(III) complexes

    International Nuclear Information System (INIS)

    Bardhan, M.; Birchall, T.; Frampton, C.; Kapoor, P.

    1988-01-01

    127 I Moessbauer spectra have been recorded at 4.2 0 K for a series of oxygen bonded iodine(I) and iodine(III) complexes. The sign of the quadrupole coupling constant is dependant only on the primary arrangement of ligands about the central iodine nucleus whereas the magnitude and the asymmetry parameter are more sensitive to ligand electronegativity and type. (orig.)

  7. Clinical and Biochemical Uses of Stable Iodine Measurements

    Energy Technology Data Exchange (ETDEWEB)

    Koutras, D. A. [Thyroid Section, Alexandra Hospital, Athens (Greece)

    1970-07-01

    Iodine and thyroid function are closely linked, since the only known role of iodine is its participation in the synthesis of thyroid hormones. Iodine metabolism may be represented as a metabolic cycle consisting of three main pools: the Plasma Inorganic Iodine (PIl) pool into which dietary iodine goes and from where it is either taken up by the thyroid or excreted by the kidneys, the intrathyroidal iodine pool, where. thyroid hormone synthesis occurs, and finally the peripheral pool of thyroid hormones, of which about 80% are deiodinated and 20% excreted with the faeces. Endemic goitre is usually due to iodine deficiency. There is no renal homeostatic mechanism to keep the PII level constant, and so adaptation to iodine deficiency occurs by increasing the thyroidal iodide clearance rate. Stable iodine measurements are necessary for a complete study of iodine metabolism. Estimates of the serum Protein-Bound Iodine (PBl) are the best index of thyroid function, estimates of the PII and of the urinary iodine are the best indices of iodine nutrition. (author)

  8. Iodine nutrition status in lactating mothers residing in countries with mandatory and voluntary iodine fortification programs: an updated systematic review.

    Science.gov (United States)

    Nazeri, Pantea; Mirmiran, Parvin; Shiva, Niloofar; Mehrabi, Yadollah; Mojarrad, Mehdi; Azizi, Fereidoun

    2015-06-01

    The aim of this review is to assess data available on iodine nutrition status in lactating mothers residing in countries with mandatory and voluntary iodine fortification programs and/or iodine supplementation. A systematic review was conducted by searching articles published between 1964 and 2013 in Pub Med, ISI Web, and Cochrane Library using iodine nutrition, lactation, iodine supplementation, and iodine fortification as keywords for titles and/or abstracts. Relevant articles were included if they reported urinary iodine concentration (UIC) in lactating mothers and, if determined, the type of iodine fortification program and/or iodine supplementation. Forty-two studies met the inclusion criteria. Among these, 21 studies assessed lactating mothers in countries with a mandatory iodine fortification program, 17 studies were from countries with voluntary and/or without iodine fortification programs, and four studies assessed iodine nutrition status in lactating mothers undergoing iodine supplementation. Among countries with mandatory iodine fortification programs, the range of salt iodization level in lactating mothers with a UIC 100 μg/L, it was between 15 and 60 ppm. Levels of UIC Chile, Iran, Mongolia, New Guinea, and Nigeria, the median or mean of UIC was >100 μg/L. There was a median or mean UIC program was voluntary, including Switzerland, Australia, New Zealand, Ireland, and Germany. However, in some countries with voluntary iodine fortification programs, such as the United States, Spain, and Japan, a mean or median UIC of >100 μg/L has been reported. Although universal salt iodization is still the most feasible and cost-effective approach for iodine deficiency control in pregnant and lactating mothers, UIC in lactating mothers of most countries with voluntary programs and in areas with mandatory iodine fortification is still within the iodine deficiency range, indicating that iodine supplementation in daily prenatal vitamin/mineral supplements in

  9. Dissociation in patients with dissociative seizures: relationships with trauma and seizure symptoms.

    Science.gov (United States)

    Pick, S; Mellers, J D C; Goldstein, L H

    2017-05-01

    This study aimed to extend the current understanding of dissociative symptoms experienced by patients with dissociative (psychogenic, non-epileptic) seizures (DS), including psychological and somatoform types of symptomatology. An additional aim was to assess possible relationships between dissociation, traumatic experiences, post-traumatic symptoms and seizure manifestations in this group. A total of 40 patients with DS were compared with a healthy control group (n = 43), matched on relevant demographic characteristics. Participants completed several self-report questionnaires, including the Multiscale Dissociation Inventory (MDI), Somatoform Dissociation Questionnaire-20, Traumatic Experiences Checklist and the Post-Traumatic Diagnostic Scale. Measures of seizure symptoms and current emotional distress (Hospital Anxiety and Depression Scale) were also administered. The clinical group reported significantly more psychological and somatoform dissociative symptoms, trauma, perceived impact of trauma, and post-traumatic symptoms than controls. Some dissociative symptoms (i.e. MDI disengagement, MDI depersonalization, MDI derealization, MDI memory disturbance, and somatoform dissociation scores) were elevated even after controlling for emotional distress; MDI depersonalization scores correlated positively with trauma scores while seizure symptoms correlated with MDI depersonalization, derealization and identity dissociation scores. Exploratory analyses indicated that somatoform dissociation specifically mediated the relationship between reported sexual abuse and DS diagnosis, along with depressive symptoms. A range of psychological and somatoform dissociative symptoms, traumatic experiences and post-traumatic symptoms are elevated in patients with DS relative to healthy controls, and seem related to seizure manifestations. Further studies are needed to explore peri-ictal dissociative experiences in more detail.

  10. The high-power iodine laser

    Science.gov (United States)

    Brederlow, G.; Fill, E.; Witte, K. J.

    The book provides a description of the present state of the art concerning the iodine laser, giving particular attention to the design and operation of pulsed high-power iodine lasers. The basic features of the laser are examined, taking into account aspects of spontaneous emission lifetime, hyperfine structure, line broadening and line shifts, stimulated emission cross sections, the influence of magnetic fields, sublevel relaxation, the photodissociation of alkyl iodides, flashlamp technology, excitation in a direct discharge, chemical excitation, and questions regarding the chemical kinetics of the photodissociation iodine laser. The principles of high-power operation are considered along with aspects of beam quality and losses, the design and layout of an iodine laser system, the scalability and prospects of the iodine laser, and the design of the single-beam Asterix III laser.

  11. Geochemical Cycling of Iodine Species in Soils

    International Nuclear Information System (INIS)

    Hu, Q.; Moran, J.E.; Blackwood, V.

    2007-01-01

    Iodine is an important element in studies of environmental protection and human health, global-scale hydrologic processes and nuclear nonproliferation. Biogeochemical cycling of iodine in soils is complex, because iodine occurs in multiple oxidation states and as inorganic and organic species that may be hydrophilic, atmophilic, and biophilic. In this study, we applied new analytical techniques to study the content and speciation of stable iodine in representative surface soils, and sorption and transport behavior of iodine species (iodide, iodate, and 4-iodoaniline) in sediments collected at numerous nuclear facilities in the United States, where anthropogenic 129 I from prior nuclear fuel processing activities poses an environmental risk. The surface soil samples were chosen for their geographic locations (e.g., near the ocean or nuclear facilities) and for their differing physico-chemical characteristics (organic matter, texture, etc). Extracted solutions were analyzed by IC and ICP-MS methods to determine iodine concentrations and to examine iodine speciation (iodide, iodate, and organic iodine). In natural soils, iodine is mostly (nearly 90% of total iodine) present as organic species, while inorganic iodine becomes important (up to 50%) only in sediments with low organic matter. Results from laboratory column studies, aimed at examining transport of different iodine species, showed much greater retardation of 4-iodoaniline than iodide or iodate. Careful attention must be given to potential interconversion among species when interpreting the biogeochemical behavior of iodine in the environment. In addition to speciation, input concentration and residence time effects will influence the biogeochemical cycling of anthropogenic 129I deposited on surface soils

  12. Study of the modes of adsorption and electronic structure of hydrogen peroxide and ethanol over TiO2 rutile (110) surface within the context of water splitting

    Science.gov (United States)

    Alghamdi, H.; Idriss, H.

    2018-03-01

    While photocatalytic water splitting over many materials is favourable thermodynamically the kinetic of the reaction is very slow. One of the proposed reasons linked to the slow oxidation reaction rate is H2O2 formation as a reaction intermediate. Using Density Functional Theory (DFT) H2O2 is investigated on TiO2 rutile (110) surface to determine its most stable adsorption modes: molecular, (H)O(H)O - (a), partially dissociated, (H)OO - (a), and fully dissociated (a) - OO - (a). We then compare H2O2 interaction to that of a fast hole scavenger molecule, ethanol. Geometry, electronic structure, charge density difference and work function determination of both adsorbates are presented and compared using DFT with different functionals (PBE, PBE-D, PBE-U, and HSE + D). H2O2 is found to be strongly adsorbed on TiO2 rutile (110) surface with adsorption energies reaching 0.95 eV, comparable to that of ethanol (0.89 eV); using GGA PBE. The negative changes in the work function upon adsorption were found to be highest for molecular adsorption ( - 1.23 eV) and lowest for the fully dissociated mode ( - 0.54 eV) of H2O2. This may indicate that electrons flow from the surface to the adsorbate in order to make O(s)-H partially offset the overall magnitude of the oxygen lone pair interaction (of H2O2) with Ti4+ cations. Examination of the electronic structure through density of states (DOS) at the PBE level of computation, indicates that the H2O2 highest occupied molecular orbital (HOMO) level is not overlapping with oxygen atoms of TiO2 surface at any of its adsorption modes and at any of the computation methods. Some overlap is seen using the HSE + D computational method. On the other hand the dissociated mode of ethanol (ethoxides) does overlap with all computational methods used. The high adsorption energy and the absence of overlapping of the HOMO level of H2O2 with TiO2 rutile (110) surface may explain why water splitting is slow.

  13. Mock iodine-125 radiation source

    International Nuclear Information System (INIS)

    Coffey, D.L.

    1976-01-01

    An intimate mixture of americium-241 and iodine-129 provides an energy spectrum that reliably simulates the spectrum of iodine-125 in a well-type detector. As such, it may be used as a long-lived standard to calibrate instruments such as well scintillation spectrometers in which measurements are to be made involving iodine-125

  14. Iodine deficiency disorders in Sarawak, Malaysia.

    Science.gov (United States)

    Kiyu, A; Tambi, Z; Ahmad, Y

    1998-12-01

    The state of Sarawak in Malaysia has a high prevalence of iodine deficiency disorders (IDD). This has been revealed through a review of goitre surveys that were carried out in the State from the early 1970s to the 1990s. The primary cause was low iodine intake. Contributory factors were low iodine content in the soil and water as well as high cassava consumption. Virtual elimination of IDD is one of the nutritional goals of the IDD prevention and control programs. The strategies adopted include the iodination of coarse salt, which is sold in the market by shopkeepers and also provided free from government health clinics; legislation requiring that salt sold in IDD-gazetted areas must be iodised; and the use of iodinators to iodise water supplied by the gravity-feed system to villages and boarding schools in rural areas. The indicators used in the monitoring and evaluation of the program include the availability of iodised salt in the market and households, iodine levels in water supply that had been fitted with iodinators, goitre volume measured by ultrasound, and urinary iodine excretion among school children.

  15. Comparisons of multilayer H2O adsorption onto the (110) surfaces of alpha-TiO2 and SnO2 as calculated with density functional theory.

    Science.gov (United States)

    Bandura, Andrei V; Kubicki, James D; Sofo, Jorge O

    2008-09-18

    Mono- and bilayer adsorption of H2O molecules on TiO2 and SnO 2 (110) surfaces has been investigated using static planewave density functional theory (PW DFT) simulations. Potential energies and structures were calculated for the associative, mixed, and dissociative adsorption states. The DOS of the bare and hydrated surfaces has been used for the analysis of the difference between the H2O interaction with TiO2 and SnO 2 surfaces. The important role of the bridging oxygen in the H2O dissociation process is discussed. The influence of the second layer of H2O molecules on relaxation of the surface atoms was estimated.

  16. Adsorption characteristics of arsenic from micro-polluted water by an innovative coal-based mesoporous activated carbon.

    Science.gov (United States)

    Li, Wei-Guang; Gong, Xu-Jin; Wang, Ke; Zhang, Xin-Ran; Fan, Wen-Biao

    2014-08-01

    An innovative coal-based mesoporous activated carbon (NCPAC) was prepared by re-agglomeration, oxidation and two-step activation using coal-blending as precursor. Adsorption capacities of As(III) and As(V) ions (<0.5mg/L) onto NCPAC as a function of pH, adsorbent dose, initial arsenic concentrations, contact time, and adsorption isotherms at 7°C was investigated. The innovative methods promoted total pore volume (1.087cm(3)/g), mesoporosity (64.31%), iodine numbers (1104mg/g), methylene blue (251.8mg/g) and ash contents (15.26%). The adsorption capacities of NCPAC for As(III) and As(V) were found to be strongly dependent on pH and contact time. The optimal pH value was 6. The equilibrium time was 60min for adsorption of As(III) and As(V) by NCPAC. The Langmuir model fitted the experimental data well for both As(III) (R(2)=0.9980) and As(V) (R(2)=0.9988). Maximum adsorption capacities of As(III) and As(V) (C0=0.50mg/L) by NCPAC were 1.491 and 1.760mg/g, respectively. Copyright © 2014 Elsevier Ltd. All rights reserved.

  17. Iodine in soil

    International Nuclear Information System (INIS)

    Johanson, Karl Johan

    2000-12-01

    A literature study of the migration and the appearance of iodine isotopes in the bio-sphere particularly in soil is presented. Some important papers in the field of iodine appearance in soil and the appearance of 129 I in the surroundings of reprocessing plants are discussed. The most important conclusions are: 1. Iodine binds to organic matter in the soil and also to some oxides of aluminium and iron. 2. If the iodine is not bound to the soil a large fraction of added 129 I is volatilized after a rather short period. 3. The binding and also the volatilisation seems to be due to biological activity in the soil. It may take place within living microorganisms or by external enzymes excreted from microorganisms. 4. Due to variations in the composition of soil there may be a large variation in the distribution of 129 I in the vertical profile of soil - usually most of the 129 I in the upper layer - which also results in large variations in the 129 I uptake to plants

  18. Iodine in soil

    Energy Technology Data Exchange (ETDEWEB)

    Johanson, Karl Johan [Swedish Univ. of Agricultural Sciences, Uppsala (Sweden). Dept. of Forest Mycology and Pathology

    2000-12-01

    A literature study of the migration and the appearance of iodine isotopes in the bio-sphere particularly in soil is presented. Some important papers in the field of iodine appearance in soil and the appearance of {sup 129}I in the surroundings of reprocessing plants are discussed. The most important conclusions are: 1. Iodine binds to organic matter in the soil and also to some oxides of aluminium and iron. 2. If the iodine is not bound to the soil a large fraction of added {sup 129}I is volatilized after a rather short period. 3. The binding and also the volatilisation seems to be due to biological activity in the soil. It may take place within living microorganisms or by external enzymes excreted from microorganisms. 4. Due to variations in the composition of soil there may be a large variation in the distribution of {sup 129}I in the vertical profile of soil - usually most of the {sup 129}I in the upper layer - which also results in large variations in the {sup 129}I uptake to plants.

  19. Intravascular enhancement with identical iodine delivery rate using different iodine contrast media in a circulation phantom.

    Science.gov (United States)

    Mihl, Casper; Wildberger, Joachim E; Jurencak, Tomas; Yanniello, Michael J; Nijssen, Estelle C; Kalafut, John F; Nalbantov, Georgi; Mühlenbruch, Georg; Behrendt, Florian F; Das, Marco

    2013-11-01

    Both iodine delivery rate (IDR) and iodine concentration are decisive factors for vascular enhancement in computed tomographic angiography. It is unclear, however, whether the use of high-iodine concentration contrast media is beneficial to lower iodine concentrations when IDR is kept identical. This study evaluates the effect of using different iodine concentrations on intravascular attenuation in a circulation phantom while maintaining a constant IDR. A circulation phantom with a low-pressure venous compartment and a high-pressure arterial compartment simulating physiological circulation parameters was used (heart rate, 60 beats per minute; stroke volume, 60 mL; blood pressure, 120/80 mm Hg). Maintaining a constant IDR (2.0 g/s) and a constant total iodine load (20 g), prewarmed (37°C) contrast media with differing iodine concentrations (240-400 mg/mL) were injected into the phantom using a double-headed power injector. Serial computed tomographic scans at the level of the ascending aorta (AA), the descending aorta (DA), and the left main coronary artery (LM) were obtained. Total amount of contrast volume (milliliters), iodine delivery (grams of iodine), peak flow rate (milliliter per second), and intravascular pressure (pounds per square inch) were monitored using a dedicated data acquisition program. Attenuation values in the AA, the DA, and the LM were constantly measured (Hounsfield unit [HU]). In addition, time-enhancement curves, aortic peak enhancement, and time to peak were determined. All contrast injection protocols resulted in similar attenuation values: the AA (516 [11] to 531 [37] HU), the DA (514 [17] to 531 [32] HU), and the LM (490 [10] to 507 [17] HU). No significant differences were found between the AA, the DA, and the LM for either peak enhancement (all P > 0.05) or mean time to peak (AA, 19.4 [0.58] to 20.1 [1.05] seconds; DA, 21.1 [1.0] to 21.4 [1.15] seconds; LM, 19.8 [0.58] to 20.1 [1.05] seconds). This phantom study demonstrates that

  20. Dissociation of trimethylgallium on the ZrB2(0001) surface

    International Nuclear Information System (INIS)

    Manandhar, Kedar; Trenary, Michael; Otani, Shigeki; Zapol, Peter

    2013-01-01

    X-ray photoelectron spectroscopy and reflection absorption infrared spectroscopy (RAIRS) have been used to study the dissociative adsorption of trimethylgallium (TMG) on the ZrB 2 (0001) surface. Spectra were obtained as a function of annealing temperature following TMG exposure at temperatures of 95 and 300 K, and also as a function of TMG exposure for a surface temperature of 300 K. After annealing above 220 K, a significant decrease in the relative concentration of carbon and gallium occurred accompanied by a shift of ∼0.2 eV in the Ga 2p 3/2 binding energy. The RAIR spectra show that after annealing to ∼220 K, only one CH 3 deformation band at 1196 cm −1 remains, the intensity of which is considerably decreased indicating loss of at least one methyl group from TMG. Further annealing leads to the sequential loss of the other methyl groups. The first methyl desorbs while the last two dissociate to deposit two C atoms per TMG molecule onto the ZrB 2 surface

  1. Air filtration plants of wall-type for separation of fission iodine in nuclear reactors

    International Nuclear Information System (INIS)

    Stiehl, H.H.; Neumann, M.; Sinhuber, D.

    1976-01-01

    The increasing density of nuclear power stations and increased safety requirements will lead in future to higher flow rates and longer residence times in the adsorption filter layer of the iodine sorption filter plants of nuclear power stations. The safety requirements in the Federal Republic of Germany have been complied with so far in the conventional way by means of duct-type filter constructions. For the higher flow rates and longer residence times necessary in future, we propose a filter construction of wall-type, which complies with the safety regulations of the Federal Republic of Germany. The economic and technical advantages are discussed

  2. Study of Iodine Prophylaxis Following Nuclear Accidents

    International Nuclear Information System (INIS)

    Sri Widayati; Tedjasari, R. S.; Elfida

    2007-01-01

    Study of iodine prophylaxis following nuclear accidents has been done. Giving stable iodine to a population exposed by I-131 is one of preventive action from internal radiation to the thyroid gland. Stable iodine could be given as Kl tablet in a range of dose of 30 mg/day to 130 mg/day. Improper giving of stable iodine could cause side effect to health, so then some factors should be considered i. e. dose estimation, age, dose of stable iodine to be given, duration of stable iodine prophylaxis and risk of health. (author)

  3. Theoretical and experimental investigations on the behaviour of iodine during severe accidents: volatile iodine. Final report

    International Nuclear Information System (INIS)

    Funke, F.; Zeh, P.; Greger, G.U.; Hellmann, S.

