WorldWideScience

Sample records for decomposition solution chemistry

  1. Ant-mediated effects on spruce litter decomposition, solution chemistry, and microbial activity

    DEFF Research Database (Denmark)

    Stadler, B.; Schramm, Andreas; Kalbitz, K.

    2006-01-01

    the effects of ants and aphid honeydew on litter solution of Norway spruce, microbial enzyme activities, and needle decomposition in a field and greenhouse experiment during summer 2003. In the field, low ant densities had relatively little effects on litter solution 30 cm away from a tree trunk...... and %N were not affected by ants or honeydew. Our results suggest that ants have a distinct and immediate effect on solution composition and microbial activity in the litter layer indicating accelerated litter decay whereas the effect of honeydew was insignificant. Keywords: Ants; Decomposition; Formica......Forest management practices often generate clear-cut patches, which may be colonized by ants not present in the same densities in mature forests. In addition to the associated changes in abiotic conditions ants can initiate processes, which do not occur in old-growth stands. Here, we analyse...

  2. Solution chemistry

    Energy Technology Data Exchange (ETDEWEB)

    None

    1973-07-01

    Research progress is reported on studies in heavy element chemistry. Topics considered are: synergistic complexes of plutonyl ion; water uptake in synergistic systems; formation constants of some uranyl BETA -diketone complexes; thermodynamic acid dissociation constants of BETA -diketones; thermodynamic formation constants of uranyl BETA -diketonates; thiocyanate complexes of some trivalent lanthanides and actinides; stability constants of actinide complexes using dinonyl naphthalenesulfonic acid extraction; TBP extraction of actinides; stability constants of complexes of Pu(III) with 5- sulfosalicycllc acid; and solvent extraction behavior of Pu( VII). (DHM)

  3. Decomposition of metal nitrate solutions

    International Nuclear Information System (INIS)

    Haas, P.A.; Stines, W.B.

    1982-01-01

    Oxides in powder form are obtained from aqueous solutions of one or more heavy metal nitrates (e.g. U, Pu, Th, Ce) by thermal decomposition at 300 to 800 deg C in the presence of about 50 to 500% molar concentration of ammonium nitrate to total metal. (author)

  4. Aqueous Solution Chemistry of Plutonium

    Energy Technology Data Exchange (ETDEWEB)

    Clark, David L. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2014-01-28

    Things I have learned working with plutonium: Chemistry of plutonium is complex; Redox equilibria make Pu solution chemistry particularly challenging in the absence of complexing ligands; Understanding this behavior is key to successful Pu chemistry experiments; There is no suitable chemical analog for plutonium.

  5. Decomposition kinetics of aminoborane in aqueous solutions

    International Nuclear Information System (INIS)

    Shvets, I.B.; Erusalimchik, I.G.

    1984-01-01

    Kinetics of aminoborane hydrolysis has been studied using the method of polarization galvanostatical curves on a platinum electrode in buffer solutions at pH 3; 5; 7. The supposition that the reaction of aminoborane hydrolysis is the reaction of the first order by aminoborane is proved. The rate constant of aminoborane decomposition in the solution with pH 5 is equal to: K=2.5x10 -5 s -1 and with pH 3 it equals K=1.12x10 -4 s -1

  6. Photochemical decomposition of Formaldehyde in solution

    International Nuclear Information System (INIS)

    Garrido Z, G.

    1995-01-01

    In this work was studied the effect of ultraviolet radiation produced by a mercury low pressure lamp in solutions of formaldehyde. These solutions were exposed to ultraviolet rays at different times. In some of these series of solutions was added a photosensibilizer in order to obtain a high photodecomposition of formaldehyde. The techniques used for determine the products of the decomposition were the following: 1. In order to measure the residual formaldehyde and glioxal, the Hantzsch and 2,4-dinitrophenylhydrazine methods were used. 2. pH's measurements of the solutions, before and after exposition. 3. Paper's chromatography for determine presence of formed acids. 4. Acid-base tritiations for measure total acidification. We observed that when the time of exposition to UV rays was increased, a high photodecomposition of formaldehyde was formed and, besides, a greater quantity of another products. Of the reagents used like photosensibilizers, with the ruthenium reagent, the best results were obtained. (Author)

  7. Solution of the porous media equation by Adomian's decomposition method

    International Nuclear Information System (INIS)

    Pamuk, Serdal

    2005-01-01

    The particular exact solutions of the porous media equation that usually occurs in nonlinear problems of heat and mass transfer, and in biological systems are obtained using Adomian's decomposition method. Also, numerical comparison of particular solutions in the decomposition method indicate that there is a very good agreement between the numerical solutions and particular exact solutions in terms of efficiency and accuracy

  8. Radiation chemistry of aqueous solutions of hydrazine at elevated temperatures: Pt. 2. Solutions containing oxygen

    International Nuclear Information System (INIS)

    Buxton, G.V.; Stuart, C.R.

    1997-01-01

    Here, we investigate the effects of oxygen on the radiation chemistry of hydrazine at elevated temperatures. The chemistry of this system is important to reactor coolant chemistry, particularly under start-up conditions when hydrazine is added to suppress corrosion which would otherwise be caused by the ingress of oxygen. The radiation chemistry of aqueous solutions of hydrazine has been investigated previously in the presence of oxygen by Ershov et al., but only at room temperature. In those experiments, both steady-state γ-radiolysis and pulse radiolysis were used to deduce the mechanism of decomposition of hydrazine in the presence of oxygen. (author)

  9. Metal Oxide Decomposition In Hydrothermal Alkaline Sodium Phosphate Solutions

    Energy Technology Data Exchange (ETDEWEB)

    S.E. Ziemniak

    2003-09-24

    Alkaline hydrothermal solutions of sodium orthophosphate (2.15 < Na/P < 2.75) are shown to decompose transition metal oxides into two families of sodium-metal ion-(hydroxy)phosphate compounds. Equilibria for these reactions are quantified by determining phosphate concentration-temperature thresholds for decomposition of five oxides in the series: Ti(IV), Cr(III), Fe(III, II), Ni(II) and Zn(II). By application of a computational chemistry method General Utility Lattice Program (GULP), it is demonstrated that the unique non-whole-number Na/P molar ratio of sodium ferric hydroxyphosphate is a consequence of its open-cage structure in which the H{sup +} and excess Na{sup +} ions are located.

  10. Molybdenum: the element and aqueous solution chemistry

    International Nuclear Information System (INIS)

    Sykes, A.G.

    1987-01-01

    This chapter on the chemistry of the coordination compounds of molybdenum concentrates on the element itself, its recovery from ores and its use in the manufacture of steels. Most of the chapter is devoted to the aqueous solution chemistry of molybdenum in oxidation states II, III and IV. (UK)

  11. Method for improved decomposition of metal nitrate solutions

    Science.gov (United States)

    Haas, Paul A.; Stines, William B.

    1983-10-11

    A method for co-conversion of aqueous solutions of one or more heavy metal nitrates wherein thermal decomposition within a temperature range of about 300.degree. to 800.degree. C. is carried out in the presence of about 50 to 500% molar concentration of ammonium nitrate to total metal.

  12. Solution chemistry of lanthanide complexes

    International Nuclear Information System (INIS)

    Brittain, H.G.

    1979-01-01

    Intermolecular energy transfer from Tb 3+ to Eu 3+ , luminescence intensity measurements, potentiometric titrations, differential absorption spectroscopy, and spectroscopic titrations were all used to study the binding of lanthanide ions by serine and threonine. At low pH (3.0 to 6.0) the complexes are mononuclear and ligand is only weakly bound. In the pH interval of 6.0 to 8.5 stronger interaction takes place between the ligand and the metal (with possible coordination of the undissociated hydroxyl group), and self-association of complexes becomes important. Above pH 8.5, base hydrolysis of the complexes leads to highly associated species in solution and shortly above this pH an insoluble precipitate is formed. It was found that energy could be transferred from Tb 3+ to Eu 3+ more efficiently among complexes prepared from racemic ligands than in complexes made from resolved ligand, but this stereoselectivity was only observed at pH values greater than 6.5 and in solutions having a 1:10 ratio of metal-to-ligand. No stereoselectivity was found in solutions having 1:5 ratios, and this observation was explained by the existence of 1:2 metal-ligand complexes existing in solutions having the higher ratio of metal-to-ligand (only 1:1 complexes are then found at lower ratios of metal-to-ligand). (author)

  13. Thermal decomposition studies of aqueous and nitric solutions of hydroxyurea

    International Nuclear Information System (INIS)

    Shekhar Kumar; Pranay Kumar Sinha; Kamachi Mudali, U.; Natarajan, R.

    2012-01-01

    Hydroxyurea and its derivatives are important nonsalt forming reductants in partitioning of uranium and plutonium in the nuclear fuel reprocessing operations. There is no experimental data available in open literature describing pressurization due to the thermal decomposition of aqueous and nitric solutions of hydroxyurea at elevated temperatures. Authors studied thermal decomposition of hydroxyurea-nitric acid system and resultant pressurization at various concentrations of nitric acid in an adiabatic calorimeter in closed-vent conditions. During these experiments, pressurization was observed. In this paper, results of these experiments have been discussed. (author)

  14. Synthesis of vanadium oxide powders by evaporative decomposition of solutions

    International Nuclear Information System (INIS)

    Lawton, S.A.; Theby, E.A.

    1995-01-01

    Powders of the vanadium oxides V 2 O 4 , V 6 O 13 , and V 2 O 5 were produced by thermal decomposition of aqueous solutions of vanadyl sulfate hydrate in atmospheres of N 2 , H 2 mixed with N 2 , or air. The composition of the oxide powder was determined by the reactor temperature and gas composition. Residual sulfur concentrations in powders produced by decomposition at 740 C were less than 1 at.%, and these powders consisted of hollow, roughly spherical aggregates of particles less than 1 microm in diameter

  15. A handbook of decomposition methods in analytical chemistry

    International Nuclear Information System (INIS)

    Bok, R.

    1984-01-01

    Decomposition methods of metals, alloys, fluxes, slags, calcine, inorganic salts, oxides, nitrides, carbides, borides, sulfides, ores, minerals, rocks, concentrates, glasses, ceramics, organic substances, polymers, phyto- and biological materials from the viewpoint of sample preparation for analysis have been described. The methods are systemitized according to decomposition principle: thermal with the use of electricity, irradiation, dissolution with participation of chemical reactions and without it. Special equipment for different decomposition methods is described. Bibliography contains 3420 references

  16. Solution chemistry techniques in SYNROC preparation

    International Nuclear Information System (INIS)

    Dosch, R.G.; Lynch, A.W.

    1981-07-01

    Investigations of titanate-based ceramic forms for radioactive waste immobilization are underway at Sandia National Laboratories (SNLA) and at Lawrence Livermore National Laboratory (LLNL). Although the waste forms differ as to overall product composition, the waste-containing phases in both ceramic products have similar crystalline structure types. These include metallic phases along with oxides with structure types of the mineral analogues perovskite, zirconolite, and hollandite. Significant differences also exist in the area of processing. More conventional ceramic processing methods are used at LLNL to produce SYNROC while solution chemistry techniques involving metal alkoxide chemistry and ion exchange have been developed at SNLA to prepare calcium titanate-based waste ceramics. The SNLA techniques were recently modified and applied to producing SYNROC (compositions C and D) as part of an interlaboratory information exchange between SNLA and LLNL. This report describes the methods used in preparing SYNROC including the solution interaction, and hot-pressing methods used to obtain fully dense SYNROC monoliths

  17. Analysis of benzoquinone decomposition in solution plasma process

    International Nuclear Information System (INIS)

    Bratescu, M.A.; Saito, N.

    2016-01-01

    The decomposition of p-benzoquinone (p-BQ) in Solution Plasma Processing (SPP) was analyzed by Coherent Anti-Stokes Raman Spectroscopy (CARS) by monitoring the change of the anti-Stokes signal intensity of the vibrational transitions of the molecule, during and after SPP. Just in the beginning of the SPP treatment, the CARS signal intensities of the ring vibrational molecular transitions increased under the influence of the electric field of plasma. The results show that plasma influences the p-BQ molecules in two ways: (i) plasma produces a polarization and an orientation of the molecules in the local electric field of plasma and (ii) the gas phase plasma supplies, in the liquid phase, hydrogen and hydroxyl radicals, which reduce or oxidize the molecules, respectively, generating different carboxylic acids. The decomposition of p-BQ after SPP was confirmed by UV-visible absorption spectroscopy and liquid chromatography

  18. Analysis of benzoquinone decomposition in solution plasma process

    Science.gov (United States)

    Bratescu, M. A.; Saito, N.

    2016-01-01

    The decomposition of p-benzoquinone (p-BQ) in Solution Plasma Processing (SPP) was analyzed by Coherent Anti-Stokes Raman Spectroscopy (CARS) by monitoring the change of the anti-Stokes signal intensity of the vibrational transitions of the molecule, during and after SPP. Just in the beginning of the SPP treatment, the CARS signal intensities of the ring vibrational molecular transitions increased under the influence of the electric field of plasma. The results show that plasma influences the p-BQ molecules in two ways: (i) plasma produces a polarization and an orientation of the molecules in the local electric field of plasma and (ii) the gas phase plasma supplies, in the liquid phase, hydrogen and hydroxyl radicals, which reduce or oxidize the molecules, respectively, generating different carboxylic acids. The decomposition of p-BQ after SPP was confirmed by UV-visible absorption spectroscopy and liquid chromatography.

  19. An evaluation of soil chemistry in human cadaver decomposition islands: Potential for estimating postmortem interval (PMI).

    Science.gov (United States)

    Fancher, J P; Aitkenhead-Peterson, J A; Farris, T; Mix, K; Schwab, A P; Wescott, D J; Hamilton, M D

    2017-10-01

    Soil samples from the Forensic Anthropology Research Facility (FARF) at Texas State University, San Marcos, TX, were analyzed for multiple soil characteristics from cadaver decomposition islands to a depth of 5centimeters (cm) from 63 human decomposition sites, as well as depths up to 15cm in a subset of 11 of the cadaver decomposition islands plus control soils. Postmortem interval (PMI) of the cadaver decomposition islands ranged from 6 to 1752 days. Some soil chemistry, including nitrate-N (NO 3 -N), ammonium-N (NH 4 -N), and dissolved inorganic carbon (DIC), peaked at early PMI values and their concentrations at 0-5cm returned to near control values over time likely due to translocation down the soil profile. Other soil chemistry, including dissolved organic carbon (DOC), dissolved organic nitrogen (DON), orthophosphate-P (PO 4 -P), sodium (Na + ), and potassium (K + ), remained higher than the control soil up to a PMI of 1752days postmortem. The body mass index (BMI) of the cadaver appeared to have some effect on the cadaver decomposition island chemistry. To estimate PMI using soil chemistry, backward, stepwise multiple regression analysis was used with PMI as the dependent variable and soil chemistry, body mass index (BMI) and physical soil characteristics such as saturated hydraulic conductivity as independent variables. Measures of soil parameters derived from predator and microbial mediated decomposition of human remains shows promise in estimating PMI to within 365days for a period up to nearly five years. This persistent change in soil chemistry extends the ability to estimate PMI beyond the traditionally utilized methods of entomology and taphonomy in support of medical-legal investigations, humanitarian recovery efforts, and criminal and civil cases. Copyright © 2017 Elsevier B.V. All rights reserved.

  20. Organoactinide chemistry: synthesis, structure, and solution dynamics

    International Nuclear Information System (INIS)

    Brennan, J.G.

    1985-12-01

    This thesis considers three aspects of organoactinide chemistry. In chapter one, a bidentate phosphine ligand was used to kinetically stabilize complexes of the type Cp 2 MX 2 . Ligand redistribution processes are present throughout the synthetic work, as has often been observed in uranium cyclopentadienyl chemistry. The effects of covalent M-L bonding on the solution and solid state properties of U(III) coordination complexes are considered. In particular, the nature of the more subtle interaction between the metal and the neutral ligand are examined. Using relative basicity data obtained in solution, and solid state structural data (and supplemented by gas phase photoelectron measurements), it is demonstrated that the more electron rich U(III) centers engage in significant U → L π-donation. Trivalent uranium is shown to be capable of acting either as a one- or two-electron reducing agent toward a wide variety of unsaturated organic and inorganic molecules, generating molecular classes unobtainable via traditional synthetic approaches, as well as offering an alternative synthetic approach to molecules accessible via metathesis reactions. Ligand redistribution processes are again observed, but given the information concerning ligand lability, this reactivity pattern is applied to the synthesis of pure materials inaccessible from redox chemistry. 214 refs., 33 figs., 10 tabs

  1. Decomposition Technology Development of Organic Component in a Decontamination Waste Solution

    International Nuclear Information System (INIS)

    Jung, Chong Hun; Oh, W. Z.; Won, H. J.; Choi, W. K.; Kim, G. N.; Moon, J. K.

    2007-11-01

    Through the project of 'Decomposition Technology Development of Organic Component in a Decontamination Waste Solution', the followings were studied. 1. Investigation of decontamination characteristics of chemical decontamination process 2. Analysis of COD, ferrous ion concentration, hydrogen peroxide concentration 3. Decomposition tests of hardly decomposable organic compounds 4. Improvement of organic acid decomposition process by ultrasonic wave and UV light 5. Optimization of decomposition process using a surrogate decontamination waste solution

  2. Decomposition Technology Development of Organic Component in a Decontamination Waste Solution

    Energy Technology Data Exchange (ETDEWEB)

    Jung, Chong Hun; Oh, W. Z.; Won, H. J.; Choi, W. K.; Kim, G. N.; Moon, J. K

    2007-11-15

    Through the project of 'Decomposition Technology Development of Organic Component in a Decontamination Waste Solution', the followings were studied. 1. Investigation of decontamination characteristics of chemical decontamination process 2. Analysis of COD, ferrous ion concentration, hydrogen peroxide concentration 3. Decomposition tests of hardly decomposable organic compounds 4. Improvement of organic acid decomposition process by ultrasonic wave and UV light 5. Optimization of decomposition process using a surrogate decontamination waste solution.

  3. Construct solitary solutions of discrete hybrid equation by Adomian Decomposition Method

    International Nuclear Information System (INIS)

    Wang Zhen; Zhang Hongqing

    2009-01-01

    In this paper, we apply the Adomian Decomposition Method to solving the differential-difference equations. A typical example is applied to illustrate the validity and the great potential of the Adomian Decomposition Method in solving differential-difference equation. Kink shaped solitary solution and Bell shaped solitary solution are presented. Comparisons are made between the results of the proposed method and exact solutions. The results show that the Adomian Decomposition Method is an attractive method in solving the differential-difference equations.

  4. Role of electrodes in ambient electrolytic decomposition of hydroxylammonium nitrate (HAN) solutions

    OpenAIRE

    Koh, Kai Seng; Chin, Jitkai; Wahida Ku Chik, Tengku F.

    2013-01-01

    Decomposition of hydroxylammonium nitrate (HAN) solution with electrolytic decomposition method has attracted much attention in recent years due to its efficiencies and practicability. However, the phenomenon has not been well-studied till now. By utilizing mathematical model currently available, the effect of water content and power used for decomposition was studied. Experiment data shows that sacrificial material such as copper or aluminum outperforms inert electrodes in the decomposition ...

  5. Effects of fire frequency on litter decomposition as mediated by changes to litter chemistry and soil environmental conditions.