    1999-01-01

    Analysis of the consequences of severe accidents in nuclear power plants requires knowledge of the behaviour of radionuclides relevant from the radiological viewpoint, especially the iodine. The current modelling of iodine behaviour is not conclusive, owing to insufficiently known data. This project is intended to eliminate some of these data gaps in critical areas. 350 tests on the radiation-induced oxidation of elemental iodine (I 2 ) in the containment atmosphere were performed yielding an extended database. Moreover, irradiation tests were performed on the formation and decomposition of ozone which is a reaction partner for I 2 . The reaction with ozone converts volatile I 2 into non-volatile iodine oxides or iodate. An improved kinetic modelling was developed for the iodine accident code IMPAIR. Now the model is valid also for steam-containing atmospheres and, additionally, considers dose rate and thus the actual ozone concentration. An assessment of the literature concludes that β and γ radiation have no different impact on iodine chemistry and thus do not need to be modelled separately in iodine accident codes. An assessment of the literature shows a partly significant chemical interaction of volatile iodine with aerosols. Since such reactions lead to a faster decrease of volatile iodine at least at high aerosol concentrations, a modelling should be foreseen in the future. In the frame of the international ISP-41 project, calculations to an integral test in the Canadian Radioiodine Test Facility (RTF) were performed with IMPAIR. The existing model of the radiation-induced I 2 formation in the sump in IMPAIR is identified as a weakness requiring future improvement. A theoretical assessment on the iodine chemistry in the droplets of a spray system concludes that a modelling is necessary in case of spraying with fresh water, and that this is already contained in available spray models. During recirculation spraying in an examplary, hypothetical EPR case, no

  4. Technetium, Iodine, and Chromium Adsorption/Desorption Kd Values for Vadose Zone Pore Water, ILAW Glass, and Cast Stone Leachates Contacting an IDF Sand Sequence

    Energy Technology Data Exchange (ETDEWEB)

    Last, George V. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Snyder, Michelle M.V. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Um, Wooyong [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Stephenson, John R. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Leavy, Ian I. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Strickland, Christopher E. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Bacon, Diana H. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Qafoku, Nikolla [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Serne, R. Jeffrey [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

    2015-11-01

    Performance and risk assessments of immobilized low-activity waste (ILAW) at the Integrated Disposal Facility (IDF) have shown that risks to groundwater are quite sensitive to adsorption-desorption interactions occurring in the near- and far-field environment. These interactions between the underlying sediments and the contaminants present in the leachates that descend from the buried glass, secondary waste grouts, and potentially Cast Stone low-activity waste packages have been represented in these assessments using the contaminant distribution coefficient (Kd) construct. Some contaminants (99Tc, 129I, and Cr) present in significant quantities in these wastes have low Kd values and tend to drive risk to public health and the environment. Relatively small changes in the Kd value can cause relatively large changes in the retardation factor. Thus, even relatively small uncertainty in the Kd value can result in a relatively large uncertainty in the risk determined through performance assessment modeling. The purpose of this study is to further reduce the uncertainty in Kd values for 99Tc, iodine (iodide and iodate), and Cr (chromate; CrO42-) by conducting systematic adsorption-desorption experiments using actual sand-dominated Hanford formation sediments from beneath the IDF and solutions that closely mimic Hanford vadose zone pore water and leachates from Cast Stone and ILAW glass waste forms. Twenty-four batch and 21 flow-through column experiments were conducted, yielding 261 Kd measurements for these key contaminants, and contributing to our understanding for predicting transport from wastes disposed to the IDF. While the batch Kd methodology is not well-suited for measuring Kd values for non-sorbing species (as noted by the U.S. Environmental Protection Agency), the batch Kd results presented here are not wholly inconsistent with the column Kd results, and could be used for sensitivity purposes. Results from the column experiments are consistent with the best

  5. Iodine deficiency in pregnancy and the effects of maternal iodine supplementation on the offspring: a review

    NARCIS (Netherlands)

    Zimmermann, M.B.

    2009-01-01

    The World Health Organization (WHO) recently increased their recommended iodine intake during pregnancy from 200 to 250 µg/d and suggested that a median urinary iodine (UI) concentration of 150-249 µg/L indicates adequate iodine intake in pregnant women. Thyrotropin concentrations in blood collected

  6. Iodine-125 and Iodine-131 in the Thames Valley and other areas

    International Nuclear Information System (INIS)

    Howe, J.R.; Lloyd, M.K.; Bowlt, C.

    1985-01-01

    Part of the Iodine-125 and Iodine-131 waste from hospitals and research centres is discarded down drains and passes through sewage and water reclamation works into the river system. Relatively high concentration of radioiodine occur in outfalls that discharge into the river Thames, lower levels are found in the mainstream river and less still in the reservoirs and tap water supplies abstracted from the river. The pathway from waste to drinking water could account for the low levels of Iodine-125 found in the thyroid glands of some farm animals and human beings in the Thames valley

  7. Evaluation of soil-plant transfer factors of iodine. Estimation of annual ingestion for iodine from the diet

    International Nuclear Information System (INIS)

    Saas, Arsene.

    1980-11-01

    The author presents the iodine middle contents of the soils and vegetables. A synthesis on the iodine evolution in the soils and vegetables allows to conclude that the vegetable absorption of this isotope is correlated with the isotopiquely exchangeable iodine of the soil. The soil-plant transfer-factors are calculated for the vegetables, cereals, fruits from the stable iodine quantitative analysis. The annual iodine ingestion has been estimated from the dietary of the European Communites areas. This one is a little different of the quantity estimated by CRESTA-LACOURLY-R 2979, yet the contribution by consummation unity is different [fr

  8. Methane dissociation on the steps and terraces of Pt(211) resolved by quantum state and impact site

    Science.gov (United States)

    Chadwick, Helen; Guo, Han; Gutiérrez-González, Ana; Menzel, Jan Paul; Jackson, Bret; Beck, Rainer D.

    2018-01-01

    Methane dissociation on the step and terrace sites of a Pt(211) single crystal was studied by reflection absorption infrared spectroscopy (RAIRS) at a surface temperature of 120 K. The C—H stretch RAIRS signal of the chemisorbed methyl product species was used to distinguish between adsorption on step and terrace sites allowing methyl uptake to be monitored as a function of incident kinetic energy for both sites. Our results indicate a direct dissociation mechanism on both sites with higher reactivity on steps than on terraces consistent with a difference in an activation barrier height of at least 30 kJ/mol. State-specific preparation of incident CH4 with one quantum of antisymmetric (ν3) stretch vibration further increases the CH4 reactivity enabling comparison between translational and vibrational activation on both steps and terraces. The reaction is modeled with first principles quantum theory that accurately describes dissociative chemisorption at different sites on the surface.

  9. Chemical oxygen-iodine laser with atomic iodine generated via fluorine atoms

    Czech Academy of Sciences Publication Activity Database

    Jirásek, Vít; Čenský, Miroslav; Špalek, Otomar; Kodymová, Jarmila; Picková, Irena; Jakubec, Ivo

    2008-01-01

    Roč. 345, č. 1 (2008), 14-22 ISSN 0301-0104 R&D Projects: GA ČR GA202/05/0359 Institutional research plan: CEZ:AV0Z10100523; CEZ:AV0Z40320502 Keywords : atomic iodine * atomic fluorine * chemical oxygen–iodine laser * COIL Subject RIV: BH - Optics, Masers, Lasers Impact factor: 1.961, year: 2008

  10. Mineral resource of the month: iodine

    Science.gov (United States)

    Polyak, Désirée E.

    2009-01-01

    The article focuses on iodine, its benefits and adverse effects, and its production and consumption. It states that iodine is essential to humans for it produces thyroid hormones to nourish thyroid glands but excessive intake could cause goiter, hyperthyroidism or hypothyroidism. U.S. laws require salt iodization to help prevent diseases. Chile and Japan are the world's leading iodine producer while in the U.S. iodine is mined from deep well brines in northern Oklahoma.

  11. The Swiss lodized Salt Program Provides Adequate Iodine for School Children and Pregnant Women, but Weaning Infants Not Receiving Iodine-Containing Complementary Foods as well as Their Mothers Are Iodine Deficient

    NARCIS (Netherlands)

    Andersson, M.; Aeberli, I.; Wüst, N.; Piacenza, A.M.; Bucher, T.; Henschen, I.; Haldimann, M.; Zimmermann, M.B.

    2010-01-01

    Background: If children and pregnant women in the population are iodine sufficient, it is generally assumed infants are also sufficient. But weaning infants may be at risk of iodine deficiency because iodized salt contributes little dietary iodine during this period. To fill this gap, iodine

  12. Iodine behaviour in severe accidents

    Energy Technology Data Exchange (ETDEWEB)

    Dutton, L M.C.; Grindon, E; Handy, B J; Sutherland, L [NNC Ltd., Knutsford (United Kingdom); Bruns, W G; Sims, H E [AEA Technology, Harwell (United Kingdom); Dickinson, S [AEA Technology, Winfrith (United Kingdom); Hueber, C; Jacquemain, D [IPSN/CEA, Cadarache, Saint Paul-Lez-Durance (France)

    1996-12-01

    A description is given of analyses which identify which aspects of the modelling and data are most important in evaluating the release of radioactive iodine to the environment following a potential severe accident at a PWR and which identify the major uncertainties which affect that release. Three iodine codes are used namely INSPECT, IODE and IMPAIR, and their predictions are compared with those of the PSA code MAAP. INSPECT is a mechanistic code which models iodine behaviour in the aqueous aerosol, spray water and sump water, and the partitioning of volatile species between the aqueous phases and containment gas space. Organic iodine is not modelled. IODE and IMPAIR are semi-empirical codes which do not model iodine behaviour in the aqueous aerosol, but model organic iodine. The fault sequences addressed are based on analyses for the Sizewell `B` design. Two types of sequence have been analysed.: (a) those in which a major release of fission products from the primary circuit to the containment occur, e.g. a large LOCAS, (b) those where the release by-passes the containment, e.g. a leak into the auxiliary building. In the analysis of the LOCA sequences where the pH of the sump is controlled to be a value of 8 or greater, all three codes predict that the oxidation of iodine to produce gas phase species does not make a significant contribution to the source term due to leakage from the reactor building and that the latter is dominated by iodide in the aerosol. In the case where the pH of the sump is not controlled, it is found that the proportion of gas phase iodine increases significantly, although the cumulative leakage predicted by all three codes is not significantly different from that predicted by MAAP. The radiolytic production of nitric acid could be a major factor in determining the pH, and if the pH were reduced, the codes predict an increase in gas phase iodine species leaked from the containment. (author) 4 figs., 7 tabs., 13 refs.

  13. Adsorption of selected endocrine disrupting compounds and pharmaceuticals on activated biochars

    Energy Technology Data Exchange (ETDEWEB)

    Jung, Chanil [Department of Civil and Environmental Engineering, University of South Carolina, Columbia, SC 29208 (United States); Park, Junyeong [Department of Forest Biomaterials, North Carolina State University, Raleigh, NC 27695 (United States); Lim, Kwang Hun [Department of Chemistry, East Carolina University, Greenville, NC 27858 (United States); Park, Sunkyu [Department of Forest Biomaterials, North Carolina State University, Raleigh, NC 27695 (United States); Heo, Jiyong [Department of Civil and Environmental Engineering, Korea Army Academy at Young-Cheon, PO Box 135-1, Changhari, Gogyeongmeon, Young-cheon 770-849, Gyeongbuk (Korea, Republic of); Her, Namguk [Department of Chemistry and Environmental Sciences, Korea Army Academy at Young-Cheon, PO Box 135-1, Changhari, Gogyeongmeon, Young-cheon 770-849, Gyeongbuk (Korea, Republic of); Oh, Jeill; Yun, Soyoung [Department of Civil and Environmental Engineering, Chung-Ang University, Dongjak-Ku, Seoul 156-756 (Korea, Republic of); Yoon, Yeomin, E-mail: yoony@cec.sc.edu [Department of Civil and Environmental Engineering, University of South Carolina, Columbia, SC 29208 (United States)

    2013-12-15

    Highlights: • Biochars were prepared at different gas environments. • The competitive adsorption among EDCs/PhACs were investigated. • Aromaticity of adsorbent plays a significant role for EDCs/PhACs adsorption. -- Abstract: Chemically activated biochar produced under oxygenated (O-biochar) and oxygen-free (N-biochar) conditions were characterized and the adsorption of endocrine disrupting compounds (EDCs): bisphenol A (BPA), atrazine (ATR), 17 α-ethinylestradiol (EE2), and pharmaceutical active compounds (PhACs); sulfamethoxazole (SMX), carbamazepine (CBM), diclofenac (DCF), ibuprofen (IBP) on both biochars and commercialized powdered activated carbon (PAC) were investigated. Characteristic analysis of adsorbents by solid-state nuclear magnetic resonance (NMR) was conducted to determine better understanding about the EDCs/PhACs adsorption. N-biochar consisted of higher polarity moieties with more alkyl (0–45 ppm), methoxyl (45–63 ppm), O-alkyl (63–108 ppm), and carboxyl carbon (165–187 ppm) content than other adsorbents, while aromaticity of O-biochar was higher than that of N-biochar. O-biochar was composed mostly of aromatic moieties, with low H/C and O/C ratios compared to the highly polarized N-biochar that contained diverse polar functional groups. The higher surface area and pore volume of N-biochar resulted in higher adsorption capacity toward EDCs/PhACs along with atomic-level molecular structural property than O-biochar and PAC. N-biochar had a highest adsorption capacity of all chemicals, suggesting that N-biochar derived from loblolly pine chip is a promising sorbent for agricultural and environmental applications. The adsorption of pH-sensitive dissociable SMX, DCF, IBP, and BPA varied and the order of adsorption capacity was correlated with the hydrophobicity (K{sub ow}) of adsorbates throughout the all adsorbents, whereas adsorption of non-ionizable CBM, ATR, and EE2 in varied pH allowed adsorbents to interact with hydrophobic property

  14. Adsorption of selected endocrine disrupting compounds and pharmaceuticals on activated biochars

    International Nuclear Information System (INIS)

    Jung, Chanil; Park, Junyeong; Lim, Kwang Hun; Park, Sunkyu; Heo, Jiyong; Her, Namguk; Oh, Jeill; Yun, Soyoung; Yoon, Yeomin

    2013-01-01

    Highlights: • Biochars were prepared at different gas environments. • The competitive adsorption among EDCs/PhACs were investigated. • Aromaticity of adsorbent plays a significant role for EDCs/PhACs adsorption. -- Abstract: Chemically activated biochar produced under oxygenated (O-biochar) and oxygen-free (N-biochar) conditions were characterized and the adsorption of endocrine disrupting compounds (EDCs): bisphenol A (BPA), atrazine (ATR), 17 α-ethinylestradiol (EE2), and pharmaceutical active compounds (PhACs); sulfamethoxazole (SMX), carbamazepine (CBM), diclofenac (DCF), ibuprofen (IBP) on both biochars and commercialized powdered activated carbon (PAC) were investigated. Characteristic analysis of adsorbents by solid-state nuclear magnetic resonance (NMR) was conducted to determine better understanding about the EDCs/PhACs adsorption. N-biochar consisted of higher polarity moieties with more alkyl (0–45 ppm), methoxyl (45–63 ppm), O-alkyl (63–108 ppm), and carboxyl carbon (165–187 ppm) content than other adsorbents, while aromaticity of O-biochar was higher than that of N-biochar. O-biochar was composed mostly of aromatic moieties, with low H/C and O/C ratios compared to the highly polarized N-biochar that contained diverse polar functional groups. The higher surface area and pore volume of N-biochar resulted in higher adsorption capacity toward EDCs/PhACs along with atomic-level molecular structural property than O-biochar and PAC. N-biochar had a highest adsorption capacity of all chemicals, suggesting that N-biochar derived from loblolly pine chip is a promising sorbent for agricultural and environmental applications. The adsorption of pH-sensitive dissociable SMX, DCF, IBP, and BPA varied and the order of adsorption capacity was correlated with the hydrophobicity (K ow ) of adsorbates throughout the all adsorbents, whereas adsorption of non-ionizable CBM, ATR, and EE2 in varied pH allowed adsorbents to interact with hydrophobic property of

  15. Iodine in Enteral and Parenteral Nutrition

    NARCIS (Netherlands)

    Zimmermann, M.B.; Crill, C.M.

    2010-01-01

    Iodine deficiency (ID) has multiple adverse effects on growth and development due to inadequate thyroid hormone production. Methods for assessment of iodine nutrition in individuals include the urinary iodine concentration (UI), thyroid size and thyroid function tests. The UI measured in several

  16. Dissociation in mediation

    Directory of Open Access Journals (Sweden)

    Daniela Muraru

    2008-01-01

    Full Text Available This paper approaches several texts that are part of the so-called discourse of mediation, adopting a pragma-dialectical perspective of the theory of dissociation. It is an attempt to identify the uses of dissociative patterns, with special emphasis on the indicators of dissociation. The paper investigates the various uses of the concept of dissociation as a discursive technique in the argumentation on the different aspects that are involved in international conflict, such as the discussion of the notion of peace. The purpose is to identify the role of dissociation, as a device strategically used by the mediator to help the parties minimize the disagreement space, and come to a conflict resolution.

  17. Formation and behaviour of organic iodine

    International Nuclear Information System (INIS)

    Zilliacus, R.; Koukkar, P.; Karjunen, T.; Sjoevall, H.

    2002-01-01

    The report presents experimental studies on the formation of organic iodine in severe reactor accidents. The analyses were performed to evaluate the amount of alkaline chemical needed for effective pH control of containment water during the accidents. The formation of organic iodine in solutions used in the filtered venting system and the absorption of iodine compounds in the solutions were studied. Experiments for the formation of organic iodine on painted surfaces were also performed. (au)

  18. Iodine chemistry in a reactor regulation

    Energy Technology Data Exchange (ETDEWEB)

    Powers, D A [Nuclear Regulatory Commission, Washington, DC (United States). Advisory Committee on Reactor Safeguards

    1996-12-01

    Radioactive iodine has always been an important consideration in the regulation of nuclear power reactors to assure the health and safety of the public. Regulators adopted conservatively bounding predictions of iodine behavior in the earliest days of the development of nuclear power because there was so little known about either accidents or the chemistry of iodine. Today there is a flood of new information and understanding of the chemistry of iodine under reactor accident conditions. This paper offers some thoughts on how the community of scientists engaged in the study of iodine chemistry can present the results of their work so that it is more immediately adopted by the regulator. It is suggested that the scientific community consider the concept of consensus standards so effectively used within the engineering community to define the status of the study of radioactive iodine chemistry for reactor safety. (author) 9 refs.

  19. Iodine chemistry in a reactor regulation

    International Nuclear Information System (INIS)

    Powers, D.A.

    1996-01-01

    Radioactive iodine has always been an important consideration in the regulation of nuclear power reactors to assure the health and safety of the public. Regulators adopted conservatively bounding predictions of iodine behavior in the earliest days of the development of nuclear power because there was so little known about either accidents or the chemistry of iodine. Today there is a flood of new information and understanding of the chemistry of iodine under reactor accident conditions. This paper offers some thoughts on how the community of scientists engaged in the study of iodine chemistry can present the results of their work so that it is more immediately adopted by the regulator. It is suggested that the scientific community consider the concept of consensus standards so effectively used within the engineering community to define the status of the study of radioactive iodine chemistry for reactor safety. (author) 9 refs

  20. Iodine Prophylaxis and Nuclear Accidents

    International Nuclear Information System (INIS)

    Franic, Z.