    Directory of Open Access Journals (Sweden)

    Cari D Ficken

    Full Text Available Litter quality and soil environmental conditions are well-studied drivers influencing decomposition rates, but the role played by disturbance legacy, such as fire history, in mediating these drivers is not well understood. Fire history may impact decomposition directly, through changes in soil conditions that impact microbial function, or indirectly, through shifts in plant community composition and litter chemistry. Here, we compared early-stage decomposition rates across longleaf pine forest blocks managed with varying fire frequencies (annual burns, triennial burns, fire-suppression. Using a reciprocal transplant design, we examined how litter chemistry and soil characteristics independently and jointly influenced litter decomposition. We found that both litter chemistry and soil environmental conditions influenced decomposition rates, but only the former was affected by historical fire frequency. Litter from annually burned sites had higher nitrogen content than litter from triennially burned and fire suppression sites, but this was correlated with only a modest increase in decomposition rates. Soil environmental conditions had a larger impact on decomposition than litter chemistry. Across the landscape, decomposition differed more along soil moisture gradients than across fire management regimes. These findings suggest that fire frequency has a limited effect on litter decomposition in this ecosystem, and encourage extending current decomposition frameworks into disturbed systems. However, litter from different species lost different masses due to fire, suggesting that fire may impact decomposition through the preferential combustion of some litter types. Overall, our findings also emphasize the important role of spatial variability in soil environmental conditions, which may be tied to fire frequency across large spatial scales, in driving decomposition rates in this system.

  6. Effects of fire frequency on litter decomposition as mediated by changes to litter chemistry and soil environmental conditions.

    Science.gov (United States)

    Ficken, Cari D; Wright, Justin P

    2017-01-01

    Litter quality and soil environmental conditions are well-studied drivers influencing decomposition rates, but the role played by disturbance legacy, such as fire history, in mediating these drivers is not well understood. Fire history may impact decomposition directly, through changes in soil conditions that impact microbial function, or indirectly, through shifts in plant community composition and litter chemistry. Here, we compared early-stage decomposition rates across longleaf pine forest blocks managed with varying fire frequencies (annual burns, triennial burns, fire-suppression). Using a reciprocal transplant design, we examined how litter chemistry and soil characteristics independently and jointly influenced litter decomposition. We found that both litter chemistry and soil environmental conditions influenced decomposition rates, but only the former was affected by historical fire frequency. Litter from annually burned sites had higher nitrogen content than litter from triennially burned and fire suppression sites, but this was correlated with only a modest increase in decomposition rates. Soil environmental conditions had a larger impact on decomposition than litter chemistry. Across the landscape, decomposition differed more along soil moisture gradients than across fire management regimes. These findings suggest that fire frequency has a limited effect on litter decomposition in this ecosystem, and encourage extending current decomposition frameworks into disturbed systems. However, litter from different species lost different masses due to fire, suggesting that fire may impact decomposition through the preferential combustion of some litter types. Overall, our findings also emphasize the important role of spatial variability in soil environmental conditions, which may be tied to fire frequency across large spatial scales, in driving decomposition rates in this system.

  7. Radiation chemistry of aqueous solutions of acetonitrile and propionitrile

    International Nuclear Information System (INIS)

    Shushtarian, M.J.

    1975-01-01

    The radiation chemistry of water and aqueous solutions is a branch of radiation chemistry dealing with chemical changes in water and aqueous solutions induced by high energy radiations. High energy radiations of interest in radiation chemistry are short-wave electromagnetic radiations (X- and γ-rays) and fast charged particles (α- and β-particles, electrons, deuterons and fission fragments). The energy of the particles and photons bringing about chemical reactions in the field of modern radiation chemistry is much higher than that of photons causing photochemical reactions

  8. Role of electrodes in ambient electrolytic decomposition of hydroxylammonium nitrate (HAN solutions

    Directory of Open Access Journals (Sweden)

    Kai Seng Koh

    2013-09-01

    Full Text Available Decomposition of hydroxylammonium nitrate (HAN solution with electrolytic decomposition method has attracted much attention in recent years due to its efficiencies and practicability. However, the phenomenon has not been well-studied till now. By utilizing mathematical model currently available, the effect of water content and power used for decomposition was studied. Experiment data shows that sacrificial material such as copper or aluminum outperforms inert electrodes in the decomposition of HAN solution. In the case of using copper wire to electrolyse HAN solutions, approximately 10 seconds is required to reach 100 °C regardless of concentration of HAN. In term of power consumption, 100 W–300 W was found to be the range in which decomposition could be triggered effectively using copper wire as electrodes.

  9. Solutions to selected exercise problems in quantum chemistry and spectroscopy

    DEFF Research Database (Denmark)

    Spanget-Larsen, Jens

    2016-01-01

    Suggested solutions to a number of problems from the collection "Exercise Problems in Quantum Chemistry and Spectroscopy", previously published on ResearchGate (DOI: 10.13140/RG.2.1.4024.8162).......Suggested solutions to a number of problems from the collection "Exercise Problems in Quantum Chemistry and Spectroscopy", previously published on ResearchGate (DOI: 10.13140/RG.2.1.4024.8162)....

  10. The influence of temperature on the decomposition kinetics of peracetic acid in solutions

    Directory of Open Access Journals (Sweden)

    Kunigk L.

    2001-01-01

    Full Text Available Peracetic acid is a powerful sanitizer that has only recently been introduced in the Brazilian food industry. The main disadvantage of this sanitizer is its decomposition rate. The main purpose of this paper is to present results obtained in experiments carried out to study the decomposition kinetics of peracetic acid in aqueous solutions at 25, 35, 40 and 45 °C. The decompositon of peracetic acid is a first-order reaction. The decomposition rate constants are between 1.71x10-3 h -1 for 25 °C and 9.64x10-3 h-1 for 45 °C. The decomposition rate constant is affected by temperature according to the Arrhenius equation, and the activation energy for the decomposition of peracetic acid in aqueous solutions prepared from the commercial formulation used in this work is 66.20 kJ/mol.

  11. Dense interstellar cloud chemistry: Basic issues and possible dynamical solution

    International Nuclear Information System (INIS)

    Prasad, S.S.; Heere, K.R.; Tarafdar, S.P.

    1989-01-01

    Standing at crossroad of enthusiasm and frustration, dense intertellar cloud chemistry has a squarely posed fundamental problem: Why do the grains appear to play at best a minor role in the chemistry? Grain surface chemistry creates considerable difficulties when the authors treat dense clouds as static objects and ignore the implications of the processes by which the clouds became dense in the first place. A new generation of models which treat chemical and dynamical evolutions concurrently are therefore presented as possible solution to the current frustrations. The proposed modeling philosophy and agenda could make the next decade quite exciting for interstellar chemistry

  12. Photocatalytic decomposition of cortisone acetate in aqueous solution

    NARCIS (Netherlands)

    Sobral Romao, J.I.; Saad, M.H.; Mul, Guido; Baltrusaitis, Jonas

    2015-01-01

    The photocatalytic decomposition of cortisone 21-acetate (CA), a model compound for the commonly used steroid, cortisone, was studied. CA was photocatalytically decomposed in a slurry reactor with the initial rates between 0.11 and 0.46 mg L−1 min−1 at 10 mg L−1 concentration, using the following

  13. Thermal decomposition of dilute aqueous formic acid solutions

    DEFF Research Database (Denmark)

    Bjerre, A.B.; Sørensen, E.

    1992-01-01

    or a decarboxylation. In particular the second one is dependent on the reactor vessel used. It is shown to be catalyzed by a mixture of oxides of stainless steel components. The presence of CH3COOH or CH3CHO promotes the decomposition of HCOOH by way of both decarboxylation and oxidation. In any case formic acid...

  14. Radiation chemistry of amino acids and peptides in aqueous solutions

    International Nuclear Information System (INIS)

    Simic, M.G.

    1978-01-01

    Radiation chemistry relevant to radiation preservation of high protein foods is reviewed. Some conclusions concerning the chemistry of irradiated amino acids, peptides, and proteins have been derived from product analysis of γ-irradiated solutions while the main mechanistic considerations result from the chemistry and kinetics of free radical intermediates observed by pulse radiolysis. The precursors of chemistry in not too concentrated solutions ( - , OH, and H. Their reactivity with molecules and their preference for characteristic groups within the molecule are discussed. The reviewed reactions of the model systems are accountable for a variety of radiolytic products found in irradiated foods. From detailed understanding of radiation chemistry in aqueous and frozen systems formation of many classes of compounds can be predicted or entirely eliminated in order to corroborate and extend the conclusions reached from the animal feeding experiments concerning the formation of toxic, mutagenic, and carcinogenic compounds and/or reduction of the nutritional value of foods

  15. On mechanism of chlorophos radiation-chemical decomposition in aqueous solutions

    International Nuclear Information System (INIS)

    Danilin, D.I.; Shubin, V.N.

    1992-01-01

    Quantitative indices of chlorophos decomposition in a aqueous solution and in solutions with a number of additions are studied. Chlorine ions and substances containing the carbonyl group are found among the products of gamma-irradiation of low-concentration chlorophos solutions. The data supporting the running of radiation destructive reactions of reduction nature rather than oxidation type, are presented

  16. Numerical soliton-like solutions of the potential Kadomtsev-Petviashvili equation by the decomposition method

    International Nuclear Information System (INIS)

    Kaya, Dogan; El-Sayed, Salah M.

    2003-01-01

    In this Letter we present an Adomian's decomposition method (shortly ADM) for obtaining the numerical soliton-like solutions of the potential Kadomtsev-Petviashvili (shortly PKP) equation. We will prove the convergence of the ADM. We obtain the exact and numerical solitary-wave solutions of the PKP equation for certain initial conditions. Then ADM yields the analytic approximate solution with fast convergence rate and high accuracy through previous works. The numerical solutions are compared with the known analytical solutions

  17. Biological decomposition of aqueous solutions from soil cleaning

    International Nuclear Information System (INIS)

    Kniebusch, M.M.; Sekoulov, I.

    1993-01-01

    The biological cleaning of process water from soil cleaning and from contaminated groundwater required the development of new types of reaction systems. With the introduced membrane biofilm reactor, even substances difficult to decompose can be removed from contaminated water. Previous investigations of the elimination of pyrene in the presence of n-hexadecane show an optimum temperature at 30 C. An increase of scale is possible based on the invesstigations carried out on the aerobic biological decomposition of polycyclic aromatic hydrocarbons. (orig.) [de

  18. Radiation-induced decomposition of aqueous trichloroethylene solutions

    International Nuclear Information System (INIS)

    Gehringer, P.; Proksch, E.; Szinovatz, W.; Eschweiler, H.

    1988-01-01

    In air-saturated reagent grade water, 10 ppm trichloroethylene are decomposed by γ radiation in a roughly first-order reaction; the initial G-value being 5.4 molecules/100 eV. At sub-ppm concentrations the kinetics remain roughly first-order; the initial G-values decrease with decreasing concentration. The main decomposition products are Cl - , CO 2 and HCOOH. A tentative reaction scheme in accordance with these results is presented. (author)

  19. Chemistry of decomposition of freshwater wetland sedimentary organic material during ramped pyrolysis

    Science.gov (United States)

    Williams, E. K.; Rosenheim, B. E.

    2011-12-01

    Ramped pyrolysis methodology, such as that used in the programmed-temperature pyrolysis/combustion system (PTP/CS), improves radiocarbon analysis of geologic materials devoid of authigenic carbonate compounds and with low concentrations of extractable authochthonous organic molecules. The approach has improved sediment chronology in organic-rich sediments proximal to Antarctic ice shelves (Rosenheim et al., 2008) and constrained the carbon sequestration potential of suspended sediments in the lower Mississippi River (Roe et al., in review). Although ramped pyrolysis allows for separation of sedimentary organic material based upon relative reactivity, chemical information (i.e. chemical composition of pyrolysis products) is lost during the in-line combustion of pyrolysis products. A first order approximation of ramped pyrolysis/combustion system CO2 evolution, employing a simple Gaussian decomposition routine, has been useful (Rosenheim et al., 2008), but improvements may be possible. First, without prior compound-specific extractions, the molecular composition of sedimentary organic matter is unknown and/or unidentifiable. Second, even if determined as constituents of sedimentary organic material, many organic compounds have unknown or variable decomposition temperatures. Third, mixtures of organic compounds may result in significant chemistry within the pyrolysis reactor, prior to introduction of oxygen along the flow path. Gaussian decomposition of the reaction rate may be too simple to fully explain the combination of these factors. To relate both the radiocarbon age over different temperature intervals and the pyrolysis reaction thermograph (temperature (°C) vs. CO2 evolved (μmol)) obtained from PTP/CS to chemical composition of sedimentary organic material, we present a modeling framework developed based upon the ramped pyrolysis decomposition of simple mixtures of organic compounds (i.e. cellulose, lignin, plant fatty acids, etc.) often found in sedimentary

  20. Solution of the isotopic depletion equation using decomposition method and analytical solution

    Energy Technology Data Exchange (ETDEWEB)

    Prata, Fabiano S.; Silva, Fernando C.; Martinez, Aquilino S., E-mail: fprata@con.ufrj.br, E-mail: fernando@con.ufrj.br, E-mail: aquilino@lmp.ufrj.br [Coordenacao dos Programas de Pos-Graduacao de Engenharia (PEN/COPPE/UFRJ), RJ (Brazil). Programa de Engenharia Nuclear

    2011-07-01

    In this paper an analytical calculation of the isotopic depletion equations is proposed, featuring a chain of major isotopes found in a typical PWR reactor. Part of this chain allows feedback reactions of (n,2n) type. The method is based on decoupling the equations describing feedback from the rest of the chain by using the decomposition method, with analytical solutions for the other isotopes present in the chain. The method was implemented in a PWR reactor simulation code, that makes use of the nodal expansion method (NEM) to solve the neutron diffusion equation, describing the spatial distribution of neutron flux inside the reactor core. Because isotopic depletion calculation module is the most computationally intensive process within simulation systems of nuclear reactor core, it is justified to look for a method that is both efficient and fast, with the objective of evaluating a larger number of core configurations in a short amount of time. (author)

  1. Solution of the isotopic depletion equation using decomposition method and analytical solution

    International Nuclear Information System (INIS)

    Prata, Fabiano S.; Silva, Fernando C.; Martinez, Aquilino S.

    2011-01-01

    In this paper an analytical calculation of the isotopic depletion equations is proposed, featuring a chain of major isotopes found in a typical PWR reactor. Part of this chain allows feedback reactions of (n,2n) type. The method is based on decoupling the equations describing feedback from the rest of the chain by using the decomposition method, with analytical solutions for the other isotopes present in the chain. The method was implemented in a PWR reactor simulation code, that makes use of the nodal expansion method (NEM) to solve the neutron diffusion equation, describing the spatial distribution of neutron flux inside the reactor core. Because isotopic depletion calculation module is the most computationally intensive process within simulation systems of nuclear reactor core, it is justified to look for a method that is both efficient and fast, with the objective of evaluating a larger number of core configurations in a short amount of time. (author)

  2. Effect of Ultrasound on the Decomposition of Sodium Dodecylbenzene Sulfonate in Aqueous Solution

    International Nuclear Information System (INIS)

    Yim, Bong Been

    2004-01-01

    The influence of ultrasound frequency, dissolved gases, and initial concentration on the decomposition of sodium dodecylbenzene sulfonate(DBS) aqueous solution was investigated using ultrasound generator with 200 W ultrasound power. The decomposition rates at three frequencies(50, 200, and 600 kHz) examined under argon atmosphere were highest at 200 kHz. The highest observed decomposition rate at 200 kHz occurred in the presence of oxygen followed by air and argon, helium, and nitrogen. The effect of initial concentration of DBS on the ultrasonic decomposition was decreased with increasing initial concentration and would depend upon the formation of micelle in aqueous solution. It appears that the ultrasound frequency, dissolved gases, and initial concentration play an important role on the sonolysis of DBS. Sonolysis of DBS mainly take place at the interfacial region of cavitation bubbles by both OH radical attack and pyrolysis to alkyl chain, aromatic ring, and headgroup

  3. The influence of temperature on the decomposition kinetics of peracetic acid in solutions

    OpenAIRE

    Kunigk, L.; Gomes, D.R.; Forte, F.; Vidal, K.P.; Gomes, L.F.; Sousa, P.F.

    2001-01-01

    Peracetic acid is a powerful sanitizer that has only recently been introduced in the Brazilian food industry. The main disadvantage of this sanitizer is its decomposition rate. The main purpose of this paper is to present results obtained in experiments carried out to study the decomposition kinetics of peracetic acid in aqueous solutions at 25, 35, 40 and 45 °C. The decompositon of peracetic acid is a first-order reaction. The decomposition rate constants are between 1.71x10-3 h -1 for 25 °C...

  4. Solution Calorimetry Experiments for Physical Chemistry.

    Science.gov (United States)

    Raizen, Deborah A.; And Others

    1988-01-01

    Presents two experiments: the first one measures the heat of an exothermic reaction by the reduction of permanganate by the ferris ion; the second one measures the heat of an endothermic process, the mixing of ethanol and cyclohexane. Lists tables to aid in the use of the solution calorimeter. (MVL)

  5. Complex chemistry of Np(V) in aqueous solutions

    International Nuclear Information System (INIS)

    Inoue, Yasushi

    1989-01-01

    Despite the importance of Np(V) in both the nuclear chemical engineering and the actinoid chemistry, little work has been performed on the complex chemistry of Np(V) in aqueous solutions, since Np(V) reacts less readily with various ligands. The author has directed his effort to understand the chemical behavior of Np(V) in aqueous solutions, especially the determination of the stability constants of Np(V) complexes with various ligands. A part of the results obtained so far is presented in the following order. (1) The synergistic extraction of Np(V) as a method for studying the complex chemistry of Np(V): TTA-MTOA(methyltrioctylammonium chloride), TTA-phen and TTA-TOPO. (2) The determination of the stability constants of Np(V) complexes with 22 organic- and 5 inorganic ligands by means of the solvent extraction. (3) The distribution of the chemical species of Np(V) in solutions under various conditions

  6. Solution chemistry and separation of metal ions in leached solution

    International Nuclear Information System (INIS)

    Shibata, J.

    1991-01-01

    The method to presume a dissolved state of metal ions in an aqueous solution and the technology to separate and concentrate metal ions in a leached solution are described in this paper. It is very important for the separation of metal ions to know the dissolved state of metal ions. If we know the composition of an aqueous solution and the stability constants of metal-ligand complexes, we can calculate and estimate the concentration of each species in the solution. Then, we can decide the policy to separate and concentrate metal ions. There are several methods for separation and purification; hydroxide precipitation method, sulfide precipitation method, solvent extraction method and ion exchange resin method. Solvent extraction has been used in purification processes of copper refinery, uranium refinery, platinum metal refinery and rare earth metal refinery. Fundamental process of solvent extraction, a kind of commercial extractants, a way of determining a suitable extractant and an equipment are discussed. Finally, it will be emphasized how the separation of rare earths is improved in solvent extraction. (author) 21 figs., 8 tabs., 8 refs

  7. Decomposition features of a supersaturated solid solution in the Mg-3.3 wt. % Yb alloy

    International Nuclear Information System (INIS)

    Dobromyslov, A.V.; Kajgorodova, L.I.; Sukhanov, V.D.; Dobatkina, T.V.