    1998-01-01

    Iodine is a highly volatile element therefore being very mobile in the environment. It enters the metabolism of living organisms and is selectively taken up and concentrated in the thyroid gland. The plume (cloud-like formation) of radioactive material that might be released in the environment in the case of a serious nuclear accident, primarily consists of the radioactive isotopes of iodine. Among those, due to its decay properties, is the most important 131 I. The effective means of protecting the thyroid gland against exposure to radioactive iodine is an intake of stable iodine. Therefore, one of the central issues in the emergency planning is to determine whether and at which projected thyroid radiation dose stable iodine should be given to the population. The International Atomic Energy Agency (IAEA) set the generic optimized intervention value for iodine prophylaxis to 100 mGy of avertable committed dose to a thyroid.The prophylaxis is implemented by utilizing the pills of pills of potassium iodine (KI). The efficacy of KI in protecting the thyroid gland depends upon the time of intake relative to the start of exposure to radioactive iodine. The best results are obtained if KI is taken 1-2 hours before or immediately after the start of exposure. The recommended dosage, based upon the study performed by Il'in et.al. is 130 mg/day. KI should be taken at least three days after the acute exposure to radioiodine, to prevent accumulation in a thyroid gland of radioiodine excreted from the other compartments of the body. The largest epidemiological study on the effects of KI prophylaxis ever performed was the one in Poland after the Chernobyl accident. Stable iodine was given as single dose of KI solution to 10.5 million of children and 7 millions of adults. Among children no serious side effects were seen while only two adults (with previously recorded iodine sensitivity) had severe respiratory distresses. Polish experiences showed that rapid response to such

  1. Transfer of gaseous iodine to Tradescantia

    International Nuclear Information System (INIS)

    Nakamura, Yuji; Ohmomo, Yoichiro.

    1984-01-01

    Transfer rates of gaseous elemental iodine and methyliodide from atmosphere to Tradescantia were investigated in relation to supposed genetic mutation due to radioactive iodine released from nuclear facilities. The estimated transfer rate of elemental iodine to the young buds of Tradescantia, which was given as the ratio of iodine uptake rate per unit weight of the plant to the concentration of the element in the air, was approximately 7 x 10 -2 cm 3 /g.sec, about 30 to 40 times higher than that of methyliodide. The contribution of direct deposition of elemental iodine was suggested to be significant, although methyliodide was mainly absorbed by respiration through stomata of the plant. (author)

  2. Direct evidence for coastal iodine particles from Laminaria macroalgae – linkage to emissions of molecular iodine

    Directory of Open Access Journals (Sweden)

    G. McFiggans

    2004-01-01

    Full Text Available Renewal of ultrafine aerosols in the marine boundary layer may lead to repopulation of the marine distribution and ultimately determine the concentration of cloud condensation nuclei (CCN. Thus the formation of nanometre-scale particles can lead to enhanced scattering of incoming radiation and a net cooling of the atmosphere. The recent demonstration of the chamber formation of new particles from the photolytic production of condensable iodine-containing compounds from diiodomethane (CH2I2, (O'Dowd et al., 2002; Kolb, 2002; Jimenez et al., 2003a; Burkholder and Ravishankara, 2003, provides an additional mechanism to the gas-to-particle conversion of sulphuric acid formed in the photo-oxidation of dimethylsulphide for marine aerosol repopulation. CH2I2 is emitted from seaweeds (Carpenter et al., 1999, 2000 and has been suggested as an initiator of particle formation. We demonstrate here for the first time that ultrafine iodine-containing particles are produced by intertidal macroalgae exposed to ambient levels of ozone. The particle composition is very similar both to those formed in the chamber photo-oxidation of diiodomethane and in the oxidation of molecular iodine by ozone. The particles formed in all three systems are similarly aspherical. When small, those formed in the molecular iodine system swell only moderately when exposed to increased humidity environments, and swell progressively less with increasing size; this behaviour occurs whether they are formed in dry or humid environments, in contrast to those in the CH2I2 system. Direct coastal boundary layer observations of molecular iodine, ultrafine particle production and iodocarbons are reported. Using a newly measured molecular iodine photolysis rate, it is shown that, if atomic iodine is involved in the observed particle bursts, it is of the order of at least 1000 times more likely to result from molecular iodine photolysis than diiodomethane photolysis. A hypothesis for molecular

  3. Single and competitive adsorption of OMPs by carbon nanotubes – mechanism and fitting models

    Directory of Open Access Journals (Sweden)

    Kamińska Gabriela

    2017-01-01

    Full Text Available The adsorption of three organic micropollutants (diclofenac – DFN, pentachlorophenol – PCP and octylphenol – OP on two kinds of carbon nanotubes (single walled carbon nanotubes – SWCNT and single walled carbon nanotubes with amine group – SWCNT-NH2 was investigated, in single and bicomponent solution at pH 5. SWCNT-NH2 had three times lower specific surface area than SWCNT. Significant differences were observed in sorption capacity of SWCNT and SWCNT-NH2 for given chemicals. The sorption uptake changes in the following order: OP > PCP > DFN for SWCNT and DFN > PCP > OP for SWCNT-NH2. A few times higher adsorption of OP on SWCNT came from low OP solubility in water in comparison to PCP and DFN. While, higher adsorption of DFN and PCP on SWCNT-NH2 was a result of electrostatic attraction between dissociated form of these chemicals and positively charged SWCNT-NH2 at pH 5. In adsorption from bicomponent solution, significant competition was observed between PCP and DFN due to similar adsorption mechanism on SWCNT-NH2. Opposite tendency was observed for SWCNT, DFN did not greatly affect adsorption of PCP and OP since they were very easily absorbable by sigma-sigma interaction.

  4. Immobilization of iodine in concrete

    International Nuclear Information System (INIS)

    Clark, W.E.; Thompson, C.T.

    1977-01-01

    A method for immobilizing fission product radioactive iodine recovered from irradiated nuclear fuel comprises combining material comprising water, Portland cement and about 3 to 20 wt percent iodine as Ba(IO 3 ) 2 to provide a fluid mixture and allowing the fluid mixture to harden, said Ba(IO 3 ) 2 comprising said radioactive iodine. An article for solid waste disposal comprises concrete prepared by this method. 10 claims, 2 figures

  5. MDCT angiography of the pulmonary arteries: intravascular contrast enhancement does not depend on iodine concentration when injecting equal amounts of iodine at standardized iodine delivery rates

    International Nuclear Information System (INIS)

    Keil, S.; Plumhans, C.; Behrendt, F.F.; Das, M.; Muehlenbruch, G.; Mahnken, A.H.; Guenther, R.W.; Stanzel, S.; Seidensticker, P.; Knackstedt, C.; Wildberger, J.E.

    2008-01-01

    To compare the impact of iodine concentration using two different contrast materials (CM) at standardized iodine delivery rate (IDR) and overall iodine load in 16-multidetector-row-CT-angiography (MDCTA) of the pulmonary arteries of 192 patients with known or suspected pulmonary embolism. One hundred three patients (group A) received 148 ml of a CM containing 300 mg iodine/ml (Ultravist 300 trademark, BayerScheringPharma) at a flow rate of 4.9 ml/s. Eighty-nine patients (group B) received 120 ml of a CM with a concentration of 370 mg iodine/ml (Ultravist370 trademark) at a flow rate of 4.0 ml/s, resulting in a standardized IDR (∝1.5 gI/s) and the same overall amount of iodine (44.4 g). Both CM injections were followed by a saline chaser. Mean density values were determined in the pulmonary trunk, the ascending and the descending aorta, respectively. Applying repeated-measures ANOVA, no statistically significant differences between both MDCTA protocols were found (p=0.5790): the mean density in the pulmonary trunk was 355±116 Hounsfield Units (group A) and 358±115 (group B). The corresponding values for the ascending and descending aorta were 295±79 (group A) and 284±65 (group B) as well as 272±71 and 262±70. In conclusion, the use of standardized IDR and overall iodine load provides comparable intravascular CM density in pulmonary 16-MDCTA for delivering contrast materials with different iodine concentrations. (orig.)

  6. Iodine in drinking water varies by more than 100-fold in Denmark. Importance for iodine content of infant formulas

    DEFF Research Database (Denmark)

    Pedersen, K M; Laurberg, P; Nøhr, S

    1999-01-01

    The iodine intake level of the population is of major importance for the occurrence of thyroid disorders in an area. The aim of the present study was to evaluate the importance of drinking water iodine content for the known regional differences in iodine intake in Denmark and for the iodine content...

  7. Immobilization of iodine in concrete

    Science.gov (United States)

    Clark, Walter E.; Thompson, Clarence T.

    1977-04-12

    A method for immobilizing fission product radioactive iodine recovered from irradiated nuclear fuel comprises combining material comprising water, Portland cement and about 3-20 wt. % iodine as Ba(IO.sub.3).sub.2 to provide a fluid mixture and allowing the fluid mixture to harden, said Ba(IO.sub.3).sub.2 comprising said radioactive iodine. An article for solid waste disposal comprises concrete prepared by this method. BACKGROUND OF THE INVENTION This invention was made in the course of, or under a contract with the Energy Research and Development Administration. It relates in general to reactor waste solidification and more specifically to the immobilization of fission product radioactive iodine recovered from irradiated nuclear fuel for underground storage.

  8. Risk of suboptimal iodine intake in pregnant Norwegian women.

    Science.gov (United States)

    Brantsæter, Anne Lise; Abel, Marianne Hope; Haugen, Margaretha; Meltzer, Helle Margrete

    2013-02-06

    Pregnant women and infants are exceptionally vulnerable to iodine deficiency. The aims of the present study were to estimate iodine intake, to investigate sources of iodine, to identify predictors of low or suboptimal iodine intake (defined as intakes below 100 μg/day and 150 μg/day) in a large population of pregnant Norwegian women and to evaluate iodine status in a sub-population. Iodine intake was calculated based on a validated Food Frequency Questionnaire in the Norwegian Mother and Child Cohort. The median iodine intake was 141 μg/day from food and 166 μg/day from food and supplements. Use of iodine-containing supplements was reported by 31.6%. The main source of iodine from food was dairy products, contributing 67% and 43% in non-supplement and iodine-supplement users, respectively. Of 61,904 women, 16.1% had iodine intake below 100 μg/day, 42.0% had iodine intake below 150 μg/day and only 21.7% reached the WHO/UNICEF/ICCIDD recommendation of 250 μg/day. Dietary behaviors associated with increased risk of low and suboptimal iodine intake were: no use of iodine-containing supplements and low intake of milk/yogurt, seafood and eggs. The median urinary iodine concentration measured in 119 participants (69 μg/L) confirmed insufficient iodine intake. Public health strategies are needed to improve and secure the iodine status of pregnant women in Norway.

  9. Weight, iodine content and iodine uptake of the thyroid gland of normal Japanese

    International Nuclear Information System (INIS)

    Yoshizawa, Yasuo; Kusama, Tomoko

    1976-01-01

    Various questions arise in the application of ICRP ''Standard Man'' values to Japanese. One of the questions is that ''Standard Man'' values of the thyroid are different from normal Japanese values. A systematic survey of past reports was carried out with a view to search for normal Japanese values of the thyroid. The subjects of search were weight, iodine content and iodine uptake rate (f sub(w)) of the thyroid. These are important factors in the estimation of the radiation dose of the thyroid caused by internal contamination of radioiodine, and are foreseen to have the difference between Japanese and ''Standard Man''. The result of study suggested that the weight of the thyroid of normal Japanese is about 19 g for adult male and about 17 g for adult female, and that the iodine content is 12-22 mg and iodine uptake rate (f sub(w)) is about 0.2. (auth.)

  10. Kinetics of protein adsorption/desorption mediated by pH-responsive polymer layer

    Science.gov (United States)

    Su, Xiao-Hang; Lei, Qun-Li; Ren, Chun-Lai

    2015-11-01

    We propose a new way of regulating protein adsorption by using a pH-responsive polymer. According to the theoretical results obtained from the molecular theory and kinetic approaches, both thermodynamics and kinetics of protein adsorption are verified to be well controlled by the solution pH. The kinetics and the amount of adsorbed proteins at equilibrium are greatly increased when the solution environment changes from acid to neutral. The reason is that the increased pH promotes the dissociation of the weak polyelectrolyte, resulting in more charged monomers and more stretched chains. Thus the steric repulsion within the polymer layer is weakened, which effectively lowers the barrier felt by the protein during the process of adsorption. Interestingly, we also find that the kinetics of protein desorption is almost unchanged with the variation of pH. It is because although the barrier formed by the polymer layer changes along with the change of pH, the potential at contact with the surface varies equally. Our results may provide useful insights into controllable protein adsorption/desorption in practical applications. Project supported by the National Natural Science Foundation of China (Grant Nos. 21274062, 11474155, and 91027040).

  11. Surface and Adsorption Properties of Activated Carbon Fabric Prepared from Cellulosic Polymer: Mixed Activation Method

    Energy Technology Data Exchange (ETDEWEB)

    Bhati, Surendra; Mahur, J. S.; Choubey, O. N. [Barkatullah Univ., Bhopal (India); Dixit, Mahur Savita [Maulana Azad National Institute of Technology, Bhopla (India)

    2013-02-15

    In this study, activated carbon fabric was prepared from a cellulose-based polymer (viscose rayon) via a combination of physical and chemical activation (mixed activation) processes by means of CO{sub 2} as a gasifying agent and surface and adsorption properties were evaluated. Experiments were performed to investigate the consequence of activation temperature (750, 800, 850 and 925 .deg. C), activation time (15, 30, 45 and 60 minutes) and CO{sub 2} flow rate (100, 200, 300 and 400 mL/min) on the surface and adsorption properties of ACF. The nitrogen adsorption isotherm at 77 K was measured and used for the determination of surface area, total pore volume, micropore volume, mesopore volume and pore size distribution using BET, t-plot, DR, BJH and DFT methods, respectively. It was observed that BET surface area and TPV increase with rising activation temperature and time due to the formation of new pores and the alteration of micropores into mesopores. It was also found that activation temperature dominantly affects the surface properties of ACF. The adsorption of iodine and CCl{sub 4} onto ACF was investigated and both were found to correlate with surface area.

  12. Surface and Adsorption Properties of Activated Carbon Fabric Prepared from Cellulosic Polymer: Mixed Activation Method

    International Nuclear Information System (INIS)

    Bhati, Surendra; Mahur, J. S.; Choubey, O. N.; Dixit, Mahur Savita

    2013-01-01

    In this study, activated carbon fabric was prepared from a cellulose-based polymer (viscose rayon) via a combination of physical and chemical activation (mixed activation) processes by means of CO 2 as a gasifying agent and surface and adsorption properties were evaluated. Experiments were performed to investigate the consequence of activation temperature (750, 800, 850 and 925 .deg. C), activation time (15, 30, 45 and 60 minutes) and CO 2 flow rate (100, 200, 300 and 400 mL/min) on the surface and adsorption properties of ACF. The nitrogen adsorption isotherm at 77 K was measured and used for the determination of surface area, total pore volume, micropore volume, mesopore volume and pore size distribution using BET, t-plot, DR, BJH and DFT methods, respectively. It was observed that BET surface area and TPV increase with rising activation temperature and time due to the formation of new pores and the alteration of micropores into mesopores. It was also found that activation temperature dominantly affects the surface properties of ACF. The adsorption of iodine and CCl 4 onto ACF was investigated and both were found to correlate with surface area

  13. Effectiveness and risks of stable iodine prophylaxis

    International Nuclear Information System (INIS)

    Waight, P.J.

    1995-01-01

    The factors upon which the efficacy of stable iodine prophylaxis depends are reviewed, with particular reference to the dose of stable iodine, the timing of the dose, the influence of dietary iodine and the impact of the other prospective actions. The risks of stable iodine ingestion are estimated, and their application to the principle of Justification in outlined. (Author)

  14. Aged anthropogenic iodine in a boreal peat bog

    International Nuclear Information System (INIS)

    Maillant, S.; Sheppard, M.I.; Denys, S.; Leclerc Cessac, E.

    2004-01-01

    Iodine-129 is a radionuclide of major concern in the international safety assessments for deep geological storage and disposal of nuclear waste because it migrates quickly through the geosphere to the biosphere and then from the soil to humans through the food-chain. However, in organic soils the 129 I may be immobilized over a long time period, and so these soils represent a potential accumulation point in the biosphere. Effects of long residence times of iodine in soils are scarce. The present paper gives some insight on the aging of stable iodine, under natural conditions. Stable iodine was introduced as KI in 1987 at the base of a small natural sphagnum bog to simulate arrival of iodine via a groundwater discharge from the geosphere. Previous data revealed the spread of the iodine outwards spatially from the basal spike and also recorded its rise towards the bog surface. Fifteen years later, the groundwater, the soil and the vegetation have been sampled and analyzed for iodine. The results we will present give insight on the mobility of 'aged' iodine with time, the retention properties of the peat, and provide iodine transfer factors for native boreal plant species. The data show iodine: - continues to slowly spread from the spike after 15 years, - is more strongly retained on the solid phase at the surface than at depth, - the chemical structure of the peat may influence the retention of iodine as shown by NMR analysis, - iodine retention has become greater with time, and - herbaceous species are the greatest accumulators. This study demonstrates bogs present good sinks for iodine and limit the transfer of iodine to some of the 'wildlife' food-chains. (author)

  15. Dissociation of trimethylgallium on the ZrB{sub 2}(0001) surface

    Energy Technology Data Exchange (ETDEWEB)

    Manandhar, Kedar; Trenary, Michael [Department of Chemistry, University of Illinois at Chicago, 845W Taylor St., Chicago, Illinois 60607 (United States); Otani, Shigeki [National Institute for Material Science, 1-1 Namiki, Tsukuba-shi, Ibaraki 305-0044 (Japan); Zapol, Peter [Materials Science Division, Argonne National Laboratory, 9700 S. Cass Ave., Argonne, Illinois 60439 (United States)

    2013-11-15

    X-ray photoelectron spectroscopy and reflection absorption infrared spectroscopy (RAIRS) have been used to study the dissociative adsorption of trimethylgallium (TMG) on the ZrB{sub 2}(0001) surface. Spectra were obtained as a function of annealing temperature following TMG exposure at temperatures of 95 and 300 K, and also as a function of TMG exposure for a surface temperature of 300 K. After annealing above 220 K, a significant decrease in the relative concentration of carbon and gallium occurred accompanied by a shift of ∼0.2 eV in the Ga 2p{sub 3/2} binding energy. The RAIR spectra show that after annealing to ∼220 K, only one CH{sub 3} deformation band at 1196 cm{sup −1} remains, the intensity of which is considerably decreased indicating loss of at least one methyl group from TMG. Further annealing leads to the sequential loss of the other methyl groups. The first methyl desorbs while the last two dissociate to deposit two C atoms per TMG molecule onto the ZrB{sub 2} surface.

  16. Iodine Contents in Baby Food Consumed in Japan

    Directory of Open Access Journals (Sweden)

    Yoshida M.

    2013-04-01

    Full Text Available To evaluate iodine intake in Japanese infants, iodine contents were determined in both commercial and homemade baby food samples consumed in Japan. Fifty-three samples of commercial bottled or retort baby food and 25 samples of homemade baby food for one day were collected and their iodine contents were determined by inductively coupled plasma mass spectrometry after an extraction with 0.5% tetramethylammonium hydroxide. Among the commercial baby food samples, 35 samples showed low iodine values ( 1000 ng/g wet weight. Significantly higher iodine values were observed in 15 samples composed of dishes cooked using kombu (a kind of kelp than other samples. Among the homemade baby food samples, 12 samples brought very low iodine intake (< 1- 24 μg/d, while 5 samples brought very high iodine intake (283-978 μg/d. These results indicate that intermittent high iodine baby food including dishes cooked using kombu contributes to sufficient iodine intake in Japanese infants.

  17. An assessment of the iodine status and the correlation between iodine nutrition and thyroid function during pregnancy in an iodine sufficient area.