    2007-01-01

    Methods of electron microscopy, hardness measuring and X-ray diffraction analysis are applied to study decomposition kinetics for a supersaturated solid solution in a Mg-3.3 mas. % alloy on aging within a temperature range of 150-225 deg C. The mechanism of supersaturation solid solution decomposition is revealed along with the nature of phases precipitated at various stages of aging: on incomplete and extended aging as well as at maximum hardness. The types of structural constituents responsible for changes of hardness on aging are determined [ru

  8. Low temperature kinetics of In-Cd solid solution decomposition

    Czech Academy of Sciences Publication Activity Database

    Pal-Val, P.P.; Pal-Val, L.N.; Ostapovets, A.A.; Vaněk, Přemysl

    2008-01-01

    Roč. 137, - (2008), s. 35-42 ISSN 1012-0394 Institutional research plan: CEZ:AV0Z10100520 Keywords : low temperatures * In-based alloys * solid solutions * isothermal structure instability * Young's modulus * electrical resistivity * phase diagrams Subject RIV: BM - Solid Matter Physics ; Magnetism http://www.scientific.net/3-908451-53-1/35/

  9. Y2O3-MgO Nano-Composite Synthesized by Plasma Spraying and Thermal Decomposition of Solution Precursors

    Science.gov (United States)

    Muoto, Chigozie Kenechukwu

    This research aims to identify the key feedstock characteristics and processing conditions to produce Y2O3-MgO composite coatings with high density and hardness using solution precursor plasma spray (SPPS) and suspension plasma spray (SPS) processes, and also, to explore the phenomena involved in the production of homogenized nano-composite powders of this material system by thermal decomposition of solution precursor mixtures. The material system would find potential application in the fabrication of components for optical applications such as transparent windows. It was shown that a lack of major endothermic events during precursor decomposition and the resultant formation of highly dense particles upon pyrolysis are critical precursor characteristics for the deposition of dense and hard Y2O3-MgO coatings by SPPS. Using these principles, a new Y2O3-MgO precursor solution was developed, which yielded a coating with Vickers hardness of 560 Hv. This was a considerable improvement over the hardness of the coatings obtained using conventional solution precursors, which was as low as 110 Hv. In the thermal decomposition synthesis process, binary solution precursor mixtures of: yttrium nitrate (Y[n]) or yttrium acetate (Y[a]), with magnesium nitrate (Mg[n]) or magnesium acetate (Mg[a]) were used in order to study the effects of precursor chemistry on the structural characteristics of the resultant Y2O3-MgO powders. The phase domains were coarse and distributed rather inhomogeneously in the materials obtained from the Y[n]Mg[n] and Y[a]Mg[a] mixtures; finer and more homogeneously-distributed phase domains were obtained for ceramics produced from the Y[a]Mg[n] and Y[n]Mg[a] mixtures. It was established that these phenomena were related to the thermal characteristics for the decomposition of the precursors and their effect on phase separation during oxide crystallization. Addition of ammonium acetate to the Y[n[Mg[n] mixture changed the endothermic process to exothermic

  10. The aluminum chemistry and corrosion in alkaline solutions

    International Nuclear Information System (INIS)

    Zhang Jinsuo; Klasky, Marc; Letellier, Bruce C.

    2009-01-01

    Aluminum-alkaline solution systems are very common in engineering applications including nuclear engineering. Consequently, a thorough knowledge of the chemistry of aluminum and susceptibility to corrosion in alkaline solutions is reviewed. The aluminum corrosion mechanism and corrosion rate are examined based on current experimental data. A review of the phase transitions with aging time and change of environment is also performed. Particular attention is given to effect of organic and inorganic ions. As an example, the effect of boron is examined in detail because of the application in nuclear reactor power systems. Methods on how to reduce the corrosion rate of aluminum in alkaline solutions are also highlighted

  11. Influence of concentration on the radiolytic decomposition of thiamine, riboflavin, and pyridoxine in aqueous solution

    Directory of Open Access Journals (Sweden)

    Guadalupe Albarrán

    2014-10-01

    Full Text Available Vitamin loss during irradiation has been claimed as a critical area in food irradiation technology, especially that of thiamine (B1, which has been considered as the most sensitive to radiation. Although it has been suggested that no vitamin deficiency could result from consuming irradiated food, a long debate on the loss of vitamins and other nutrients during food irradiation has been maintained by the lack of experimental studies monitoring decomposition rates at different concentrations and doses. Since thiamine, riboflavin, and pyridoxine are labile vitamins, this study has focused on their radiolytic decomposition in dilute aqueous solutions in the presence of air. The decomposition process was followed by HPLC and UV-spectroscopy. The results obtained in aqueous solutions showed a dependence of the decomposition as a nonlinear function of the dose. Of these three compounds, the decomposition was higher for thiamine than for riboflavin and even less in pyridoxine.

  12. The Enthalpy of Decomposition of Hydrogen Peroxide: A General Chemistry Calorimetry Experiment

    Science.gov (United States)

    Marzzacco, Charles J.

    1999-11-01

    A calorimetry experiment involving the catalytic decomposition of aqueous hydrogen peroxide is presented. The experiment is simple, inexpensive, and colorful. In its simplest form, it can be performed in less than one hour; therefore, it is quite suitable for high school labs, which often have time restrictions. The chemicals required are household or commercial 3% H2O2(aq) and 0.50 M Fe(NO3)3(aq). Styrofoam cup calorimeters and thermometers with a range from 20 to 50 oC are also required. Ideally, the thermometers should be precise to 0.01 oC. The temperature of the H2O2 solution is monitored before and after the Fe(NO3)3 catalyst is added. The addition of the catalyst results in a color change and the evolution of heat and bubbles of oxygen. At the conclusion of the reaction, the color of the reaction mixture returns to that of the original Fe(NO3)3 solution. The heat change for the reaction is determined from the temperature change, the specific heat of the solution, and the calorimeter constant. The experimental enthalpy change for the reaction is in excellent agreement with the literature value.

  13. Molecular Twister: A Game for Exploring Solution Chemistry

    OpenAIRE

    Masonjones, Sawyer R.; Masonjones, Heather D.; Malone, Megan C.; Williams, Ann H.; Beemer, Margaret M.; Waggett, Rebecca J.

    2014-01-01

    pH is an essential biological concept with critical importance at various scales, from the molecular level, dealing with blood buffers, homeostasis, and proton gradients, all the way up to the ecosystem level, with soil chemistry and acid rain. However, pH is also a concept that spawns student misconceptions and misunderstanding in terms of what is happening in a solution on the atomic level. The Molecular Twister game, created for a Florida Department of Education funded professional develop...

  14. Solution of the neutron transport problem with anisotropic scattering in cylindrical geometry by the decomposition method

    International Nuclear Information System (INIS)

    Goncalves, G.A.; Bogado Leite, S.Q.; Vilhena, M.T. de

    2009-01-01

    An analytical solution has been obtained for the one-speed stationary neutron transport problem, in an infinitely long cylinder with anisotropic scattering by the decomposition method. Series expansions of the angular flux distribution are proposed in terms of suitably constructed functions, recursively obtainable from the isotropic solution, to take into account anisotropy. As for the isotropic problem, an accurate closed-form solution was chosen for the problem with internal source and constant incident radiation, obtained from an integral transformation technique and the F N method

  15. Correlation of foliage and litter chemistry of sugar maple, Acer saccharum, as affected by elevated CO2 and varying N availability, and effects on decomposition

    Science.gov (United States)

    J. S. King; K. S. Pregitzer; D. R. Zak; M. E. Kubiske; W. E. Holmes

    2001-01-01

    Rising atmospheric carbon dioxide has the potential to alter leaf litter chemistry, potentially affecting decomposition and rates of carbon and nitrogen cycling in forest ecosystems. This study was conducted to determine whether growth under elevated atmospheric CO2 altered the quality and microbial decomposition of leaf litter of a widely...

  16. Physical chemistry of the interface between oxide and aqueous solution

    International Nuclear Information System (INIS)

    Jolivet, J.P.

    1997-01-01

    The behavior and properties of small oxide particles in aqueous suspension are dominated by the physico-chemistry of their surface. It is electrostatically charged and strongly solvated. The origin of the surface charge is discussed through the MUSIC model [Hiemstra 1996], allowing to estimate the acid-base behavior of surface oxygen atoms. The stability of aqueous dispersions of particles is analysed following the DLVO model, with a special attention on the hydration layers allowing the peptization of flocs. Different adsorption mechanisms of metal cations are presented in terms of coordination chemistry (outer- and inner-sphere complexes) emphasizing the coordinating ability of the surface towards metal complexes in solution. The anion adsorption is also studied in relation with some interesting consequences on spinel iron oxide nano-particles. (author)

  17. FURFURAL YIELD AND DECOMPOSITION IN SODIUM 2,4DIMETHYLBENZENESULFONATE--SULFURIC ACID--WATER SOLUTIONS.

    Science.gov (United States)

    Batch-type microreactors (about 1/40 milliliter of reactants) were used to measure furfural yields from acidified xylose solutions containing sodium...It was found that presence of the salt did not affect the quantity of furfural produced, but greatly increased the rate of formation. The regular...increase in rate of furfural formation was directly related to the increase in the rate xylose decomposition, and furfural yields for all salt and acid

  18. Systems-based decomposition schemes for the approximate solution of multi-term fractional differential equations

    Science.gov (United States)

    Ford, Neville J.; Connolly, Joseph A.

    2009-07-01

    We give a comparison of the efficiency of three alternative decomposition schemes for the approximate solution of multi-term fractional differential equations using the Caputo form of the fractional derivative. The schemes we compare are based on conversion of the original problem into a system of equations. We review alternative approaches and consider how the most appropriate numerical scheme may be chosen to solve a particular equation.

  19. Approximate rational Jacobi elliptic function solutions of the fractional differential equations via the enhanced Adomian decomposition method

    International Nuclear Information System (INIS)

    Song Lina; Wang Weiguo

    2010-01-01

    In this Letter, an enhanced Adomian decomposition method which introduces the h-curve of the homotopy analysis method into the standard Adomian decomposition method is proposed. Some examples prove that this method can derive successfully approximate rational Jacobi elliptic function solutions of the fractional differential equations.