    Science.gov (United States)

    Amouzegar, A; Khazan, M; Hedayati, M; Azizi, F

    2014-03-01

    Iodine as a micronutrient is mandatory for thyroid hormone production and inadequate iodine intakes during pregnancy may result in varying degrees of hypothyroidism affecting pregnancy outcomes adversely. The aim of this study was to evaluate nutritional status and its effects on thyroid function in pregnant women during all trimesters of pregnancy. In this cohort study, we assessed a total of 203 pregnant women in the first trimester of pregnancy and followed them in the second and third trimesters. They were divided into two groups, group I with urinary iodine excretion (UIE) pregnancy, respectively; UIEpregnancy, respectively. The median (range) of TSH was 1.7 (0.9-2.7) mIU/l, 1.9(1.2-2.7) mIU/l and 1.8 (1.1-2.8) mIU/l in the three trimesters of pregnancy, respectively. There was no correlation between UIE, TSH, TT4, FT4I, T3 and TPOAb in the first and second trimesters, but there was a weak correlation between UIE, TSH, T3 and TgAb in the third trimester. In our cohort of pregnant women the iodine intakes were sufficient, and no correlation between urinary iodine concentration and thyroid function tests was found.

  18. The co-occurrence of PTSD and dissociation: differentiating severe PTSD from dissociative-PTSD.

    Science.gov (United States)

    Armour, Cherie; Karstoft, Karen-Inge; Richardson, J Don

    2014-08-01

    A dissociative-posttraumatic stress disorder (PTSD) subtype has been included in the DSM-5. However, it is not yet clear whether certain socio-demographic characteristics or psychological/clinical constructs such as comorbid psychopathology differentiate between severe PTSD and dissociative-PTSD. The current study investigated the existence of a dissociative-PTSD subtype and explored whether a number of trauma and clinical covariates could differentiate between severe PTSD alone and dissociative-PTSD. The current study utilized a sample of 432 treatment seeking Canadian military veterans. Participants were assessed with the Clinician Administered PTSD Scale (CAPS) and self-report measures of traumatic life events, depression, and anxiety. CAPS severity scores were created reflecting the sum of the frequency and intensity items from each of the 17 PTSD and 3 dissociation items. The CAPS severity scores were used as indicators in a latent profile analysis (LPA) to investigate the existence of a dissociative-PTSD subtype. Subsequently, several covariates were added to the model to explore differences between severe PTSD alone and dissociative-PTSD. The LPA identified five classes: one of which constituted a severe PTSD group (30.5 %), and one of which constituted a dissociative-PTSD group (13.7 %). None of the included, demographic, trauma, or clinical covariates were significantly predictive of membership in the dissociative-PTSD group compared to the severe PTSD group. In conclusion, a significant proportion of individuals report high levels of dissociation alongside their PTSD, which constitutes a dissociative-PTSD subtype. Further investigation is needed to identify which factors may increase or decrease the likelihood of membership in a dissociative-PTSD subtype group compared to a severe PTSD only group.

  19. The Impact of Carrot Enriched in Iodine through Soil Fertilization on Iodine Concentration and Selected Biochemical Parameters in Wistar Rats

    Science.gov (United States)

    Piątkowska, Ewa; Kopeć, Aneta; Bieżanowska-Kopeć, Renata; Pysz, Mirosław; Kapusta-Duch, Joanna; Koronowicz, Aneta Agnieszka; Smoleń, Sylwester; Skoczylas, Łukasz; Ledwożyw-Smoleń, Iwona; Rakoczy, Roksana; Maślak, Edyta

    2016-01-01

    Iodine is one of the trace elements which are essential for mammalian life. The major objective of iodine biofortification of plants is to obtain food rich in this trace element, which may increase its consumption by various populations. Additionally, it may reduce the risk of iodine deficiency diseases. In this research for the first time we have assessed the bioavailability of iodine from raw or cooked carrot biofortified with this trace element on iodine concentration in selected tissues and various biochemical parameters as well as mRNA expression of some genes involved in iodine metabolism in Wistar rats. Statistically, a significantly higher iodine level was determined in urine, faeces and selected tissues of rats fed a diet containing biofortified raw carrot as compared to a diet without iodine and a diet containing control cooked carrot. Biofortified raw carrot significantly increased triiodothyronine concentration as compared to animals from other experimental groups. The highest thyroid stimulating hormone level was determined in rats fed control cooked carrots. mRNA expression of selected genes was affected by different dietary treatment in rats’ hearts. Biofortified raw and cooked carrot could be taken into account as a potential source of iodine in daily diets to prevent iodine deficiency in various populations. PMID:27043135

  20. Criteria for safe working with iodine-125

    International Nuclear Information System (INIS)

    Linsley, G.S.

    1977-01-01

    Radio-immunoassay and other saturation assay tests involving the use of iodine-125 are finding wide application for the determination of hormone concentrations in biological fluids. In such tests, iodinations involving concentrations of a milli-curie per micro-litre are common. Iodine-125 presents a problem from the monitoring standpoint because of its low energy photon emission (27 and 35 keV). Iodine is preferentially taken up by the thyroid gland and work involving moderate amounts of radio-iodine may give rise to a significant hazard in an accident situation. The general precautions which should be taken in work with unsealed radioactive substances are briefly summarized, working limits for iodine-125 are identified, and methods of personal protection and monitoring in an emergency situation described. (author)

  1. The placenta as a compensatory iodine storage organ.

    LENUS (Irish Health Repository)

    Burns, Robert

    2011-05-01

    The production of iodine-containing thyroid hormones necessary for brain development in the fetus depends not only on maternal dietary intake but also on placental iodine transport. The optimum level of iodine nutrition during pregnancy and the proportion of the pregnant population reaching this level have previously been evaluated. Little information exists on the ability of the placenta to either accumulate or store iodine. This study aims to investigate iodine uptake and tissue iodine content within placental tissue obtained from women delivering at term.

  2. Hygienic assessment of radioactive iodine isotopes

    International Nuclear Information System (INIS)

    Vasilenko, I.Ya.

    1987-01-01

    Sources of radioactive iodine isotopes and their biological significance depending on the way of intake are discussed. The degree of food contamination by radioactive iodine as well as products, which serve as the source of its intake into the human body, and results of their processing are considered. The danger of radioactive iodine intake by different groups of population as well as thyroid irradiation effects are discussed. Description of activities, directed to the human body protection against radioactive iodine and assessment of these protection measures efficiency is presented

  3. Iodine

    Science.gov (United States)

    ... leg ulcers and reduce the chance of a future infection. Conjunctivitis (pinkeye). Research suggests that using eye ... National Institute of Medicine has set Adequate Intake (AI) of iodine for infants: 0 to 6 months, ...

  4. Adsorption and activation of methane and methanol on Pt(100) surface: a density functional study; Adsorption et activation du methane et du methanol sur la surface (100) du platine: une etude par la fonctionnelle de la densite

    Energy Technology Data Exchange (ETDEWEB)

    Moussounda, P.S

    2006-11-15

    The activation of methane (CH{sub 4}) and methanol (CH{sub 3}OH) on Pt(100) surface has been investigated using density functional theory calculations based on plane-wave basis and pseudo-potential. We optimised CH{sub 4}/Pt(100) system. The calculated adsorption energies over the top, bridge and hollow sites are small, weakly dependent on the molecular orientation. The nature of the CH{sub 4}-Pt interaction was examined through the electronic structure changes. The adsorption of methyl (CH{sub 3}) and hydrogen (H) and the co-adsorption of CH{sub 3}+H were also calculated. From these results, we examined the dissociation of CH{sub 4} to CH{sub 3}+H, and the activation energies found are in good agreement with the experimental and theoretical values. The activation of CH{sub 3}OH/Pt(100) has been studied. All the sites have almost the same adsorption energy. The adsorption of oxygen (O) and the co-adsorption of CH{sub 4} and O were also examined. In addition, the formation of CH{sub 3}OH assuming a one-step mechanism step via the co-adsorption of CH{sub 4}+O has been studied and the barrier height was found to be high. (authors)

  5. Generation of atomic iodine via fluorine for chemical oxygen-iodine laser

    Czech Academy of Sciences Publication Activity Database

    Jirásek, Vít; Špalek, Otomar; Čenský, Miroslav; Picková, Irena; Kodymová, Jarmila; Jakubec, Ivo

    2007-01-01

    Roč. 334, - (2007), s. 167-174 ISSN 0301-0104 R&D Projects: GA ČR GA202/05/0359 Grant - others:USAF European Office for Research and Development(XE) FA 8655-05-M-4027 Institutional research plan: CEZ:AV0Z10100523; CEZ:AV0Z40320502 Keywords : atomic iodine * atomic fluorine * chemical oxygen-iodine laser Subject RIV: BH - Optics, Masers, Lasers Impact factor: 1.805, year: 2007

  6. Experimental and analytical studies of iodine mass transfer from xenon-iodine mixed gas bubble to liquid sodium pool

    International Nuclear Information System (INIS)

    Miyahara, S.; Sagawa, N.; Shimoyama, K.

    1996-01-01

    In the fuel pin failure accident of a liquid metal fast reactor, volatile fission products play an important role in the assessment of radiological consequences. Especially the radioisotopes of elemental iodine are important because of their high volatility and of the low permissible dose to human thyroid. The released iodines are known to be retained in the coolant sodium as sodium iodide due to the chemical affinity between alkali metals and halogens. However, the xenon and krypton released with iodines into the sodium pool as bubbles may influence the reaction rate of iodine with sodium during the bubble rising. So far, the only few experimental results have been available concerning the decontamination factor (DF: the ratio of the initial iodine mass in the mixed gas bubble to the released mass into the cover gas) of iodine in this phenomenon. Therefore, experimental and analytical studies were carried out to study the mass transfer of iodine from a xenon-iodine mixed gas bubble to the liquid sodium pool. In the experiments, the bubble was generated in the sodium pool by cracking a quartz ball which contains the xenon-iodine mixed gas and then, the mixed gas released into the argon cover gas was collected to determine the transferred iodine mass into the pool. A rising velocity of the bubble was measured by Chen-type void sensors arranged vertically in the pool. From the measured rising velocity and another observation of bubble behavior in simulated water experiments, it is found that the generated bubble breaks up into several smaller bubbles of spherical cap type during the rising period. Transferred iodine mass per unit initial bubble volume from the bubble to the sodium pool shows increases with increasing time and the initial iodine concentration. A mass transfer rate obtained by differentiating the transferred iodine mass with respect to the time indicates a rapid decrease just after the bubble generation and a slow decrease for the successive period

  7. A Review: Radiographic Iodinated Contrast Media-Induced Thyroid Dysfunction

    Science.gov (United States)

    Leung, Angela M.; Braverman, Lewis E.; Brent, Gregory A.; Pearce, Elizabeth N.

    2015-01-01

    Context: Thyroid hormone production is dependent on adequate iodine intake. Excess iodine is generally well-tolerated, but thyroid dysfunction can occur in susceptible individuals after excess iodine exposure. Radiological iodinated contrast media represent an increasingly common source of excess iodine. Objective: This review will discuss the thyroidal response after acute exposure to excess iodine; contrast iodine-induced thyroid dysfunction; risks of iodine-induced thyroid dysfunction in vulnerable populations, such as the fetus, neonate, and patients with impaired renal function; and recommendations for the assessment and treatment of contrast iodine-induced thyroid dysfunction. Methods: Data for this review were identified by searching PubMed, Google Scholar, and references from relevant articles from 1948 to 2014. Conclusions: With the increase in the use of computed tomography scans in the United States, there is increasing risk of contrast-induced thyroid dysfunction. Patients at risk of developing iodine-induced thyroid dysfunction should be closely monitored after receiving iodinated contrast media and should be treated as needed. PMID:25375985

  8. Iodine nutritional status in Asturian schoolchildren.

    Science.gov (United States)

    Riestra Fernández, María; Menéndez Torre, Edelmiro; Díaz Cadórniga, Francisco; Fernández Fernández, Juan Carlos; Delgado Álvarez, Elías

    2017-11-01

    Iodine deficiency is a public health problem, and iodine nutritional status should therefore be regularly measured. To ascertain iodine nutritional status in Asturias and its relation to use of iodized salt and to other sociodemographic and nutritional parameters. A descriptive, observational study was conducted in a random sample of schoolchildren aged 5 to 14 years, in whom urinary iodine levels were measured by high-performance liquid chromatography. Families completed a survey on use of iodized salt, consumption of dairy products and fish, and sociodemographic data. The study sample consisted of 705 schoolchildren (51.1% females) with a mean age of 9.9 years (SD 2.6). In a total of 620 valid measurements, mean urinary iodine level was 204.1 μg/L (SD 120.6), while the median value was 180.7 μg/L (P 25 -P 75 : 124-252.3 μg/L, interquartile range 128.3 μg/L). Urinary iodine levels were y SED. Publicado por Elsevier España, S.L.U. All rights reserved.

  9. Milk Iodine Content in Slovakia

    Directory of Open Access Journals (Sweden)

    I. Paulíková

    2008-01-01

    Full Text Available The aim of this work was to map actual iodine status and its seasonal differences in raw milk of dairy cows, sheep, and goats in various regions of Slovakia. Iodine concentrations were determined in 457 samples of raw milk from dairy cows, 78 samples of sheep, and 16 samples of goat milk collected in various regions of Slovakia from 2002 to 2007. Among all the 457 samples of bovine milk, iodine content below 50 μg l-1 was recorded in 114 samples (24.94%; 294 samples (64.33% ranged between 50 and 200 μg l-1; 19 samples (4.16% from 200 to 500 μg l-1; 17 samples (3.72% between 500 and 1 000 μg l-1, and 13 samples (2.85% showed iodine concentrations over 1 000 μg l-1. regional concentrations showed the highest values in the Western, then Middle and Eastern Slovakia, and the lowest values in Northern Slovakia (p p -1 in 49 sheep (62.8% and in 6 goats below 60 μg l-1 (37.5%, which are indicative of iodine deficiency. When comparing seasonal differences, sheep and goat milk had higher iodine content during the winter feeding period, however, in dairy cows we recorded the opposite ratio. Except for goat milk (p < 0.01 the seasonal differences were not significant.

  10. Global iodine nutrition: Where do we stand in 2013?

    Science.gov (United States)

    Pearce, Elizabeth N; Andersson, Maria; Zimmermann, Michael B

    2013-05-01

    Dietary iodine intake is required for the production of thyroid hormone. Consequences of iodine deficiency include goiter, intellectual impairments, growth retardation, neonatal hypothyroidism, and increased pregnancy loss and infant mortality. In 1990, the United Nations World Summit for Children established the goal of eliminating iodine deficiency worldwide. Considerable progress has since been achieved, largely through programs of universal salt iodization. Approximately 70% of all households worldwide currently have access to adequately iodized salt. In 2013, as defined by a national or subnational median urinary iodine concentration of 100-299 μg/L in school-aged children, 111 countries have sufficient iodine intake. Thirty countries remain iodine-deficient; 9 are moderately deficient, 21 are mildly deficient, and none are currently considered severely iodine-deficient. Ten countries have excessive iodine intake. In North America, both the United States and Canada are generally iodine-sufficient, although recent data suggest pregnant U.S. women are mildly iodine-deficient. Emerging issues include discrepancies between urinary iodine status in pregnant women compared to school-aged children in some populations, the problem of re-emerging iodine deficiency in parts of the developed world, the importance of food industry use of iodized salt, regions of iodine excess, and the potential effects of initiatives to lower population sodium consumption on iodine intake. Although substantial progress has been made over the last several decades, iodine deficiency remains a significant health problem worldwide and affects both industrialized and developing nations. The ongoing monitoring of population iodine status remains crucially important, and particular attention may need to be paid to monitoring the status of vulnerable populations, such as pregnant women and infants. There is also need for ongoing monitoring of iodized salt and other dietary iodine sources in

  11. The retention of iodine by iodine filters in nuclear power plants in the case of fire

    International Nuclear Information System (INIS)

    Giraud, V.

    1985-01-01

    Due to the liberation of considerable amounts of gaseous combustion products, fires in nuclear power plants may lead to a deterioration in the retention of radioiodine by iodine filters. The combustion products of the burnable materials, i.e., insulations, lubricants and paints, vary considerably with the development of the fire. Combustion product analyses of these materials have been performed only to a limited extent. The reaction of iodine with combustion products as well as the retention of the resulting iodine reaction products by sorbents have not yet been investigated. The reduction in the removal efficiencies of iodine sorbents due to the presence of combustion products is unknown. (orig.) [de

  12. Radioactive Iodine (I-131) Therapy for Hyperthyroidism

    Science.gov (United States)

    ... Physician Resources Professions Site Index A-Z Radioactive Iodine (I-131) Therapy Radioiodine therapy is a nuclear ... thyroid cancer. When a small dose of radioactive iodine I-131 (an isotope of iodine that emits ...

  13. Dissociation in Psychiatric Disorders: A Meta-Analysis of Studies Using the Dissociative Experiences Scale.

    Science.gov (United States)

    Lyssenko, Lisa; Schmahl, Christian; Bockhacker, Laura; Vonderlin, Ruben; Bohus, Martin; Kleindienst, Nikolaus

    2018-01-01

    Dissociation is a complex, ubiquitous construct in psychopathology. Symptoms of dissociation are present in a variety of mental disorders and have been connected to higher burden of illness and poorer treatment response, and not only in disorders with high levels of dissociation. This meta-analysis offers a systematic and evidence-based study of the prevalence and distribution of dissociation, as assessed by the Dissociative Experiences Scale, within different categories of mental disorders, and it updates an earlier meta-analysis. More than 1,900 original publications were screened, and 216 were included in the meta-analysis, comprising 15,219 individuals in 19 diagnostic categories. The largest mean dissociation scores were found in dissociative disorders (mean scores >35), followed by posttraumatic stress disorder, borderline personality disorder, and conversion disorder (mean scores >25). Somatic symptom disorder, substance-related and addictive disorders, feeding and eating disorders, schizophrenia, anxiety disorder, OCD, and most affective disorders also showed mean dissociation scores >15. Bipolar disorders yielded the lowest dissociation scores (mean score, 14.8). The findings underline the importance of careful psychopathological assessment of dissociative symptoms in the entire range of mental disorders.

  14. Mission and System Advantages of Iodine Hall Thrusters

    Science.gov (United States)

    Dankanich, John W.; Szabo, James; Pote, Bruce; Oleson, Steve; Kamhawi, Hani

    2014-01-01

    The exploration of alternative propellants for Hall thrusters continues to be of interest to the community. Investments have been made and continue for the maturation of iodine based Hall thrusters. Iodine testing has shown comparable performance to xenon. However, iodine has a higher storage density and resulting higher ?V capability for volume constrained systems. Iodine's vapor pressure is low enough to permit low-pressure storage, but high enough to minimize potential adverse spacecraft-thruster interactions. The low vapor pressure also means that iodine does not condense inside the thruster at ordinary operating temperatures. Iodine is safe, it stores at sub-atmospheric pressure, and can be stored unregulated for years on end; whether on the ground or on orbit. Iodine fills a niche for both low power (10kW) electric propulsion regimes. A range of missions have been evaluated for direct comparison of Iodine and Xenon options. The results show advantages of iodine Hall systems for both small and microsatellite application and for very large exploration class missions.

  15. The behaviour of iodine in the terrestrial environment

    International Nuclear Information System (INIS)

    Christiansen, J.V.