  20. The radiation chemistry of aqueous sodium terephthalate solutions

    International Nuclear Information System (INIS)

    Matthews, R.W.

    1980-04-01

    The radiation chemistry of cobalt-60 gamma-irradiated aqueous sodium terephthalate solutions has been studied. In aerated 4 x 10 -4 M sodium hydroxide solutions, the main products are hydroxyterephthalate (HTA) (G = 0.99 +- 0.01), carbonate (G = 1.31 +- 0.08), and peroxides (G = 2.84 +- 0.04). The HTA and carbonate species are both formed as a result of hydroxyl radical attack and account for approximately 90 per cent of hydroxyl radical reactions. Oxygen needs to be present for efficient conversion of the terephthalate-OH radical adduct to HTA and oxygenation increases G(HTA) above the aerated solution value. G(HTA) is unaffected by changes in terephthalate concentration between 1 x 10 -4 M and 1 x 10 -2 M in sodium hydroxide solutions at pH 10. Decreasing the solution pH does however affect G(HTA). In phosphate buffered solutions pH 6.85, G(HTA) is 0.93 +- 0.01 and lower values are obtained with further decrease in solution pH. The lowering of the G(HTA) value is attributed to recombination reactions between the terephthalate-OH radical products and reducing radical products. Experimental evidence supporting the recombination postulate was obtained from the measurement of a parallel decrease in the peroxide yield and the observation of a dose rate effect on G(HTA). Competition kinetic studies with the added solutes carbonate and bicarbonate gave the rate ratios k (OH + TA 2- ) : k(OH + CO 3 2- ) : k(OH + HCO 3 - ) = 1 : 0.105 : 0.0036

  1. Approximate Analytic Solutions for the Two-Phase Stefan Problem Using the Adomian Decomposition Method

    Directory of Open Access Journals (Sweden)

    Xiao-Ying Qin

    2014-01-01

    Full Text Available An Adomian decomposition method (ADM is applied to solve a two-phase Stefan problem that describes the pure metal solidification process. In contrast to traditional analytical methods, ADM avoids complex mathematical derivations and does not require coordinate transformation for elimination of the unknown moving boundary. Based on polynomial approximations for some known and unknown boundary functions, approximate analytic solutions for the model with undetermined coefficients are obtained using ADM. Substitution of these expressions into other equations and boundary conditions of the model generates some function identities with the undetermined coefficients. By determining these coefficients, approximate analytic solutions for the model are obtained. A concrete example of the solution shows that this method can easily be implemented in MATLAB and has a fast convergence rate. This is an efficient method for finding approximate analytic solutions for the Stefan and the inverse Stefan problems.

  2. Photochemical decomposition of Formaldehyde in solution.; Descomposicion fotoquimica de formaldehido en solucion.

    Energy Technology Data Exchange (ETDEWEB)

    Garrido Z, G

    1995-10-01

    In this work was studied the effect of ultraviolet radiation produced by a mercury low pressure lamp in solutions of formaldehyde. These solutions were exposed to ultraviolet rays at different times. In some of these series of solutions was added a photosensibilizer in order to obtain a high photodecomposition of formaldehyde. The techniques used for determine the products of the decomposition were the following: 1. In order to measure the residual formaldehyde and glioxal, the Hantzsch and 2,4-dinitrophenylhydrazine methods were used. 2. pH`s measurements of the solutions, before and after exposition. 3. Paper`s chromatography for determine presence of formed acids. 4. Acid-base tritiations for measure total acidification. We observed that when the time of exposition to UV rays was increased, a high photodecomposition of formaldehyde was formed and, besides, a greater quantity of another products. Of the reagents used like photosensibilizers, with the ruthenium reagent, the best results were obtained. (Author).

  3. Mathematical modelling of the decomposition of explosives

    International Nuclear Information System (INIS)

    Smirnov, Lev P

    2010-01-01

    Studies on mathematical modelling of the molecular and supramolecular structures of explosives and the elementary steps and overall processes of their decomposition are analyzed. Investigations on the modelling of combustion and detonation taking into account the decomposition of explosives are also considered. It is shown that solution of problems related to the decomposition kinetics of explosives requires the use of a complex strategy based on the methods and concepts of chemical physics, solid state physics and theoretical chemistry instead of empirical approach.

  4. Dechlorination and decomposition of chloroform induced by glow discharge plasma in an aqueous solution

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Yongjun, E-mail: lyjglow@sohu.com [College of Environmental Science & Engineering, Dalian Maritime University, Dalian 116026 (China); Brook Byers Institute for Sustainable Systems, Georgia Institute of Technology, Atlanta 30332 (United States); Crittenden, John C. [Brook Byers Institute for Sustainable Systems, Georgia Institute of Technology, Atlanta 30332 (United States); Wang, Lei [College of Environmental Science & Engineering, Xiamen University of Technology, Xiamen 361024 (China); Liu, Panliang [Brook Byers Institute for Sustainable Systems, Georgia Institute of Technology, Atlanta 30332 (United States)

    2016-05-05

    Highlights: • Hydrated electrons played an important role for chloroform decomposition. • Oxygen enhanced hydrolyses are critical for the chloroform mineralization. • Energy efficiency of GDP is higher than those of the typical competitive processes. - Abstract: In this study, efficient dechlorination and decomposition of chloroform (CF) induced by glow discharge plasma (GDP) in contact with a sodium sulfate solution was investigated. Intermediate byproducts were determined by ionic chromatography and headspace gas chromatography, respectively. Results showed that CF can be effectively dechlorinated and decomposed under the action of GDP. Both removal and dechlorination of CF increased with increasing pH and with addition of hydroxyl radical scavengers to the solution. Addition of H{sub 2}O{sub 2} to the solution slightly decreased the CF removal. Formic acid, oxalic acid and dichloromethane were determined as the major intermediate byproducts. Final products were carbon dioxide and hydrochloric acid. Hydrated electrons were the most likely active species responsible for initiation of the dechlorination, and hydroxyl radicals may be the ones for the oxidation of the organic intermediate byproducts. Hydrolyses of the chloromethyl radicals contributed much in the mineralization of the organic chlorine. Reaction mechanism was proposed based on the dechlorination kinetics and the distribution of intermediate byproducts.

  5. Dechlorination and decomposition of chloroform induced by glow discharge plasma in an aqueous solution

    International Nuclear Information System (INIS)

    Liu, Yongjun; Crittenden, John C.; Wang, Lei; Liu, Panliang

    2016-01-01

    Highlights: • Hydrated electrons played an important role for chloroform decomposition. • Oxygen enhanced hydrolyses are critical for the chloroform mineralization. • Energy efficiency of GDP is higher than those of the typical competitive processes. - Abstract: In this study, efficient dechlorination and decomposition of chloroform (CF) induced by glow discharge plasma (GDP) in contact with a sodium sulfate solution was investigated. Intermediate byproducts were determined by ionic chromatography and headspace gas chromatography, respectively. Results showed that CF can be effectively dechlorinated and decomposed under the action of GDP. Both removal and dechlorination of CF increased with increasing pH and with addition of hydroxyl radical scavengers to the solution. Addition of H_2O_2 to the solution slightly decreased the CF removal. Formic acid, oxalic acid and dichloromethane were determined as the major intermediate byproducts. Final products were carbon dioxide and hydrochloric acid. Hydrated electrons were the most likely active species responsible for initiation of the dechlorination, and hydroxyl radicals may be the ones for the oxidation of the organic intermediate byproducts. Hydrolyses of the chloromethyl radicals contributed much in the mineralization of the organic chlorine. Reaction mechanism was proposed based on the dechlorination kinetics and the distribution of intermediate byproducts.

  6. Application of Homotopy-Perturbation Method to Nonlinear Ozone Decomposition of the Second Order in Aqueous Solutions Equations

    DEFF Research Database (Denmark)

    Ganji, D.D; Miansari, Mo; B, Ganjavi

    2008-01-01

    In this paper, homotopy-perturbation method (HPM) is introduced to solve nonlinear equations of ozone decomposition in aqueous solutions. HPM deforms a di¢ cult problem into a simple problem which can be easily solved. The effects of some parameters such as temperature to the solutions are consid......In this paper, homotopy-perturbation method (HPM) is introduced to solve nonlinear equations of ozone decomposition in aqueous solutions. HPM deforms a di¢ cult problem into a simple problem which can be easily solved. The effects of some parameters such as temperature to the solutions...

  7. Molecular Twister: A Game for Exploring Solution Chemistry

    Directory of Open Access Journals (Sweden)

    Sawyer R. Masonjones

    2014-02-01

    Full Text Available pH is an essential biological concept with critical importance at various scales, from the molecular level, dealing with blood buffers, homeostasis, and proton gradients, all the way up to the ecosystem level, with soil chemistry and acid rain. However, pH is also a concept that spawns student misconceptions and misunderstanding in terms of what is happening in a solution on the atomic level. The Molecular Twister game, created for a Florida Department of Education funded professional development workshop for Florida high school teachers hosted at the University of Tampa  (Science Math Masters, seeks to model pH in such a way that students can visually and kinesthetically learn the concept in a few minutes. In addition, the basic design of the game pieces allow for teaching extensions to include more complex acid-base reactions. Challenge questions are provided to allow teachers to bring relevancy to the game, using examples of acid-base chemistry pulled from cases in human health and the environment.