    1990-02-01

    Literature on the geochemistry of iodine is surveyed, focusing on fundamental chemical aspects which influence the migration behaviour of iodine in the terrestrial environment. It is stated that the organic fraction in soil plays the predominant role in the retention of iodine. Simple aromatic molecules serve as simple models for humic acid, and humic acid is iodinated catalyzed by haloperoxidases. The enzymatically controlled iodination of humic acid is described in detail and it is demonstrated that the results may reflect a kind of equilibrium. It is shown that soil extracts are able to catalyze the iodination of humic acid and it is suggested that extracellular peroxidases in soil are reponsible for the reaction. The enzymatically controlled iodination of humic acid is discussed and some considerations about the influence on the migration of iodine in the terrestrial environment are given. (author) 4 tabs., 26 ills., 82 refs

  16. Contrast induced hyperthyroidism due to iodine excess

    OpenAIRE

    Mushtaq, Usman; Price, Timothy; Laddipeerla, Narsing; Townsend, Amanda; Broadbridge, Vy

    2009-01-01

    Iodine induced hyperthyroidism is a thyrotoxic condition caused by exposure to excessive iodine. Historically this type of hyperthyroidism has been described in areas of iodine deficiency. With advances in medicine, iodine induced hyperthyroidism has been observed following the use of drugs containing iodine—for example, amiodarone, and contrast agents used in radiological imaging. In elderly patients it is frequently difficult to diagnose and control contrast related hyperthyroidism, as most...

  17. Adsorption of H atoms on cubic Er2O3 (0 0 1) surface: A DFT study

    International Nuclear Information System (INIS)

    Mao, Wei; Chikada, Takumi; Shimura, Kenichiro; Suzuki, Akihiro; Yamaguchi, Kenji; Terai, Takayuki

    2013-01-01

    First-principles plane wave calculations based on spin-polarized density functional theory (DFT) and generalized gradient approximation (GGA) have been used to study the adsorption of H atoms on cubic Er 2 O 3 (0 0 1) surface. We identify stable adsorption positions and find that H preferentially adsorbs on top of fourfold-hollow sites and transfers electrons to the surface, resulting in the formations of covalent bonds to the nearest neighboring four oxygen atoms. In the most energetically favorable adsorption sites, It was found that H bonds with O atoms at the cubic Er 2 O 3 (0 0 1) surface with an adsorption energy of −295.68 kJ mol −1 at coverage 1/8 ML, and the adsorption energy is inclined to decrease with the increase of H coverage (>1/4 ML). In addition, our calculations indicate that the dissociative H atom configurations have adsorption energies that are at least 152.64 kJ mol −1 greater than the H 2 molecule configurations on the surface. These results discussed in the context of erbium oxide slabs are employed to rationalize some processes regarding to the hydrogen isotope permeation behavior of tritium permeation barrier

  18. The elementary steps of the photodissociation and recombination reactions of iodine molecules enclosed in cages and channels of zeolite crystals: A femtosecond time-resolved study of the geometry effect

    International Nuclear Information System (INIS)

    Flachenecker, G.; Materny, A.

    2004-01-01

    We present femtosecond time-resolved pump-probe experiments on iodine molecules enclosed into well-defined cages and channels of different crystalline SiO 2 modifications of zeolites. The new experimental results obtained from iodine in TON (Silica-ZSM-22), FER (Silica-Ferrierit), and MFI (Silicalit-1) porosils are compared with data published earlier on the iodine/DDR (Decadodecasil 3R) porosil system [Flachenecker et al., Phys. Chem. Chem. Phys. 5, 865 (2003)]. A summary of all findings is given. The processes analyzed by means of the ultrafast spectroscopy are the vibrational relaxation as well as the dissociation and recombination reactions, which are caused by the interaction of the photo-excited iodine molecules with the cavity walls of the porosils. A clear dependence of the observed dynamics on the geometry of the surrounding lattice structure can be seen. These measurements are supported by temperature-dependent experiments. Making use of a theoretical model which is based on the classical Langevin equation, an analysis of the geometry-reaction relation is performed. The Brownian dynamics simulations show that in contrast to the vibrational relaxation the predissociation dynamics are independent of the frequency of collisions with the surroundings. From the results obtained in the different surroundings, we conclude that mainly local fields are responsible for the crossing from the bound B state to the repulsive a/a ' states of the iodine molecules

  19. Maternal urinary iodine concentration in pregnancy and children's cognition: results from a population-based birth cohort in an iodine-sufficient area

    NARCIS (Netherlands)

    Ghassabian, A.; Steenweg- de Graaff, J.; Peeters, R.P.; Ross, H.A.; Jaddoe, V.W.; Hofman, A.; Verhulst, F.C.; White, T.; Tiemeier, H.

    2014-01-01

    OBJECTIVE: Reports from populations with an insufficient iodine intake suggest that children of mothers with mild iodine deficiency during pregnancy are at risk for cognitive impairments. However, it is unknown whether, even in iodine-sufficient areas, low levels of iodine intake occur that

  20. IODINE CONTENT OF ENTERAL AND PARENTERAL NUTRITION SOLUTIONS.

    Science.gov (United States)

    Willard, Devina L; Young, Lorraine S; He, Xuemei; Braverman, Lewis E; Pearce, Elizabeth N

    2017-07-01

    Iodine is essential for thyroid hormone synthesis, and iodine deficiency may result in thyroid disorders including goiter and hypothyroidism. Patients on long-term enteral nutrition (EN) or parenteral nutrition (PN) may be at risk for micronutrient deficiencies. The recommended daily allowance for iodine intake is 150 μg for nonpregnant adults. However, there is no current consensus among scientific societies regarding the quantity of iodine to be added in adult EN and PN formulations. The objective of this study was to determine the iodine content of U.S. adult enteral and parenteral nutrition solutions. This study also aimed to determine whether adult patients in the United States who are receiving long-term artificial nutrition may be at risk for iodine deficiency. Ten enteral nutrition solutions and 4 parenteral nutrition solutions were evaluated. The iodine contents of these solutions were measured spectrophotometrically and compared to the labeled contents. Measured and labeled EN iodine contents were similar (range 131-176 μg/L and 106-160 μg/L, respectively). In contrast, PN formulas were found to contain small, unlabeled amounts of iodine, averaging 27 μg/L. Typical fluid requirements are 30 to 40 mL/kg/day for adults receiving either total EN (TEN) or total PN (TPN). Adults on long-term TEN likely consume enough servings to meet their daily iodine requirements. However, patients on long-term TPN would require on average 5.6 L PN/day to meet the recommended daily allowance of iodine. This volume of PN is far in excess of typical consumption. Thus, U.S. patients requiring long-term TPN may be at risk for iodine deficiency. EN = enteral nutrition; PN = parenteral nutrition; TEN = total enteral nutrition; TPN = total parenteral nutrition; UIC = urinary iodine concentration.

  1. Current iodine nutrition status and progress toward elimination of iodine deficiency disorders in Jazan, Saudi Arabia

    Directory of Open Access Journals (Sweden)

    Alsanosy Rashad Mohammed

    2012-11-01

    Full Text Available Abstract Background The term iodine deficiency disorders (IDD refers to all the effects of iodine deficiency on growth and development in human and animal populations that can be prevented by correction of the iodine deficiency. The objective of this paper was to determine the iodine nutrition status among schoolchildren in the Jazan Region of the Kingdom of Saudi Arabia (KSA, by measuring urinary iodine concentrations and by clinical assessments of goiter rate. Methods A school-based cross-sectional survey was conducted in the Jazan region of southwestern KSA from May to November 2010. A total of 311 children, aged 6–13 years, drawn from 12 schools, were selected by a three-stage cluster random sampling method. Data on sociodemographic characteristics were collected using a structured questionnaire. Urine samples were collected and physical examinations were conducted to determine the presence or absence of goiter. Data were analyzed using SPSS version 17.0. Chi square and independent t-tests were used for proportions and mean comparisons between groups. Results Out of 360 selected children, 311 were examined. There were 131 males (42% and 180 females (58%. The median urinary iodine concentration (UIC of the study group was 421 μg/L. The study population proportion with UIC > 300 μg/L was 74% with a higher proportion among males and urban populations. The proportion of children with UIC of 100–300 μg/L was only 21% and was significantly higher among females compared with males (p Conclusions The present study demonstrates a remarkable achievement in Universal Salt Iodization (USI and IDD elimination goals in the Jazan area. However, UIC levels reflect excessive iodine intake and may put the population at risk of adverse health consequences like iodine-induced hyperthyroidism and autoimmune thyroid diseases.

  2. DFT study on stability and H{sub 2} adsorption activity of bimetallic Au{sub 79−n}Pd{sub n} (n = 1–55) clusters

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Xuejing [State Key Laboratory of Fine Chemicals, Dalian University of Technology, Dalian 116024 (China); Tian, Dongxu, E-mail: tiandx@dlut.edu.cn [State Key Laboratory of Fine Chemicals, Dalian University of Technology, Dalian 116024 (China); Meng, Changgong [State Key Laboratory of Fine Chemicals, Dalian University of Technology, Dalian 116024 (China)

    2013-03-29

    Highlights: ► Stability of Pd substitution type is face > mid-edge > corner > edge. ► H{sub 2} adsorption activity is in contrast with the stability of Pd substitution type. ► Non-activated dissociation of H{sub 2} occurs in Au{sub 36}Pd{sub 43−3} with high thermal stability. ► ε{sub d} agrees with that Pd at edge and corner are more active than face and mid-edge. - Abstract: The stability and H{sub 2} adsorption activity of bimetallic Au{sub 79−n}Pd{sub n} (n = 1–55) clusters were studied by density functional theory with GGA-PW91 functional. The stability order for four Pd substitution types is face > mid-edge > corner > edge, and the stability is improved with increasing Pd content. In contrast with the stability order, H{sub 2} adsorption activity is corner ≈ edge > mid-edge > face. The Au{sub 36}Pd{sub 43} (3) with Au:Pd ≈ 1:1 ratio and twenty-four Pd substitutions at (1 1 1) facets and nineteen Pd substitutions at subshell sites shows high stability and H{sub 2} non-activated dissociation activity. The partial density of d-states and d band center revealed that the electronic properties are closely associated with the geometric characteristic and adsorption activity. Correlating the d band center ε{sub d} and the adsorption energies, the ε{sub d} order agrees with the adsorption activity that the Pd substitution at edge and corner sites are more active than at face and mid-edge sites.

  3. Consensus statement on iodine deficiency disorders in Hong Kong.

    Science.gov (United States)

    But, Betty; Chan, C W; Chan, Fredriech; Chan, K W; Cheng, Anna W F; Cheung, Patrick; Choi, K L; Chow, C B; Chow, Francis C C; Eastman, Creswell; Fok, T F; Fung, L M; Gomes, Cynthia; Huen, K F; Ip, T P; Kung, Annie W C; Lam, Karen S L; Lam, Y Y; Lao, Terence; Lee, C Y; Lee, K F; Leung, Jenny; Leung, N K; Li, Dominic; Li, June; Lo, K W; Lo, Louis; Ng, K L; Siu, S C; Tam, Sidney; Tan, Kathryn C B; Tiu, S C; Tse, H Y; Tse, Winnie; Wong, Gary; Wong, Shell; Wong, William; Yeung, Vincent T F; Young, Rosie; Yu, C M; Yu, Richard

    2003-12-01

    This article reviews the available data on the study of iodine deficiency disorders in Hong Kong and to discuss the approach towards preventing such disorders in Hong Kong. The importance of iodine and iodine deficiency disorders is described, and the available data on the dietary iodine intake and urinary iodine concentration in different populations of Hong Kong are summarised and discussed. Dietary iodine insufficiency among pregnant women in Hong Kong is associated with maternal goitrogenesis and hypothyroxinaemia as well as neonatal hypothyroidism. Borderline iodine deficiency exists in the expectant mothers in Hong Kong. Women of reproductive age, and pregnant and lactating women should be made aware and educated to have an adequate iodine intake, such as iodised salt, as an interim measure. A steering group involving all stakeholders should be formed to advise on the strategy of ensuring adequate iodine intake, including universal iodisation of salt in Hong Kong. Continuous surveillance of iodine status in the Hong Kong population is necessary.

  4. Adsorption of methane and CO2 onto olivine surfaces in Martian dust conditions

    Science.gov (United States)

    Escamilla-Roa, Elizabeth; Martin-Torres, Javier; Sainz-Díaz, C. Ignacio

    2018-04-01

    Methane has been detected on all planets of our Solar System, and most of the larger moons, as well as in dwarf-planets like Pluto and Eric. The presence of this molecule in rocky planets is very interesting because its presence in the Earth's atmosphere is mainly related to biotic processes. Space instrumentation in orbiters around Mars has detected olivine on the Martian soil and dust. On the other hand the measurements of methane from the Curiosity rover report detection of background levels of atmospheric methane with abundance that is lower than model estimates of ultraviolet degradation of accreted interplanetary dust particles or carbonaceous chondrite material. Additionally, elevated levels of methane about this background have been observed implying that Mars is episodically producing methane from an additional unknown source, making the reasons of these temporal fluctuations of methane a hot topic in planetary research. The goal of this study is to investigate at atomic level the interactions during the adsorption processes of methane and other Mars atmospheric species (CO2, H2O) on forsterite surfaces, through electronic structure calculations based on the Density Functional Theory (DFT). We propose two models to simulate the interaction of adsorbates with the surface of dust mineral, such as binary mixtures (5CH4+5H2O/5CH4+5CO2) and as a semi-clathrate adsorption. We have obtained interesting results of the adsorption process in the mixture 5CH4+5CO2. Associative and dissociative adsorptions were observed for water and CO2 molecules. The methane molecules were only trapped and held by water or CO2 molecules. In the dipolar surface, the adsorption of CO2 molecules produced new species: one CO from a CO2 dissociation, and, two CO2 molecules chemisorbed to mineral surface forming in one case a carbonate group. Our results suggest that CO2 has a strong interaction with the mineral surface when methane is present. These results could be confirmed after the

  5. Systematic review using meta-analyses to estimate dose-response relationships between iodine intake and biomarkers of iodine status in different population groups.

    Science.gov (United States)

    Ristić-Medić, Danijela; Dullemeijer, Carla; Tepsić, Jasna; Petrović-Oggiano, Gordana; Popović, Tamara; Arsić, Aleksandra; Glibetić, Marija; Souverein, Olga W; Collings, Rachel; Cavelaars, Adriënne; de Groot, Lisette; van't Veer, Pieter; Gurinović, Mirjana

    2014-03-01

    The objective of this systematic review was to identify studies investigating iodine intake and biomarkers of iodine status, to assess the data of the selected studies, and to estimate dose-response relationships using meta-analysis. All randomized controlled trials, prospective cohort studies, nested case-control studies, and cross-sectional studies that supplied or measured dietary iodine and measured iodine biomarkers were included. The overall pooled regression coefficient (β) and the standard error of β were calculated by random-effects meta-analysis on a double-log scale, using the calculated intake-status regression coefficient (β) for each individual study. The results of pooled randomized controlled trials indicated that the doubling of dietary iodine intake increased urinary iodine concentrations by 14% in children and adolescents, by 57% in adults and the elderly, and by 81% in pregnant women. The dose-response relationship between iodine intake and biomarkers of iodine status indicated a 12% decrease in thyroid-stimulating hormone and a 31% decrease in thyroglobulin in pregnant women. The model of dose-response quantification used to describe the relationship between iodine intake and biomarkers of iodine status may be useful for providing complementary evidence to support recommendations for iodine intake in different population groups.

  6. Linearity and Reversibility of Iodide Adsorption on Sediments from Hanford, Washington Under Water Saturated Conditions

    International Nuclear Information System (INIS)

    Um, Wooyong; Serne, R. Jeffrey; Krupka, Kenneth M.

    2004-01-01

    A series of adsorption and desorption experiments were completed to determine the linearity of iodide adsorption, as a function of concentration, and its reversibility onto sediment for geochemical conditions germane to the proposed disposal of low-level radioactive waste by the U.S. Department of Energy's Immobilized Low Activity Waste (ILAW) program at the Hanford Site in southeastern Washington. Iodine-129 is predicted to be one of the top three long-term risk drivers based on past performance assessment conducted for the eventual disposal of the low-level portion of radioactive wastes currently stored in underground storage tanks at Hanford, because iodide exhibits little adsorption affinity to mineral surfaces resulting in high mobility in the subsurface environment. Adsorption experiments, conducted with Hanford formation sediments and groundwater spiked with dissolved 125I (as an analog tracer for 129I), indicated that iodide adsorption was very low at pH 7.5 and could be represented by a linear isotherm up to a total concentration of 100 mg/L dissolved iodide. The linearity of iodide adsorption up to concentrations of 100 mg/L validates the use of the linear Kd construct in transport models to predict the fate and transport of 129I in subsurface systems at Hanford. The results of desorption experiments indicated that up to 60% of adsorbed iodide was readily desorbed after 14 days by the same groundwater solution. Iodide adsorption was considered to be partially reversible or weakly binding on the sediments. Even though small amount of initial iodide is retarded by adsorption reactions at mineral-water interfaces, the weak adsorption affinity results in release of iodide when iodide free pore waters and ground waters contact the contaminated sediments in the vadose zone and aquifer systems

  7. Total iodine quantification in fluids and tissues from iodine- or iodide-supplemented rats by ion chromatography following microwave-assisted digestion.

    Science.gov (United States)

    Delgado, Guadalupe; Muñoz-Torres, Carolina; Orozco-Esquivel, Teresa; Anguiano, Brenda; Aceves, Carmen

    2015-03-01

    Iodine is a crucial component of thyroid hormones, and several reports have shown that iodine per se is implicated in the physiopathology of other organs. Innovative ion chromatography detection following a four-step temperature ramp microwave digestion in 25-50 mM nitric acid was developed to measure total iodine in biological fluids and tissue samples from female Sprague-Dawley rats supplemented with 0.05% molecular iodine (I2) or 0.05% potassium iodide (I(-)) in drinking water. The reported method allows the measurement of total iodine with a limit of quantification of 13.7 μg L(-1), recoveries of 96.3-100.3%, and intra- and inter-assay variations, of 3.5% and 7.4% respectively. Analysis of biological fluids showed that after 48 hours, iodine-supplemented animals exhibited significantly higher levels of total iodine in both serum and urine compared with those supplemented with iodide. The half-life of iodine in serum and urine measured over the first 48 h showed similar patterns for both the I2 (7.89 and 7.76 hours) and I(-) (8.27 and 8.90 hours) supplements. Differential uptake patterns were observed in tissues after 6 days of supplements, with I(-) preferentially retained by thyroid, lactating mammary gland, and milk, and a slightly but significantly higher capture of I2 in pituitary, ovary, and virgin mammary gland. We developed a rapid, selective, and accurate digestion method to process fluid and tissue samples that permits reproducible measurements of total iodine by ion chromatography; iodine or iodide supplement show a similar serum and urine half-life, but organ-specific uptake depends on the chemical form of the iodine supplement.

  8. Predictors of trait dissociation and peritraumatic dissociation induced via cold pressor.

    Science.gov (United States)

    Gómez-Pérez, Lydia; López-Martínez, Alicia Eva; Asmundson, Gordon John Glenn

    2013-11-30

    Understanding which factors predict individual dissociative response during stressful situations is important to clarify the nature of dissociation and the mechanisms associated to its use as a coping strategy. The present study examined (1) whether experiential avoidance (EA), anxiety sensitivity (AS), depressive symptoms, and state anxiety concurrently predicted trait dissociation (TD)-absorption, amnesia, depersonalization, and total TD scores-and laboratory induced dissociation (LID); and (2) whether TD and catastrophizing predicted LID. We also examined whether catastrophizing mediated the relationships between both AS and depressive symptoms and LID. A total of 101 female undergraduate students participated in a cold pressor task, which significantly induced dissociation. Results of hierarchical regression analyses showed that AS at Time 1 (9 months before the experimental session), as well as depressive symptoms and catastrophizing at the time of the experiment (Time 2), predicted LID at Time 2. Depressive symptoms at Time 2 predicted total TD, absorption, and amnesia scores. AS at Time 1 and depressive symptoms at Time 2 predicted depersonalization. AS, depressive symptoms, and catastrophizing seem to facilitate the use of dissociative strategies by healthy individuals, even in response to non-traumatic but discomforting stress. Copyright © 2013 Elsevier Ireland Ltd. All rights reserved.

  9. Optical second-harmonic and reflectance-anisotropy spectroscopy of molecular adsorption at Si(001) step-edges

    Energy Technology Data Exchange (ETDEWEB)

    Ehlert, Robert; Kwon, Jinhee; Downer, Michael C. [University of Texas at Austin, Department of Physics, Austin, TX 78712-1081 (United States)

    2008-07-01

    Reflectance-anisotropy spectroscopy (RAS) and spectroscopic second harmonic generation (SHG) are used to probe a single-domain reconstructed stepped Si(001) surface offcut 6 toward[110] before and after dissociative adsorption of H{sub 2} at the D{sub B} step edges. Preliminary analysis with a simplified bond hyperpolarizability model supports the mutual consistency of RA and SHG spectra and suggests that hydrogen termination redistributes oscillator strength from the chemically active step dangling bond into the step back bonds. The data provide a benchmark for first-principles calculations of the optical response of stepped Si surfaces to step edge molecular adsorption. (copyright 2008 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  10. A model to secure a stable iodine concentration in milk

    Directory of Open Access Journals (Sweden)

    Gisken Trøan

    2015-12-01

    Full Text Available Background: Dairy products account for approximately 60% of the iodine intake in the Norwegian population. The iodine concentration in cow's milk varies considerably, depending on feeding practices, season, and amount of iodine and rapeseed products in cow fodder. The variation in iodine in milk affects the risk of iodine deficiency or excess in the population. Objective: The first goal of this study was to develop a model to predict the iodine concentration in milk based on the concentration of iodine and rapeseed or glucosinolate in feed, as a tool to securing stable iodine concentration in milk. A second aim was to estimate the impact of different iodine levels in milk on iodine nutrition in the Norwegian population. Design: Two models were developed on the basis of results from eight published and two unpublished studies from the past 20 years. The models were based on different iodine concentrations in the fodder combined with either glucosinolate (Model 1 or rapeseed cake/meal (Model 2. To illustrate the impact of different iodine concentrations in milk on iodine intake, we simulated the iodine contribution from dairy products in different population groups based on food intake data in the most recent dietary surveys in Norway. Results: The models developed could predict iodine concentration in milk. Cross-validation showed good fit and confirmed the explanatory power of the models. Our calculations showed that dairy products with current iodine level in milk (200 µg/kg cover 68, 49, 108 and 56% of the daily iodine requirements for men, women, 2-year-old children, and pregnant women, respectively. Conclusions: Securing a stable level of iodine in milk by adjusting iodine concentration in different cow feeds is thus important for preventing excess intake in small children and iodine deficiency in pregnant and non-pregnant women.

  11. MARGINAL IODINE DEFICIENCY EXACERBATES PERCHLORATE THYROID TOXICITY.

    Science.gov (United States)

    The environmental contaminant perchlorate disrupts thyroid homeostasis via inhibition of iodine uptake into the thyroid. This work tested whether iodine deficiency exacerbates the effects of perchlorate. Female 27 day-old LE rats were fed a custom iodine deficient diet with 0, 50...

  12. Iodine isotopes and radiation safety

    International Nuclear Information System (INIS)

    Styro, B.; Nedvekajte, T.; Filistovich, V.

    1992-01-01

    Methods of concentration determination of stable and radioactive iodine isotopes in the Earth's different geospheres are described. Iodine isotopes concentration data, chemical forms and transformations as well as their exchange among separate geospheres of their global biochemical circulation (ocean, atmosphere, lithosphere and biosphere) are presented. Information on iodine isotopes as after-effects of nuclear installations accident (in particular, the Chernobyl accident) is generalized. The book is intended for scientists and practical workers in ecology and radioactivity protection and for a students of physics. 442 refs.; 82 figs.; 36 tabs

  13. Application of radiopharmaceuticals in iodine disorder studies

    International Nuclear Information System (INIS)

    Rajurkar, N.S.

    2015-01-01

    Iodine is an essential trace element and is of much interest in nutritional research. It is essential for the production of the hormones in the thyroid gland. However, deficiency or excess of iodine can cause disorders, commonly known as iodine disorders. Total quantity of iodine present in the body is 15-20 mg, mostly in thyroid gland and the safe and adequate intake of iodine is in the range of 50-200 μg.d -1 . Most of the iodine taken from food is accumulated in thyroid glands which plays a vital role in the well being as it controls growth and metabolism. In some people gland becomes over active (hyper thyroiditis) and in some people gland becomes sluggish (hypo thyroiditis). However, both the conditions are unhealthy and lead to serious consequences. The condition can be detected and treated with the help of radioiodine

  14. WHO's new recommendations about iodine prophylaxis at nuclear catastrophes

    International Nuclear Information System (INIS)

    Paile, Wendla

    1999-01-01

    WHO has prepared new advice about using stable iodine as protection against emission of radioactive iodine from nuclear catastrophes. The experiences from Chernobyl show that the risk for thyroid gland cancer after emission of radio-iodine is significant. The risk of serious side effects of stable iodine as single dose is stated to be minimal. Stable iodine is a safe, effective remedy for protecting the thyroid gland against radioactive iodine. It is recommended to adjust different criteria for iodine prophylaxis for new-born, children, young people and adults older than 40 years. For children of the age up to 18 years iodine prophylaxis should be considered at 10 mGy thyroid gland doses, and for young adults at 100 mGy. For adults of 40 years or more the cancer risk of radioactive iodine is very low and iodine prophylaxis is unnecessary provided that the expected does not exceed 5 Gy. The new information about risk and advantage must be considered in planning for distribution and storage of stable iodine. WHO also commends that everybody has the possibility to buy it in a pharmacy. (EHS)

  15. Overview of the ACEX project iodine work

    Energy Technology Data Exchange (ETDEWEB)

    Merilo, M

    1996-12-01

    The ACEX project is an internationally sponsored research program that focuses on several aspects of severe accidents. The areas addressed are iodine behavior in containments, pool scrubbing, molten corium concrete interactions, and ex-vessel core debris coolability. These areas all represent extensions to the previous and current ACE and MACE programs respectively. The ACE-Phase B (iodine) project, and other recent research efforts, have clarified the roles of the important phenomena that influence iodine volatility in reactor containments during severe accidents. The ACE Iodine Chemistry Subcommittee concluded that even though enough data has been generated to support reasonably good quantification of the important phenomena, a few important areas remain where quantification is still uncertain. This is due to a lack of agreement on how to utilize the existing database, as well as the possible absence of critical test and/or property data. Technical resolution of the overall iodine behavior issue is therefore not feasible until these uncertainties are fully assessed and practical solutions have been identified, implemented, and verified. The overall objectives of the ACEX iodine research program are to ensure that the iodine database can be used to predict the airborne concentration of iodine, the conditions for iodine reservoir stability, and to provide a mechanistic understanding for these phenomena. The first phase of this work involves a comprehensive review and interpretation of the existing database in order to formulate practical strategies for dealing with significant uncertainties and/or deficiencies. Several projects are underway involving the effects of organic reactions and structural surface interactions. In addition effort is being expended on standardizing the aqueous iodine kinetics database, specifying useful mass transfer models, and defining methodology for pH prediction. (Abstract Truncated)

  16. Content iodine in sauces of type emulsion

    Directory of Open Access Journals (Sweden)

    M. Bakirov

    2015-05-01

    Full Text Available Introduction. The scarcity of natural resources arouse a necessity to find additional sources of protein, fat, carbohydrates, and their complexes with scarce mineral compounds. Therefore, a relevant issue is to enrich the diets deficient iodine compounds through research and development of new food products. Materials and methods. Investigation of iodine content in emulsion-type sauces at all stages was performed using Xray -fluorescence analyzer «Elvax». X-ray -fluorescence method consists of the appearance characteristic X-radiation of atoms of a chemical element at infringement they the primary X-ray irradiation. Results and discussion. Investigated for the determination of organic and inorganic forms of iodine in content of food items, and installed the total loss of iodine in sauces after cooking and storage at +5 ... +10 ° C for 30 days. Using iodine-proteinaceous additive from 0.5 ... 2.5% by mass of iodine 0.01% can be achieved from 15 to 50% of the human daily requirement by iodine. The resulting product does not lose its organoleptic, physico - chemical, consumer characteristics and meets the requirements of normative documents. As a result of our research, it was found that the addition of the supplements enriched protein-mineral (SEPM in composition sauces does not adversely affect the physical -chemical characteristics of sauces, but due to the stabilizing effect of additives iodine-proteinaceous increased emulsion stability up to 98 - 100% without additional foo d additives (emulsifiers. This additive has passed a series of tests that indicate on compliance with requirements normative and technical documentation. Conclusions. Used methodical approach allowed us to estimate the level of organic and inorganic iodine, as well as describe in more detail and correctly interpret the chemical composition of foods fortified with iodine and predict their health properties.

  17. Overview of the ACEX project iodine work

    International Nuclear Information System (INIS)

    Merilo, M.

    1996-01-01

    The ACEX project is an internationally sponsored research program that focuses on several aspects of severe accidents. The areas addressed are iodine behavior in containments, pool scrubbing, molten corium concrete interactions, and ex-vessel core debris coolability. These areas all represent extensions to the previous and current ACE and MACE programs respectively. The ACE-Phase B (iodine) project, and other recent research efforts, have clarified the roles of the important phenomena that influence iodine volatility in reactor containments during severe accidents. The ACE Iodine Chemistry Subcommittee concluded that even though enough data has been generated to support reasonably good quantification of the important phenomena, a few important areas remain where quantification is still uncertain. This is due to a lack of agreement on how to utilize the existing database, as well as the possible absence of critical test and/or property data. Technical resolution of the overall iodine behavior issue is therefore not feasible until these uncertainties are fully assessed and practical solutions have been identified, implemented, and verified. The overall objectives of the ACEX iodine research program are to ensure that the iodine database can be used to predict the airborne concentration of iodine, the conditions for iodine reservoir stability, and to provide a mechanistic understanding for these phenomena. The first phase of this work involves a comprehensive review and interpretation of the existing database in order to formulate practical strategies for dealing with significant uncertainties and/or deficiencies. Several projects are underway involving the effects of organic reactions and structural surface interactions. In addition effort is being expended on standardizing the aqueous iodine kinetics database, specifying useful mass transfer models, and defining methodology for pH prediction. The results of this work are expected to identify where additional data

  18. Industrial system for producing iodine-123

    International Nuclear Information System (INIS)

    Brantley, J.C.

    1985-01-01

    An industrial system to produce iodine-123 required a complex set of steps involving new approaches by the Food and Drug Administration, difficult distribution procedures, and evidence from potential users that either very pure iodine-123 or inexpensive iodine-123 is needed. Industry has shown its willingness to invest in new radionuclides but needs strong evidence as to product potential to justify those investments

  19. Development of Databases on Iodine in Foods and Dietary Supplements

    Science.gov (United States)

    Ershow, Abby G.; Skeaff, Sheila A.; Merkel, Joyce M.; Pehrsson, Pamela R.

    2018-01-01

    Iodine is an essential micronutrient required for normal growth and neurodevelopment; thus, an adequate intake of iodine is particularly important for pregnant and lactating women, and throughout childhood. Low levels of iodine in the soil and groundwater are common in many parts of the world, often leading to diets that are low in iodine. Widespread salt iodization has eradicated severe iodine deficiency, but mild-to-moderate deficiency is still prevalent even in many developed countries. To understand patterns of iodine intake and to develop strategies for improving intake, it is important to characterize all sources of dietary iodine, and national databases on the iodine content of major dietary contributors (including foods, beverages, water, salts, and supplements) provide a key information resource. This paper discusses the importance of well-constructed databases on the iodine content of foods, beverages, and dietary supplements; the availability of iodine databases worldwide; and factors related to variability in iodine content that should be considered when developing such databases. We also describe current efforts in iodine database development in the United States, the use of iodine composition data to develop food fortification policies in New Zealand, and how iodine content databases might be used when considering the iodine intake and status of individuals and populations. PMID:29342090

  20. Three dimensions of dissociative amnesia.

    Science.gov (United States)

    Dell, Paul F

    2013-01-01

    Principal axis factor analysis with promax rotation extracted 3 factors from the 42 memory and amnesia items of the Multidimensional Inventory of Dissociation (MID) database (N = 2,569): Discovering Dissociated Actions, Lapses of Recent Memory and Skills, and Gaps in Remote Memory. The 3 factors' shared variance ranged from 36% to 64%. Construed as scales, the 3 factor scales had Cronbach's alpha coefficients of .96, .94, and .93, respectively. The scales correlated strongly with mean Dissociative Experiences Scale scores, mean MID scores, and total scores on the Structured Clinical Interview for DSM-IV Dissociative Disorders-Revised (SCID-D-R). What is interesting is that the 3 amnesia factors exhibited a range of correlations with SCID-D-R Amnesia scores (.52, .63, and .70, respectively), suggesting that the SCID-D-R Amnesia score emphasizes gaps in remote memory over amnesias related to dissociative identity disorder. The 3 amnesia factor scales exhibited a clinically meaningful pattern of significant differences among dissociative identity disorder, dissociative disorder not otherwise specified-1, dissociative amnesia, depersonalization disorder, and nonclinical participants. The 3 amnesia factors may have greater clinical utility for frontline clinicians than (a) amnesia as discussed in the context of the Diagnostic and Statistical Manual of Mental Disorders, Fourth Edition, nosology of the dissociative disorders or (b) P. Janet's (1893/1977 ) 4-fold classification of dissociative amnesia. The author recommends systematic study of the phenomenological differences within specific dissociative symptoms and their differential relationship to specific dissociative disorders.

  1. Dry method for recycling iodine-loaded silver zeolite

    International Nuclear Information System (INIS)

    Thomas, T.R.; Staples, B.A.; Murphy, L.P.

    1978-01-01

    Fission product iodine is removed from a waste gas stream and stored by passing the gas stream through a bed of silver-exchanged zeolite until the zeolite is loaded with iodine, passing dry hydrogen gas through the bed to remove the iodine and regenerate the bed, and passing the hydrogen stream containing the hydrogen iodide thus formed through a lead-exchanged zeolite which absorbs the radioactive iodine from the gas stream and permanently storing the lead-exchanged zeolite loaded with radioactive iodine

  2. Quantitative method for determination of body inorganic iodine

    International Nuclear Information System (INIS)

    Filatov, A.A.; Tatsievskij, V.A.

    1991-01-01

    An original method of quantitation of body inorganic iodine, based upon a simultaneous administration of a known dose of stable and radioactive iodine with subsequent radiometry of the thyroid was proposed. The calculation is based upon the principle of the dilution of radiactive iodine in human inorganic iodine space. The method permits quantitation of the amount of inorganic iodine with regard to individual features of inorganic space. The method is characterized by simplicity and is not invasive for a patient

  3. Iodine in eggs in an iodopenic region

    International Nuclear Information System (INIS)

    Bogdanov, Bogdan; Gonev, Mihail; Tadzher, Isak S.

    1996-01-01

    Macedonia is a region with a recognized precarious iodine balance, due to iodine deficiency in almost all water sources. Five percent iodine intake through eggs in the daily diet of adults is significant in this balance. The content of 40-220 micro g I - /kg eggs is lower than the British one (average 340-370 micro g I - /kg). The amount per egg is 3-6 micro g I' far less than 711 micro g I - in special iodine-enriched eggs designed for treatment of thyroid and metabolic disorders by feeding chickens with kelp additives. The iodine content of our manufacturers, provides substantial part of former Yugoslavia with eggs, is entirely dependent on imported fishmeal in chicken feed. (Author)

  4. Luminescent MOFs comprising mixed tritopic linkers and Cd(II)/Zn(II) nodes for selective detection of organic nitro compounds and iodine capture

    Energy Technology Data Exchange (ETDEWEB)

    Rachuri, Yadagiri; Bisht, Kamal Kumar [Analytical Discipline and Centralized Instrument Facility, CSIR–Central Salt and Marine Chemicals Research Institute, Council of Scientific and Industrial Research, G. B. Marg, Bhavnagar 364002, Gujarat (India); Academy of Scientific and Innovative Research (AcSIR), CSIR–Central Salt and Marine Chemicals Research Institute, Council of Scientific and Industrial Research, G. B. Marg, Bhavnagar 364002, Gujarat (India); Parmar, Bhavesh [Analytical Discipline and Centralized Instrument Facility, CSIR–Central Salt and Marine Chemicals Research Institute, Council of Scientific and Industrial Research, G. B. Marg, Bhavnagar 364002, Gujarat (India); Suresh, Eringathodi, E-mail: esuresh@csmcri.org [Analytical Discipline and Centralized Instrument Facility, CSIR–Central Salt and Marine Chemicals Research Institute, Council of Scientific and Industrial Research, G. B. Marg, Bhavnagar 364002, Gujarat (India); Academy of Scientific and Innovative Research (AcSIR), CSIR–Central Salt and Marine Chemicals Research Institute, Council of Scientific and Industrial Research, G. B. Marg, Bhavnagar 364002, Gujarat (India)

    2015-03-15

    Two CPs ([Cd{sub 3}(BTC){sub 2}(TIB){sub 2}(H{sub 2}O){sub 4}].(H{sub 2}O){sub 2}){sub n} (1) and ([Zn{sub 3}(BTC){sub 2}(TIB){sub 2}].(H{sub 2}O){sub 6}){sub n} (2) composed of tripodal linkers BTC (1,3,5-benzenetricarboxylate) and TIB (1,3,5-tris(imidazol-1-ylmethyl)benzene) were synthesized via solvothermal route and structurally characterized. Single crystal structural analysis reveals 1 possesses a novel 3D framework structure, whereas 2 represents a previously established compound. Owing to the d{sup 10} configuration of metal nodes and robust 3D frameworks, 1 and 2 exhibit excellent fluorescence properties which have been exploited to sense organic nitro compounds in vapor phase. Compound 1 demonstrates selective sensing of nitromethane over structurally similar methanol with ca. 70 and 43% fluorescence quenching in case of former and later. Similarly, 58% fluorescence quenching was observed in case of nitrobenzene over the structurally resembling toluene for which 30% quenching was observed. Compound 2 did not show any preference for nitro compounds and exhibited comparable fluorescence quenching when exposed to the vapors of nitro or other geometrically resembling organic molecules. Furthermore, adsorption experiments revealed that 1 and 2 can uptake 2.74 and 14.14 wt% molecular iodine respectively in vapor phase which can be released in organic solvents such as hexane and acetonitrile. The maximal iodine uptake in case of 1 and 2 corresponds to 0.15 and 0.80 molecules of iodine per formula unit of respective frameworks. Comprehensive structural description, thermal stability and luminescence behavior for both CPs has also been presented. - Graphical abstract: Two 3D luminescent CPs comprising mixed tripodal ligands have been hydrothermally synthesized and structurally characterized. Iodine encapsulation capacity of synthesized CPs is evaluated and their fluorescence quenching in presence of small organic molecules is exploited for sensing of nitro

  5. An experimental study of furan adsorption and decomposition on vicinal palladium surfaces using scanning tunneling microscopy

    Science.gov (United States)

    Loui, A.; Chiang, S.

    2018-04-01

    The intact adsorption and decomposition of furan (C4H4O) on vicinal palladium surfaces with (111)-oriented terraces has been studied by scanning tunneling microscopy (STM) over a range of temperatures. STM images at 225 K show that furan molecules lie flat and prefer to adsorb at upper step edges. At 225 K, furan molecules adsorbed on "narrow" terraces of 20 to 45 Å in width appear to diffuse more readily than those adsorbed on "wide" terraces of 160 to 220 Å. A distinct population of smaller features appears in STM images on "narrow" terraces at 288 K and on "wide" terraces at 415 K and is identified with the C3H3 decomposition product, agreeing with prior studies which demonstrated that furan dissociates on Pd(111) to yield carbon monoxide (CO) and a C3H3 moiety in the 280 to 320 K range. Based on our direct visualization of this reaction using STM, we propose a spatial mechanism in which adsorption of furan at upper step edges allows catalysis of the dissociation, followed by diffusion of the product to lower step edges.