  8. Singular solution of the Feller diffusion equation via a spectral decomposition

    Science.gov (United States)

    Gan, Xinjun; Waxman, David

    2015-01-01

    Feller studied a branching process and found that the distribution for this process approximately obeys a diffusion equation [W. Feller, in Proceedings of the Second Berkeley Symposium on Mathematical Statistics and Probability (University of California Press, Berkeley and Los Angeles, 1951), pp. 227-246]. This diffusion equation and its generalizations play an important role in many scientific problems, including, physics, biology, finance, and probability theory. We work under the assumption that the fundamental solution represents a probability density and should account for all of the probability in the problem. Thus, under the circumstances where the random process can be irreversibly absorbed at the boundary, this should lead to the presence of a Dirac delta function in the fundamental solution at the boundary. However, such a feature is not present in the standard approach (Laplace transformation). Here we require that the total integrated probability is conserved. This yields a fundamental solution which, when appropriate, contains a term proportional to a Dirac delta function at the boundary. We determine the fundamental solution directly from the diffusion equation via spectral decomposition. We obtain exact expressions for the eigenfunctions, and when the fundamental solution contains a Dirac delta function at the boundary, every eigenfunction of the forward diffusion operator contains a delta function. We show how these combine to produce a weight of the delta function at the boundary which ensures the total integrated probability is conserved. The solution we present covers cases where parameters are time dependent, thereby greatly extending its applicability.

  9. Periodic oscillatory solution in delayed competitive-cooperative neural networks: A decomposition approach

    International Nuclear Information System (INIS)

    Yuan Kun; Cao Jinde

    2006-01-01

    In this paper, the problems of exponential convergence and the exponential stability of the periodic solution for a general class of non-autonomous competitive-cooperative neural networks are analyzed via the decomposition approach. The idea is to divide the connection weights into inhibitory or excitatory types and thereby to embed a competitive-cooperative delayed neural network into an augmented cooperative delay system through a symmetric transformation. Some simple necessary and sufficient conditions are derived to ensure the componentwise exponential convergence and the exponential stability of the periodic solution of the considered neural networks. These results generalize and improve the previous works, and they are easy to check and apply in practice

  10. Debromination and decomposition of bromoform by contact glow discharge electrolysis in an aqueous solution

    International Nuclear Information System (INIS)

    Wang, Lei; Liu, Panliang; Zhang, Songlin

    2015-01-01

    Bromoform (BF) is a stable and carcinogenic contaminant in water. In this study, efficient debromination and decomposition of BF induced by contact glow discharge electrolysis (CGDE) in a sodium sulfate solution were investigated. Intermediate byproducts were determined by ionic chromatography and gas chromatography, respectively. Experimental results showed that alkaline conditions and additions of organic additives to the solution were favorable for both the removal and the debromination of BF. Oxalic acid, formic acid, dibromomethane and bromate ion were determined as the major intermediate byproducts. Final products were inorganic carbon and bromide ion. Hydrated electrons may be the most likely active species responsible for the initiation of the debromination, and hydroxyl radicals may be the ones for the oxidation of the intermediate byproducts

  11. Kinetics of the decomposition and the estimation of the stability of 10% aqueous and non-aqueous hydrogen peroxide solutions

    Directory of Open Access Journals (Sweden)

    Zun Maria

    2014-12-01

    Full Text Available In this study, the stability of 10% hydrogen peroxide aqueous and non-aqueous solutions with the addition of 6% (w/w of urea was evaluated. The solutions were stored at 20°C, 30°C and 40°C, and the decomposition of hydrogen peroxide proceeded according to first-order kinetics. With the addition of the urea in the solutions, the decomposition rate constant increased and the activation energy decreased. The temperature of storage also affected the decomposition of substance, however, 10% hydrogen peroxide solutions prepared in PEG-300, and stabilized with the addition of 6% (w/w of urea had the best constancy.

  12. Effects of stream water chemistry and tree species on release and methylation of mercury during litter decomposition.

    Science.gov (United States)

    Tsui, Martin Tsz Ki; Finlay, Jacques C; Nater, Edward A

    2008-12-01

    Foliage of terrestrial plants provides an important energy and nutrient source to aquatic ecosystems but also represents a potential source of contaminants, such as mercury (Hg). In this study, we examined how different stream water types and terrestrial tree species influenced the release of Hg from senesced litter to the water and its subsequent methylation during hypoxic litter decomposition. After laboratory incubations of maple leaf litter for 66 days, we observed 10-fold differences in dissolved Hg (DHg, tree species collected at the same site and incubated with the same source water, litter from slower decomposing species (e.g., cedar and pine) yielded higher DHg concentrations than those with more labile carbon (e.g., maple and birch). Percent MeHg, however, was relatively similar among different leaf species (i.e., 61-86%). Our study is the first to demonstrate that stream water chemistry and terrestrial plant litter characteristics are important factors determining Hg release and methylation during hypoxic litter decomposition. These results suggest that certain watershed and aquatic ecosystem properties can determine the levels of MeHg inputs during litterfall events.

  13. Rates of Decomposition of N-Chloramine Disinfectant Compounds in Aqueous Solutions

    International Nuclear Information System (INIS)

    EI-Bellihi, E.E.

    2009-01-01

    The effect of temperature, ph, and salt effects on the decomposition kinetics of hydrolysis of N-chloramine disinfectant compounds [chloramine-B, chloramine-T, N-chlorosuccinimide (NCS), and 1,3-dichloro-5,5-dimethyl hydantoin (DCDMH or Halane)] in aqueous solutions was studied. The results should that the hydrolytic stability of CB and CT is greater than that of NCS and halane. Using CT, which is practical in use for its long contact times, reduced its initial concentration in aqueous solution from 100 ppm to about 20 ppm after a period of 6 months. The study also showed that the rate of hydrolysis of NCS is almost independent on the H + ions concentration. On the other hand, the rates of hydrolysis of CB and CT depend strongly on the hydrogen ion (H + ) concentration where the kinetic of the reaction changes from zero-order to a first order. The thermodynamic parameters of activation were calculated and showed that the entropies of activation have large negative values due to the increase in electrostriction and in a loss of freedom of the solvent water molecules associated with the separation of ions in the transition state. A linear compensation between ΔH and ΔS suggests that in the pure aqueous solutions, the reaction mechanism is almost the same for all the chloramine compounds under investigation

  14. Solution of the linearly anisotropic neutron transport problem in a infinite cylinder combining the decomposition and HTSN methods

    International Nuclear Information System (INIS)

    Goncalves, Glenio A.; Bodmann, Bardo; Bogado, Sergio; Vilhena, Marco T.

    2008-01-01

    Analytical solutions for neutron transport in cylindrical geometry is available for isotropic problems, but to the best of our knowledge for anisotropic problems are not available, yet. In this work, an analytical solution for the neutron transport equation in an infinite cylinder assuming anisotropic scattering is reported. Here we specialize the solution, without loss of generality, for the linearly anisotropic problem using the combined decomposition and HTS N methods. The key feature of this method consists in the application of the decomposition method to the anisotropic problem by virtue of the fact that the inverse of the operator associated to isotropic problem is well know and determined by the HTS N approach. So far, following the idea of the decomposition method, we apply this operator to the integral term, assuming that the angular flux appearing in the integrand is considered to be equal to the HTS N solution interpolated by polynomial considering only even powers. This leads to the first approximation for an anisotropic solution. Proceeding further, we replace this solution for the angular flux in the integral and apply again the inverse operator for the isotropic problem in the integral term and obtain a new approximation for the angular flux. This iterative procedure yields a closed form solution for the angular flux. This methodology can be generalized, in a straightforward manner, for transport problems with any degree of anisotropy. For the sake of illustration, we report numerical simulations for linearly anisotropic transport problems. (author)

  15. Thermal decomposition and spectroscopic investigation of a new aqueous glycolato(-peroxo) Ti(IV) solution-gel precursor

    International Nuclear Information System (INIS)

    De Dobbelaere, Christopher; Mullens, Jules; Hardy, An; Van Bael, Marlies K.

    2011-01-01

    Highlights: → A totally water based glycolato-Ti(IV) precursor is presented and characterized. → The precursors' thermal decomposition profile depends on the ligand to metal ratio. → Titanium is coordinated in an unidentate fashion by the glycolate anion. → Smooth and uniform TiO 2 films can be prepared from the precursor solution. - Abstract: A new aqueous solution-gel precursor based on water soluble glycolato(-peroxo)-Ti(IV) complexes is developed for the preparation of TiO 2 films. With regard to the decomposition of complexes towards oxide formation, it is important to gain insight in the chemical transformations inside the precursor during thermal treatment. Therefore, the thermo-oxidative decomposition pathway of a gel obtained by slow evaporation of the precursor solution is described based on hyphenated thermogravimetric analysis with Fourier transform infrared spectroscopy (TGA-FTIR) and mass spectrometry (TGA-MS). Pure glycolic acid is used as a reference system for this study. By varying the molar glycolic acid to Ti(IV) ratio, the thermal decomposition of the gel can be drastically shortened and the profile's course changed. Gel structure and chemical changes in the gel upon heating are also studied by means of off-line FTIR. A unidentate coordination of the titanium(IV) ion by the carboxylate group of the glycolato ligands and the involvement of the hydroxyl group is confirmed. Phase formation at certain points in the thermal decomposition is studied by X-ray diffraction and Raman spectroscopy. Finally, it is proven that the new precursor is a valuable candidate for the deposition of low carbon containing solution-gel films which can ultimately be converted into smooth and uniform TiO 2 films.