  6. Iodine excretion in school children in Copenhagen

    DEFF Research Database (Denmark)

    Rasmussen, Lone B; Kirkegaard-Klitbo, Ditte Marie; Laurberg, Peter

    2016-01-01

    INTRODUCTION: Studies of dietary habits show a high iodine intake in children in Denmark. Iodine excretion in children has not previously been assessed. Iodine excretion in adults is below the recommended threshold, and it is therefore being discussed to increase the fortification level. The main...

  7. Leak test method and test device for iodine filter

    International Nuclear Information System (INIS)

    Fukasawa, Tetsuo; Funabashi, Kiyomi; Miura, Noboru; Miura, Eiichi.

    1995-01-01

    An air introduction device which can change a humidity is disposed upstream of an iodine filter to be tested, and a humidity measuring device is disposed downstream of the iodine filter respectively. At first, dried air reduced with humidity is flown from the air introduction device to the iodine filter, to remove moisture content from an iodine adsorber in the iodine filter. Next, air at an increased humidity is supplied to the iodine filter. The difference between the time starting the supply of the highly humid air and the time detecting the high humidity at the humidity measuring device is measured. When the time difference is smaller than the time difference measured previously in a normal iodine filter, it shows the presence of leak in the iodine filter to be tested. With such procedures, leakage in the iodine filter which removes radioactive iodine from off-gases discharged from the radioactive material handling facilities can be detected easily by using water (steams), namely, a naturally present material. (I.N.)

  8. Iodine supply in diet in various european regions and risks of iodine prophylaxis

    International Nuclear Information System (INIS)

    Dumont, J.E.

    1991-01-01

    The main risk of low level irradiation of the thyroid is the induction of thyroid neoplasia. In the case of nuclear accidents this risk depends on the level of radioiodine uptake and half life in the thyroid, on the size of the gland and on the relative biological efficiency of the emitted radiation especially at low doses. The level of radioiodine uptake is inversely related to stable iodine supply in the diet. In this study it was proposed to: 1. systematically survey iodine supply in the diet, radioiodine uptake and thyroid kinetics in various European regions. Most of these data are readily available. Taken together with presently accepted estimates of relative biological efficiency, the radiation doses at various contamination levels and risks could be computed and tabulated as an easy-to-use basis for decision guidelines. 2. to obtain in vitro from human autopsy material, radioiodine kinetics data in fetal thyroid to complement data in vivo in a model animal close to man (the chimpanzee) at various dietary iodine levels. Urinary iodine excretions vary in Europe from one region to another from 16 to 250 ug/day. The full spectrum from severe iodine deficiency to normal dietary intake exists in Europe. It is therefore quite to be expected that 24h thyroid radioiodine uptakes vary from 19 to 83%. Therefore for a similar radioiodide contamination the thyroid exposure will vary from one region to another by a factor of 4

  9. D2 dissociative adsorption on and associative desorption from Si(100): Dynamic consequences of an ab initio potential energy surface

    DEFF Research Database (Denmark)

    Luntz, A. C.; Kratzer, Peter

    1996-01-01

    favors the symmetric one. Under the conditions of many experiments, either could dominate. The calculations show quite weak dynamic coupling to the Si lattice for both paths, i.e., weak surface temperature dependences to dissociation and small energy loss to the lattice upon desorption......Dynamical calculations are reported for D-2 dissociative chemisorption on and associative desorption from a Si(100) surface. These calculations use the dynamically relevant effective potential which is based on an ab initio potential energy surface for the ''pre-paired'' species. Three coordinates...

  10. Nutritional status of iodine in pregnant women in Catalonia (Spain): study on hygiene-dietetic habits and iodine in urine.

    Science.gov (United States)

    Prieto, Gemma; Torres, Maria Teresa; Francés, Lidia; Falguera, Gemma; Vila, Lluis; Manresa, Josep María; Casamitjana, Roser; Barrada, Juan Ramón; Acera, Amèlia; Guix, Dolors; Torrent, Anna; Grau, Josep; Torán, Pere

    2011-03-08

    It is a priority to achieve an adequate nutritional status of iodine during pregnancy since iodine deficiency in this population may have repercussions on the mother during both gestation and post partum as well as on the foetus, the neonate and the child at different ages. According to the WHO, iodine deficiency is the most frequent cause of mental retardation and irrreversible cerebral lesions around the world. However, few studies have been published on the nutritional status of iodine in the pregnant population within the Primary Care setting, a health care level which plays an essential role in the education and control of pregnant women. Therefore, the aim of the present study is: 1.- To know the hygiene-dietetic habits related to the intake of foods rich in iodine and smoking during pregnancy. 2.- To determine the prevalence of iodine deficiency and the factors associated with its appearance during pregnancy. We will perform a cluster randomised, controlled, multicentre trial. Randomisation unit: Primary Care Team. 898 pregnant women over the age of 17 years attending consultation to a midwife during the first trimester of pregnancy in the participating primary care centres. consumption of iodine-rich foods and iodine deficiency. Points of assessment: each trimester of the gestation. group education during the first trimester of gestation on healthy hygiene-dietetic habits and the importance of an adequate iodine nutritional status. descriptive analysis of all variables will be performed as well as multilevel logistic regression. All analyses will be done carried out on an intention to treat basis and will be fitted for potential confounding factors and variables of clinical importance. Evidence of generalised iodine deficiency during pregnancy could lead to the promotion of interventions of prevention such as how to improve and intensify health care educational programmes for pregnant women. ClinicalTrials.gov: NCT01301768.

  11. Determination of iodine and iodine compounds in marine samples by ICPMS and HPLC-ICPMS

    DEFF Research Database (Denmark)

    Hansen, Maiken Sødergreen; Lewandowski, Daniel Jacob; Rasmussen, Rie Romme

    2014-01-01

    seaweed and fish, which contain elevated levels of iodine (fish typically 1-10 mg/kg and seaweed up to 8000 mg/kg). These marine food items may contain different iodine species, which may have different bioavailability and toxicity, and hence there is an increased interest in developing analytical methods...

  12. Water adsorption induced in-plane domain switching on BaTiO{sub 3} surface

    Energy Technology Data Exchange (ETDEWEB)

    Li, X.; Bai, Y.; Su, Y. J., E-mail: yjsu@ustb.edu.cn [Corrosion and Protection Center, Key Laboratory for Environmental Fracture (MOE), University of Science and Technology Beijing, Beijing 100083 (China); Wang, B. C. [Corrosion and Protection Center, Key Laboratory for Environmental Fracture (MOE), University of Science and Technology Beijing, Beijing 100083 (China); Multiscale Materials Modelling group, Department of Materials and Engineering, Royal Institute of Technology, SE-10044 Stockholm (Sweden)

    2015-09-07

    In this study, the influences of the adsorption of water molecules on the changes in the atomic and electric structures of BaTiO{sub 3} surface were investigated using ab initio calculation. Water molecules are molecularly and dissociatively adsorbed on the BaTiO{sub 3} surface, which makes electrons transfer from water molecules to the BaTiO{sub 3} surface. The redistribution of electrons in the BaTiO{sub 3} surface layers weakens the Ba-O interactions and strengthens the Ti-O interactions, so that the Ti atom shifts in TiO{sub 2} plane, i.e., an in-plane domain switching. The adsorption of water molecules on BaTiO{sub 3} surfaces also results in a reduction in the surface rumpling.

  13. Adsorption and oxidation of oxalic acid on anatase TiO2 (001) surface: A density functional theory study.

    Science.gov (United States)

    Sun, Tao; Wang, Yun; Zhang, Haimin; Liu, Porun; Zhao, Huijun

    2015-09-15

    Anatase TiO2 (001) surfaces have attracted great interest for photo-degradation of organic species recently due to their high reactivity. In this work, adsorption properties and oxidation mechanisms of oxalic acid on the anatase TiO2 (001) surface have been theoretically investigated using the first-principles density functional theory. Various possible adsorption configurations are considered by diversifying the connectivity of carboxylic groups with the surface. It is found that the adsorption of oxalic acid on the anatase (001) surface prefer the dissociative states. A novel double-bidentate configuration has been found due to the structural match between oxalic acid and the (001) surface. More charge is transferred from the adsorbed oxalic acid to the surface with the double-bidentate configuration when comparing with other adsorption structures. Thus, there is a positive correlation relationship between the transferred charge amount and the interfacial bond numbers when oxalic acid adsorbs on the anatase TiO2 (001) surface. The adsorption energies with dispersion corrections have demonstrated that the van der Waals interactions play an important role in the adsorption, especially when adsorbates are close to the surface. Copyright © 2015 Elsevier Inc. All rights reserved.

  14. Iodinated Contrast Media and the Alleged "Iodine Allergy": An Inexact Diagnosis Leading to Inferior Radiologic Management and Adverse Drug Reactions.

    Science.gov (United States)

    Böhm, Ingrid; Nairz, Knud; Morelli, John N; Keller, Patricia Silva Hasembank; Heverhagen, Johannes T

    2017-04-01

    Purpose  To test the hypothesis that the incomplete diagnosis "iodine allergy" is a possibly dangerous concept for patients under routine radiologic conditions. Materials and Methods  300 patients with a history of an "iodine allergy" were retrospectively screened and compared with two age-, sex-, and procedure-matched groups of patients either diagnosed with a nonspecific "iodine contrast medium (ICM) allergy" or an allergy to a specific ICM agent. For all groups, the clinical symptoms of the most recent past adverse drug reaction (ADR), prophylactic actions taken for subsequent imaging, and ultimate outcome were recorded and analyzed. Results  The diagnosis "iodine allergy" was not otherwise specified in 84.3 % patients. For this group, in most cases, the symptoms of the previous ADRs were not documented. In contrast, the type of ADR was undocumented in only a minority of patients in the comparison groups. In the group of patients with an "iodine allergy" the percentage of unenhanced CT scans was greater than within the other two groups (36.7 % vs. 28.7 %/18.6 %). ADRs following prophylactic measures were only observed in the "iodine allergy" group (OR of 9.24 95 % CI 1.16 - 73.45; p contrast media containing covalently bound iodine.. · There is a clear correlation between the exactness of the diagnosis - from the alleged "iodine allergy" to "contrast media allergy" to naming the exact culprit CM - and the quality of documentation of the symptoms.. · Management of patients diagnosed with "iodine allergy" was associated with uncertainty leading to unenhanced scans and sometimes unnecessary prophylactic actions.. · The term "iodine allergy" should be omitted, because it is potentially dangerous and can decrease the quality of radiology exams.. Citation Format · Böhm Ingrid, Nairz Knud, Morelli John N et al. Iodinated Contrast Media and the Alleged "Iodine Allergy": An Inexact Diagnosis Leading to Inferior Radiologic Management and

  15. Geographical distribution of drinking-water with high iodine level and association between high iodine level in drinking-water and goitre: a Chinese national investigation.

    Science.gov (United States)

    Shen, Hongmei; Liu, Shoujun; Sun, Dianjun; Zhang, Shubin; Su, Xiaohui; Shen, Yanfeng; Han, Hepeng

    2011-07-01

    Excessive iodine intake can cause thyroid function disorders as can be caused by iodine deficiency. There are many people residing in areas with high iodine levels in drinking-water in China. The main aim of the present study was to map the geographical distribution of drinking-water with high iodine level in China and to determine the relationship between high iodine level in drinking-water and goitre prevalence. Iodine in drinking-water was measured in 1978 towns of eleven provinces in China, with a total of 28,857 water samples. We randomly selected children of 8-10 years old, examined the presence of goitre and measured their urinary iodine in 299 towns of nine provinces. Of the 1978 towns studied, 488 had iodine levels between 150 and 300 μg/l in drinking-water, and in 246 towns, the iodine level was >300 μg/l. These towns are mainly distributed along the original Yellow River flood areas, the second largest river in China. Of the 56 751 children examined, goitre prevalence was 6.3 % in the areas with drinking-water iodine levels of 150-300 μg/l and 11.0 % in the areas with drinking-water iodine >300 μg/l. Goitre prevalence increased with water and urinary iodine levels. For children with urinary iodine >1500 μg/l, goitre prevalence was 3.69 times higher than that for those with urinary iodine levels of 100-199 μg/l. The present study suggests that drinking-water with high iodine levels is distributed in eleven provinces of China. Goitre becomes more prevalent with the increase in iodine level in drinking-water. Therefore, it becomes important to prevent goitre through stopping the provision of iodised salt and providing normal drinking-water iodine through pipelines in these areas in China.

  16. Treatment of hyperthyroidism with radioactive iodine

    International Nuclear Information System (INIS)

    Bell, R.L.

    1974-01-01

    While radioactive iodine is clearly the therapy of choice for Graves' disease (even in younger patients) the use of radioactive iodine for therapy of the toxic multinodular or uninodular goiter presents an entirely different problem. Although these two entities can be treated with radioactive iodine provided there is some suppression of the tissue that is not autonomous, transient release of thyroid hormone may induce symptoms of thyroid storm in the very large multinodular toxic goiter treated with radioiodine therapy. These toxic nodules generally require much larger doses of radioiodine than is commonly used for classical Graves' disease and may either require fractional administration of radioisotopes or concomitant use of antithyroid drugs and iodides. In general, surgery remains the treatment of choice for large toxic multinodular goiters, after proper preparation by medical means including radioactive iodine. Radioactive iodine therapy for hyperthyroidism is contraindicated in pregnancy and generally is not used in children below five years of age. (U.S.)

  17. Mandatory iodine fortification of bread and salt increases iodine excretion in adults in Denmark - A 11-year follow-up study

    DEFF Research Database (Denmark)

    Rasmussen, Lone Banke; Jørgensen, Torben; Perrild, Hans

    2014-01-01

    intake (diet plus supplements) had increased by 16 (-18-48) μg/day. Iodine excretion had increased significantly in all age and gender groups, but was still below the recommended amount at follow-up. The increase in iodine excretion was positively associated with changes in milk intake, with changes...... in the use of iodine supplements, and with bread intake at follow-up. Salt intake, education, self-rated health, smoking, alcohol intake and physical activity were not associated with the increase in iodine excretion. Conclusions: The strategy to combat iodine deficiency in Denmark seems to be working...

  18. Assessment of iodine status in children, adults, pregnant women and lactating women in iodine-replete areas of China.

    Directory of Open Access Journals (Sweden)

    Fangang Meng

    Full Text Available BACKGROUND: Iodine deficiency disorders (IDD are widespread in China. Presently, IDD have been put under control by Universal Salt Iodisation (USI in China; however, there is a lack of evidence on whether the iodine status in adults, pregnant women and lactating women is optimal. This study was therefore conducted to assess the iodine nutrition and thyroid function of children, adults, pregnant women and lactating women residing in areas where the USI program is fully established. DESIGN: Six areas were selected according to the geographical regions in China. In each of these areas, we selected 4 distinct groups of subjects (children, adults, pregnant women and lactating women in regions where the coverage rate of iodised salt was more than 95% and the levels of iodine and fluoride in drinking water were less than or equal to 10 µg/L and 1 mg/L, respectively. We tested the iodine content of salt, urinary iodine (UI, free thyroxin (FT4, thyrotropin (TSH, thyroglobulin (Tg, thyroglobulin antibody (Tg-Ab and antimicrosomal antibody (TM-Ab in the 4 groups, and examined the thyroid volume in children. RESULTS: The median urinary iodine (MUI concentrations were 271.4 μg/L, 260.2 μg/L, 205.9 μg/L and 193.9 μg/L in children, adults, pregnant women and lactating women, respectively; MUI in children and adults were more than adequate. The goitre prevalence (GP in children was 6.70%. The odds ratios (OR of subclinical hypothyroidism in the Tg-Ab- or TM-Ab-positive groups were 3.80, 7.65, 2.01 and 7.47 for children, adults, pregnant women and lactating women, respectively, compared with the negative groups. CONCLUSIONS: The iodine status in children and adults is above the requirement, we should reduce their iodine intake. Subclinical hypothyroidism easily occurs in the Tg-Ab or TM-Ab positive groups.

  19. From dissociation to trauma? Individual differences in dissociation as predictor of 'trauma' perception

    NARCIS (Netherlands)

    Rassin, Eric; van Rootselaar, Anne-Fleur

    2006-01-01

    In clinical literature, dissociative complaints are generally considered to be the result of traumatic experiences. However, it has been argued that dissociative complaints, in turn, may indulge over-reporting of traumatic experiences. Hence, correlations between dissociation and self-reported

  20. Study on Shale Adsorption Equation Based on Monolayer Adsorption, Multilayer Adsorption, and Capillary Condensation

    Directory of Open Access Journals (Sweden)

    Qing Chen

    2017-01-01

    Full Text Available Shale gas is an effective gas resource all over the world. The evaluation of pore structure plays a critical role in exploring shale gas efficiently. Nitrogen adsorption experiment is one of the significant approaches to analyze pore size structure of shale. Shale is extremely heterogeneous due to component diversity and structure complexity. Therefore, adsorption isotherms for homogeneous adsorbents and empirical isotherms may not apply to shale. The shape of adsorption-desorption curve indicates that nitrogen adsorption on shale includes monolayer adsorption, multilayer adsorption, and capillary condensation. Usually, Langmuir isotherm is a monolayer adsorption model for ideal interfaces; BET (Brunauer, Emmett, Teller adsorption isotherm is a multilayer adsorption model based on specific assumptions; Freundlich isotherm is an empirical equation widely applied in liquid phase adsorption. In this study, a new nitrogen adsorption isotherm is applied to simultaneously depict monolayer adsorption, multilayer adsorption, and capillary condensation, which provides more real and accurate representation of nitrogen adsorption on shale. In addition, parameters are discussed in relation to heat of adsorption which is relevant to the shape of the adsorption isotherm curve. The curve fitting results indicate that our new nitrogen adsorption isotherm can appropriately describe the whole process of nitrogen adsorption on shale.

  1. Assessment of complex dissociative disorder patients and simulated dissociation in forensic contexts.

    Science.gov (United States)

    Brand, Bethany L; Webermann, Aliya R; Frankel, A Steven

    Few assessors receive training in assessing dissociation and complex dissociative disorders (DDs). Potential differential diagnoses include anxiety, mood, psychotic, substance use, and personality disorders, as well as exaggeration and malingering. Individuals with DDs typically elevate on many clinical and validity scales on psychological tests, yet research indicates that they can be distinguished from DD simulators. Becoming informed about the testing profiles of DD individuals and DD simulators can improve the accuracy of differential diagnoses in forensic settings. In this paper, we first review the testing profiles of individuals with complex DDs and contrast them with DD simulators on assessment measures used in forensic contexts, including the Minnesota Multiphasic Personality Inventory-2 (MMPI-2), Personality Assessment Inventory (PAI), and the Structured Inventory of Reported Symptoms (SIRS), as well as dissociation-specific measures such as the Dissociative Experiences Scale (DES) and Structured Clinical Interview for DSM-IV Dissociative Disorders (SCID-D-R). We then provide recommendations for assessing complex trauma and dissociation through the aforementioned assessments. Copyright © 2016 Elsevier Ltd. All rights reserved.

  2. Management modes for iodine-129

    International Nuclear Information System (INIS)

    White, I.F.; Smith, G.M.

    1984-01-01

    This study completes a two-stage programme, supported by the Commission of the European Communities, on management modes for iodine-129. The models for the radiological assessment of iodine-129 management modes have been reviewed and, where necessary, revised, and a generic radiological assessment has been carried out using these models. Cost benefit analysis has been demonstrated for a variety of iodine-129 management modes; for a wide range of assumptions, the costs of abatement of atmospheric discharges would be outweighed by the radiological benefits. The cost benefit analysis thus complements and confirms the preliminary conclusion of the previous study: iodine-129 should be trapped to a large extent from the off-gases of a large reprocessing plant and disposed of by other suitable means, in order to ensure that all exposures from this radionuclide are as low as reasonably achievable. Once the major fraction of the iodine-129 throughput of a reprocessing plant has been trapped from the dissolver off-gases, there are unlikely to be strong radiation protection incentives either for further trapping from the dissolver off-gases or for trapping from the vessel off-gases. In a generic study it is not possible to state an optimum choice of process(es) for abatement of atmospheric discharges of iodine-129. This choice must be determined by assessments in the specific context of a particular reprocessing plant, its site, the waste disposal routes that are actually available, and also in the wider context of the management plans for all radioactive wastes at the plant in question

  3. Iodine and microbial interactions in an organic soil

    International Nuclear Information System (INIS)

    Sheppard, M.I.; Hawkins, J.L.

    1995-01-01

    Iodine-129 in groundwater discharging from a geological disposal vault could accumulate in wetlands by chemical sorption onto low pH, highly organic solid surfaces or by direct or indirect microbial processes. Previous work indicated that saturation of anion sorption sites, microbial toxicity, or swamping of the I reduction/oxidation reaction decreased the retention of a wetland sphagnum for iodine with increased iodine porewater concentrations. Bog water and peat of an iodine-rich bog were studied to elucidate the role of micro-organisms in the retention and accumulation of iodine in a temperate wetland. (author)

  4. Absorption spectrum of Iodine around 5915 A

    International Nuclear Information System (INIS)

    1990-01-01

    The iodine absorption spectrum around 5915 A is of interest for many authors especially the hyperfine structure of the iodine line. Lodine absorption spectrum was obtained due to the interaction of iodine vapour with dye laser [(R6G) (0.5A) scanning range around 5915 A] which is pumped by(Ar + )laser absorption spectrum. The decrease in the peak of the transmission line around 5915 A shows the signal futher decreased by heating the iodine cell. This analysis has been done using a monochromator

  5. First principles study of halogens adsorption on intermetallic surfaces

    International Nuclear Information System (INIS)

    Zhu, Quanxi; Wang, Shao-qing

    2016-01-01

    Graphical abstract: - Highlights: • The linear relation between adsorbates induced work function change and dipole moment change also exists for intermetallic surfaces. • It is just a common linear relationship rather than a directly proportion. • A new weight parameter β is proposed to describe different factors effect on work function shift. - Abstract: Halides are often present at electrochemical environment, they can directly influence the electrode potential or zero charge potential through the induced work-function change. In this work, we focused in particular on the halogen-induced work function change as a function of the coverage of fluorine, chlorine, bromine and iodine on Al_2Au and Al_2Pt (110) surfaces. Results show that the real relation between work function change and dipole moment change for halogens adsorption on intermetallic surfaces is just a common linear relationship rather than a directly proportion. Besides, the different slopes between fitted lines and the theoretical slope employed in pure metal surfaces demonstrating that the halogens adsorption on intermetallic surfaces are more complicated. We also present a weight parameter β to describe different factors effect on work function shift and finally qualify which factor dominates the shift direction.

  6. Effects of elevated iodine in milk replacer on calf performance.

    Science.gov (United States)

    Jenkins, K J; Hidiroglou, M

    1990-03-01

    Calves were fed milk replacer containing .57, 10, 50, 100, or 200 ppm iodine (from ethylenediaminedihydroiodide) in DM, from 3 to 38 d of age, to estimate the minimum toxic concentration of iodine. Only the 200 ppm iodine intake reduced weight gains, DM intake, feed efficiency, and DM digestibility. At the 100 and 200 ppm iodine intakes, protein digestibility was reduced, and calves showed typical symptoms of iodine toxicity (nasal discharge, excessive tear and saliva formation, and coughing from tracheal congestion). Thyroid iodine increased with every elevation in iodine intake. Iodine in plasma, bile, and non-thyroid tissues started to increase at the 50 ppm intake and, except for muscle, tended to increase again at the 100 and 200 ppm intakes. Thus, the preruminant calf tolerated up to 50 ppm iodine in milk replacer DM for 5 wk postpartum. However, as iodine concentrations in plasma and nonthyroid tissues started to increase at 50 ppm iodine, an upper limit of 10 ppm would be more preferable.

  7. Excessive iodine intake does not increase the recurrence rate of graves' disease after withdrawal of the antithyroid drug in an iodine-replete area.

    Science.gov (United States)

    Park, Sun Mi; Cho, Yoon Young; Joung, Ji Young; Sohn, Seo Young; Kim, Sun Wook; Chung, Jae Hoon

    2015-03-01

    The relationship between iodine intake and effects of antithyroid drugs (ATD) for Graves' disease, especially in iodine-deficient areas, has been demonstrated in many studies. However, it was not clear how chronic high iodine intake influenced the effectiveness of ATD in an iodine-replete area. This study aimed to clarify the effect of iodine intake on clinical outcomes of Graves' disease after discontinuation of ATD in Korea, an iodine-replete area. A total of 142 patients with Graves' disease who visited the outpatient clinic regularly and stopped their ATD between October 2011 and April 2013 were enrolled in our study. Urinary iodine concentration (UIC) was measured just before and after the discontinuation of ATD. Median UIC was not significantly different between the remission and relapse groups, as well as among the four treatment groups (group 1, remission after initial treatment; group 2, remission after repeated treatment; group 3, early relapse within a year; group 4, late relapse after a year). Remission rates did not show a significant difference between the excessive iodine intake (UIC ≥300 μg/l) and average iodine intake groups (UIC Graves' disease in an iodine-replete area, and therefore diet control with iodine restriction might not be necessary in the management of Graves' disease.

  8. 21 CFR 520.1157 - Iodinated casein tablets.

    Science.gov (United States)

    2010-04-01

    ... 21 Food and Drugs 6 2010-04-01 2010-04-01 false Iodinated casein tablets. 520.1157 Section 520...) ANIMAL DRUGS, FEEDS, AND RELATED PRODUCTS ORAL DOSAGE FORM NEW ANIMAL DRUGS § 520.1157 Iodinated casein tablets. (a) Specifications. Each 1-gram tablet contains 25 milligrams of iodinated casein. (b) Sponsor...

  9. Iodine and creatinine testing in urine dried on filter paper

    Energy Technology Data Exchange (ETDEWEB)

    Zava, Theodore T., E-mail: ttzava@zrtlab.com [ZRT Laboratory, 8605 SW Creekside Place, Beaverton, OR 97008 (United States); Kapur, Sonia, E-mail: soniak@zrtlab.com [ZRT Laboratory, 8605 SW Creekside Place, Beaverton, OR 97008 (United States); Zava, David T., E-mail: dzava@zrtlab.com [ZRT Laboratory, 8605 SW Creekside Place, Beaverton, OR 97008 (United States)

    2013-02-18

    Highlights: ► Dried urine iodine and creatinine extract quantitatively correlates well with liquid urine. ► Filter paper strips can be easily shipped and stored. ► Urine iodine and creatinine are stable at ambient temperature when dried on filter paper. ► Dried urine iodine and creatinine are run using a 96-well format. -- Abstract: Iodine deficiency is a world-wide health problem. A simple, convenient, and inexpensive method to monitor urine iodine levels would have enormous benefit in determining an individual's recent iodine intake or in identifying populations at risk for iodine deficiency or excess. Current methods used to monitor iodine levels require collection of a large volume of urine and its transport to a testing laboratory, both of which are inconvenient and impractical in parts of the world lacking refrigerated storage and transportation. To circumvent these limitations we developed and validated methods to collect and measure iodine and creatinine in urine dried on filter paper strips. We tested liquid urine and liquid-extracted dried urine for iodine and creatinine in a 96-well format using Sandell–Kolthoff and Jaffe reactions, respectively. Our modified dried urine iodine and creatinine assays correlated well with established liquid urine methods (iodine: R{sup 2} = 0.9483; creatinine: R{sup 2} = 0.9782). Results demonstrate that the dried urine iodine and creatinine assays are ideal for testing the iodine status of individuals and for wide scale application in iodine screening programs.

  10. Iodine and creatinine testing in urine dried on filter paper

    International Nuclear Information System (INIS)

    Zava, Theodore T.; Kapur, Sonia; Zava, David T.

    2013-01-01

    Highlights: ► Dried urine iodine and creatinine extract quantitatively correlates well with liquid urine. ► Filter paper strips can be easily shipped and stored. ► Urine iodine and creatinine are stable at ambient temperature when dried on filter paper. ► Dried urine iodine and creatinine are run using a 96-well format. -- Abstract: Iodine deficiency is a world-wide health problem. A simple, convenient, and inexpensive method to monitor urine iodine levels would have enormous benefit in determining an individual's recent iodine intake or in identifying populations at risk for iodine deficiency or excess. Current methods used to monitor iodine levels require collection of a large volume of urine and its transport to a testing laboratory, both of which are inconvenient and impractical in parts of the world lacking refrigerated storage and transportation. To circumvent these limitations we developed and validated methods to collect and measure iodine and creatinine in urine dried on filter paper strips. We tested liquid urine and liquid-extracted dried urine for iodine and creatinine in a 96-well format using Sandell–Kolthoff and Jaffe reactions, respectively. Our modified dried urine iodine and creatinine assays correlated well with established liquid urine methods (iodine: R 2 = 0.9483; creatinine: R 2 = 0.9782). Results demonstrate that the dried urine iodine and creatinine assays are ideal for testing the iodine status of individuals and for wide scale application in iodine screening programs

  11. An assessment of iodine in cheese in Macedonia

    International Nuclear Information System (INIS)

    Bogdanov, Bogdan; Gonev, Mihail; Tadzher, Isak S.

    1998-01-01

    We assessed some products in Macedonian food containing iodine: milk, bread, eggs, iodized salt. These nutritional items are deficient in iodine compared to western technology of,food preparation. Cheese prepared as white cheese from sheep and cow's milk is a much-used nutritional product. According to the Central Macedonian Statistical Bureau at the. Ministry of Health the laboratory measured iodine dosage in order to have an estimation of what the contribution of cheese is in the daily Macedonian diet. The collection of cheese was independently performed by the food inspectors in all regions of Macedonia. In June 1998 all specimens were in the laboratory. Macedonian white cheese has 57 micro g/dl iodine. In comparison to other nutritional items as milk, eggs and bread with a low contingent of iodine, the Macedonian cheese covers a good part of daily iodine necessity. We present our results with a brief comment on iodine metabolism. (Original)

  12. [Application of iodine metabolism analysis methods in thyroid diseases].

    Science.gov (United States)

    Han, Jian-hua; Qiu, Ling

    2013-08-01

    The main physiological role of iodine in the body is to synthesize thyroid hormone. Both iodine deficiency and iodine excess can lead to severe thyroid diseases. While its role in thyroid diseases has increasingly been recognized, few relevant platforms and techniques for iodine detection have been available in China. This paper summarizes the advantages and disadvantages of currently iodine detection methods including direct titration, arsenic cerium catalytic spectrophotometry, chromatography with pulsed amperometry, colorimetry based on automatic biochemistry, inductively coupled plasma mass spectrometry, so as to optimize the iodine nutrition for patients with thyroid diseases.

  13. DFT study of adsorption behavior of NO, CO, NO2, and NH3 molecules on graphene-like BC3: A search for highly sensitive molecular sensor

    Science.gov (United States)

    Mehdi Aghaei, Sadegh; Monshi, M. M.; Torres, I.; Zeidi, S. M. J.; Calizo, I.

    2018-01-01

    The adsorption behaviors of toxic gas molecules (NO, CO, NO2, and NH3) on the graphene-like boron carbide (BC3) are investigated using first-principle density functional theory. The graphene-like BC3 monolayer is a semiconductor with a band gap of 0.733 eV. It is discovered that all the above gas molecules are chemisorbed on the BC3 sheet while they retain their molecular forms. It is also revealed that the NO2 gas molecule could be dissociated into NO and O species through the adsorption process. The amounts of charge transfer upon adsorption of CO and NH3 gas molecules on the BC3 are found to be small. The band gap changes in BC3 as a result of interactions with CO and NH3 are only 4.63% and 16.7%, indicating that the BC3-based sensor has a low and moderate sensitivity to CO and NH3, respectively. Contrariwise, upon adsorption of NO or NO2 on the BC3, significant charges are transferred from the molecules to the BC3 sheet, causing a semiconductor-metal and semiconductor-p type semiconductor transition. Our study suggests that the BC3-based sensor has a high potential for NO and NO2 detection due to the significant conductance changes, moderate adsorption energy, and short recovery time. More excitingly, the BC3 is a likely catalyst for dissociation of the NO2 gas molecule.

  14. [Changes of iodine nutrition status and thyroid function among pregnant women in iodine sufficient rural area of Gansu province].

    Science.gov (United States)

    Wang, Yanling; Sun, Wei; Zhu, Xiaonan; Cao, Yongqin; Ge, Pengfei

    2014-01-01

    To assess the iodine nutrition and thyroid function of pregnant women during different periods of pregnancy, to provide evidence for guiding iodine supplementation for them. A cross-sectional survey was performed in 215 pregnant women in Yongjing couty from May to June 2013. Samples of blood and random urine were collected, and serum thyrotrophin (TSH), free triiodothyronine (FT3), free thyroxine (FT4), anti-thyroid peroxidase (anti-TPO), antithyroglobulin ( anti-TG)and urinary iodine were measured. The medians of urinary iodine from the three groups of pregnant women(first, second and third trimester) were 189.8 µg/L, 152.5 µg/L and 144.9 µg/L respectively. With the exception of pregnant women in the third trimester, the urinary iodine medians of pregnant women in the first and second trimesters were within the 150-249 µg/L range which was defined as optimal by WHO/UNICEF/ICCIDD. With the increase of gestational age, the level of FT3 decreased (P iodine TSH levels and the gestational age. The medians of anti-TG and anti-TPO appeared the lowest in the first trimester, and remained at a high level in women at second and third trimesters. Significant difference was seen in anti-TG, anti-TPO levels of the three groups of pregnant women (first, second and third trimester) (P iodine levels were not obvious. With the increase of gestational age, the incidence of iodine deficiency also increased among pregnant women. Abnormal thyroid hormones, TSH, positive anti-TG and anti-TPO were mainly existed in the early pregnancy. Programs as monitoring urinary iodine as well as thyroid function targeting all the pregnant women should be carried out.

  15. Determination of iodine to compliment mass spectrometric measurements

    International Nuclear Information System (INIS)

    Hohorst, F.A.

    1994-11-01

    The dose of iodine-129 to facility personnel and the general public as a result of past, present, and future activities at DOE sites is of continuing interest, WINCO received about 160 samples annually in a variety of natural matrices, including snow, milk, thyroid tissue, and sagebrush, in which iodine-129 is determined in order to evaluate this dose, Currently, total iodine and the isotopic ratio of iodine-127 to iodine-129 are determined by mass spectrometry. These two measurements determine the concentration of iodine-129 in each sample, These measurements require at least 16 h of mass spectrometer operator time for each sample. A variety of methods are available which concentrate and determine small quantities of iodine. Although useful, these approaches would increase both time and cost. The objective of this effort was to determine total iodine by an alternative method in order to decrease the load on mass spectrometry by 25 to 50%. The preparation of each sample for mass spectrometric analysis involves a common step--collection of iodide on an ion exchange bed. This was the focal point of the effort since the results would be applicable to all samples

  16. Iodine Status and Goiter Prevalence in Nizhegorodsky Region

    Directory of Open Access Journals (Sweden)

    Yu I Tarasov

    2005-03-01

    Full Text Available The undertaken study was to evaluate the severity of iodine deficiency and to establish the prevalence of goiter in the city of Nizhny Novgorod and in 35 districts of Nizhegorodsky region. 1868 children aged 8—11 years were examined. The median of urinary iodine concentration was measured, and the size of the thyroid was determined by palpation and by ultrasound study. Among all the examinees, the detection rate of the goiter was 19.4% (as evidenced by palpation and the median of urinary iodine concentration was 45.05 μg/l. The findings indicate natural iodine deficiency on the whole territory studied with severity variations from mild to moderate, and the disparity in goiter rate and iodine excretion level in some districts of Nizhegorodsky region. Cluster analysis and automatic classification of the districts based on goiter prevalence and urinary iodine parameters may be useful for a comprehensive assessment of iodine status in the whole region. Analyzing the pattern of the spread of goiter has demonstrated the role of geochemical, social and medical factors existing in the region. Key words: iodine deficiency, goiter, population based stady, thyroid.

  17. Iodine metabolism and food needs

    International Nuclear Information System (INIS)

    Mornex, R.

    1992-01-01

    Iodine is an element that is necessary for the growth and mental development of a child and for the maintenance of the activity of all cells at all ages. In this article, the author recalls the iodine sources, its metabolism and the food needs and contributions

  18. Suboptimal Iodine Status among Pregnant Women in the Oslo Area, Norway.

    Science.gov (United States)

    Henjum, Sigrun; Aakre, Inger; Lilleengen, Anne Marie; Garnweidner-Holme, Lisa; Borthne, Sandra; Pajalic, Zada; Blix, Ellen; Gjengedal, Elin Lovise Folven; Brantsæter, Anne Lise

    2018-02-28

    Norway has been considered iodine replete for decades; however, recent studies indicate reemergence of inadequate iodine status in different population groups. We assessed iodine status in pregnant women based on urinary iodine concentration (UIC), urinary iodine excretion (UIE), and iodine intake from food and supplements. In 804 pregnant women, 24-h iodine intakes from iodine-rich foods and iodine-containing supplements were calculated. In 777 women, iodine concentration was measured in spot urine samples by inductively coupled plasma/mass spectrometry (ICP-MS). In addition, 49 of the women collected a 24-h urine sample for assessment of UIE and iodine intake from food frequency questionnaire (FFQ). Median UIC was 92 µg/L. Fifty-five percent had a calculated iodine intake below estimated average requirement (EAR) (160 µg/day). Iodine intake from food alone did not provide the amount of iodine required to meet maternal and fetal needs during pregnancy. In multiple regression models, hypothyroidism, supplemental iodine and maternal age were positively associated with UIC, while gestational age and smoking were negatively associated, explaining 11% of the variance. This study clearly shows that pregnant women in the Oslo area are mild to moderate iodine deficient and public health strategies are needed to improve and secure adequate iodine status.

  19. Dissociation in small molecules

    International Nuclear Information System (INIS)

    Dehmer, P.M.

    1982-01-01

    The study of molecular dissociation processes is one of the most interesting areas of modern spectroscopy owing to the challenges presented bt even the simplest of diatomic molecules. This paper reviews the commonly used descriptions of molecular dissociation processes for diatomic molecules, the selection rules for predissociation, and a few of the principles to be remembered when one is forced to speculate about dissociation mechanisms in a new molecule. Some of these points will be illustrated by the example of dissociative ionization in O 2

  20. Evaluation of physical properties and adsorption capacity of regenerated granular activated carbons (GACs)

    International Nuclear Information System (INIS)

    Chae, Seon-Ha; Kim, Seong-Su; Park, No-Suk; Jeong, Woochang

    2013-01-01

    The objectives of this study were to evaluate the variation in physical properties and investigate the adsorption capacity after regeneration of granular activated carbon (GAC). A correlation analysis was conducted to examine the relationship between the iodide number and loss rate. The experimental results showed that the loss rate of regenerated carbon should be related to the usage time of GAC. Physical properties including the effective size and uniformity coefficient were similar to those of virgin GAC. This result indicates that the function of GAC as an adsorption medium may be recovered completely. Although the iodine number and specific surface area of the regenerated GAC were smaller than those of virgin GAC, the cumulative pore volume of the former was larger. The removal efficiency of organic matter from the regenerated GAC column was equal to or slightly higher than that from the virgin GAC column. Consequently, regeneration may increase the number of mesopores which are responsible for the removal of organic matter