  16. Thermal decomposition and spectroscopic investigation of a new aqueous glycolato(-peroxo) Ti(IV) solution-gel precursor

    Energy Technology Data Exchange (ETDEWEB)

    De Dobbelaere, Christopher, E-mail: christopher.dedobbelaere@uhasselt.be [Hasselt University, Institute for Materials Research, Inorganic and Physical Chemistry, Agoralaan Building D, B-3590 Diepenbeek (Belgium); Mullens, Jules, E-mail: jules.mullens@uhasselt.be [Hasselt University, Institute for Materials Research, Inorganic and Physical Chemistry, Agoralaan Building D, B-3590 Diepenbeek (Belgium); Hardy, An, E-mail: an.hardy@uhasselt.be [Hasselt University, Institute for Materials Research, Inorganic and Physical Chemistry, Agoralaan Building D, B-3590 Diepenbeek (Belgium); IMEC vzw, Division IMOMEC, Agoralaan Building D, B-3590 Diepenbeek (Belgium); Van Bael, Marlies K., E-mail: marlies.vanbael@uhasselt.be [Hasselt University, Institute for Materials Research, Inorganic and Physical Chemistry, Agoralaan Building D, B-3590 Diepenbeek (Belgium); IMEC vzw, Division IMOMEC, Agoralaan Building D, B-3590 Diepenbeek (Belgium)

    2011-06-10

    Highlights: {yields} A totally water based glycolato-Ti(IV) precursor is presented and characterized. {yields} The precursors' thermal decomposition profile depends on the ligand to metal ratio. {yields} Titanium is coordinated in an unidentate fashion by the glycolate anion. {yields} Smooth and uniform TiO{sub 2} films can be prepared from the precursor solution. - Abstract: A new aqueous solution-gel precursor based on water soluble glycolato(-peroxo)-Ti(IV) complexes is developed for the preparation of TiO{sub 2} films. With regard to the decomposition of complexes towards oxide formation, it is important to gain insight in the chemical transformations inside the precursor during thermal treatment. Therefore, the thermo-oxidative decomposition pathway of a gel obtained by slow evaporation of the precursor solution is described based on hyphenated thermogravimetric analysis with Fourier transform infrared spectroscopy (TGA-FTIR) and mass spectrometry (TGA-MS). Pure glycolic acid is used as a reference system for this study. By varying the molar glycolic acid to Ti(IV) ratio, the thermal decomposition of the gel can be drastically shortened and the profile's course changed. Gel structure and chemical changes in the gel upon heating are also studied by means of off-line FTIR. A unidentate coordination of the titanium(IV) ion by the carboxylate group of the glycolato ligands and the involvement of the hydroxyl group is confirmed. Phase formation at certain points in the thermal decomposition is studied by X-ray diffraction and Raman spectroscopy. Finally, it is proven that the new precursor is a valuable candidate for the deposition of low carbon containing solution-gel films which can ultimately be converted into smooth and uniform TiO{sub 2} films.

  17. Decomposition and Mineralization of Dimethyl Phthalate in an Aqueous Solution by Wet Oxidation

    Directory of Open Access Journals (Sweden)

    Dar-Ren Ji

    2015-01-01

    Full Text Available Dimethyl phthalate (DMP was treated via wet oxygen oxidation process (WOP. The decomposition efficiency ηDMP of DMP and mineralization efficiency ηTOC of total organic carbons were measured to evaluate the effects of operation parameters on the performance of WOP. The results revealed that reaction temperature T is the most affecting factor, with a higher T offering higher ηDMP and ηTOC as expected. The ηDMP increases as rotating speed increases from 300 to 500 rpm with stirring enhancement of gas liquid mass transfer. However, it exhibits reduction effect at 700 rpm due to purging of dissolved oxygen by overstirring. Regarding the effects of pressure PT, a higher PT provides more oxygen for the forward reaction with DMP, while overhigh PT increases the absorption of gaseous products such as CO2 and decomposes short-chain hydrocarbon fragments back into the solution thus hindering the forward reaction. For the tested PT of 2.41 to 3.45 MPa, the results indicated that 2.41 MPa is appropriate. A longer reaction time of course gives better performance. At 500 rpm, 483 K, 2.41 MPa, and 180 min, the ηDMP and ηTOC are 93 and 36%, respectively.

  18. Implicit upwind schemes for computational fluid dynamics. Solution by domain decomposition

    International Nuclear Information System (INIS)

    Clerc, S.

    1998-01-01

    In this work, the numerical simulation of fluid dynamics equations is addressed. Implicit upwind schemes of finite volume type are used for this purpose. The first part of the dissertation deals with the improvement of the computational precision in unfavourable situations. A non-conservative treatment of some source terms is studied in order to correct some shortcomings of the usual operator-splitting method. Besides, finite volume schemes based on Godunov's approach are unsuited to compute low Mach number flows. A modification of the up-winding by preconditioning is introduced to correct this defect. The second part deals with the solution of steady-state problems arising from an implicit discretization of the equations. A well-posed linearized boundary value problem is formulated. We prove the convergence of a domain decomposition algorithm of Schwartz type for this problem. This algorithm is implemented either directly, or in a Schur complement framework. Finally, another approach is proposed, which consists in decomposing the non-linear steady state problem. (author)

  19. Approximate Analytical Solutions for Mathematical Model of Tumour Invasion and Metastasis Using Modified Adomian Decomposition and Homotopy Perturbation Methods

    Directory of Open Access Journals (Sweden)

    Norhasimah Mahiddin

    2014-01-01

    Full Text Available The modified decomposition method (MDM and homotopy perturbation method (HPM are applied to obtain the approximate solution of the nonlinear model of tumour invasion and metastasis. The study highlights the significant features of the employed methods and their ability to handle nonlinear partial differential equations. The methods do not need linearization and weak nonlinearity assumptions. Although the main difference between MDM and Adomian decomposition method (ADM is a slight variation in the definition of the initial condition, modification eliminates massive computation work. The approximate analytical solution obtained by MDM logically contains the solution obtained by HPM. It shows that HPM does not involve the Adomian polynomials when dealing with nonlinear problems.

  20. Desorption of 1,3,5-Trichlorobenzene from Multi-Walled Carbon Nanotubes: Impact of Solution Chemistry and Surface Chemistry

    Directory of Open Access Journals (Sweden)

    Sheikh Uddin

    2013-05-01

    Full Text Available The strong affinity of carbon nanotubes (CNTs to environmental contaminants has raised serious concern that CNTs may function as a carrier of environmental pollutants and lead to contamination in places where the environmental pollutants are not expected. However, this concern will not be realized until the contaminants are desorbed from CNTs. It is well recognized that the desorption of environmental pollutants from pre-laden CNTs varies with the environmental conditions, such as the solution pH and ionic strength. However, comprehensive investigation on the influence of solution chemistry on the desorption process has not been carried out, even though numerous investigations have been conducted to investigate the impact of solution chemistry on the adsorption of environmental pollutants on CNTs. The main objective of this study was to determine the influence of solution chemistry (e.g., pH, ionic strength and surface functionalization on the desorption of preloaded 1,3,5-trichlorobenzene (1,3,5-TCB from multi-walled carbon nanotubes (MWNTs. The results suggested that higher pH, ionic strength and natural organic matter in solution generally led to higher desorption of 1,3,5-TCB from MWNTs. However, the extent of change varied at different values of the tested parameters (e.g., pH 7. In addition, the impact of these parameters varied with MWNTs possessing different surface functional groups, suggesting that surface functionalization could considerably alter the environmental behaviors and impact of MWNTs.

  1. Water chemistry at RBMK plants: Problems and solutions

    International Nuclear Information System (INIS)

    Mamet, V.; Yurmanov, V.

    2002-01-01

    After around 15 years of operation RBMK-1000 units undergo a major refit, which includes safety system upgrading, fuel tube replacement, etc. The above upgrading has created problems for water chemistry. In particular, in late 80's in-core insertion time of the portion of control rods was reduced 10-fold thanks to a transfer from water to filming cooling of scram channels. Scram channels are cooled with inner surface water film cooling and nitrogen is injected into heads via special pipelines. Such cooling system modernization ensures fast insertion of absorber rods. The above upgrade intensified nitric acid radiolytic generation in water coolant and pH 25 value shift to acid conditions (up to 4.5). The results of corrosion tests in such conditions proved the necessity to improve water chemistry to ensure corrosion protection of scram/control rod and circuit components, especially those made out of aluminium alloy. Since 1990 the new revision of the RBMK-1000 water chemistry standard specified the new normal operational limit and action levels for possible temporary deviations of pH 25 value. RBMK plant specific measures were implemented at RBMK plants to meet the above requirements of the 1990 revision of the RBMK-1000 water chemistry standard. Clean-up systems of the above circuit were upgraded to ensure intensive absorption of nitric acid from water and pH 25 maintenance in a slightly acid area. (authors)

  2. Water chemistry at RBMK plants: Problems and solutions

    Energy Technology Data Exchange (ETDEWEB)

    Mamet, V.; Yurmanov, V. [VNIIAES (Russian Federation)

    2002-07-01

    After around 15 years of operation RBMK-1000 units undergo a major refit, which includes safety system upgrading, fuel tube replacement, etc. The above upgrading has created problems for water chemistry. In particular, in late 80's in-core insertion time of the portion of control rods was reduced 10-fold thanks to a transfer from water to filming cooling of scram channels. Scram channels are cooled with inner surface water film cooling and nitrogen is injected into heads via special pipelines. Such cooling system modernization ensures fast insertion of absorber rods. The above upgrade intensified nitric acid radiolytic generation in water coolant and pH{sub 25} value shift to acid conditions (up to 4.5). The results of corrosion tests in such conditions proved the necessity to improve water chemistry to ensure corrosion protection of scram/control rod and circuit components, especially those made out of aluminium alloy. Since 1990 the new revision of the RBMK-1000 water chemistry standard specified the new normal operational limit and action levels for possible temporary deviations of pH{sub 25} value. RBMK plant specific measures were implemented at RBMK plants to meet the above requirements of the 1990 revision of the RBMK-1000 water chemistry standard. Clean-up systems of the above circuit were upgraded to ensure intensive absorption of nitric acid from water and pH{sub 25} maintenance in a slightly acid area. (authors)

  3. Root chemistry and soil fauna, but not soil abiotic conditions explain the effects of plant diversity on root decomposition

    NARCIS (Netherlands)

    Chen, Hongmei; Oram, Natalie J.; Barry, Kathryn E.; Mommer, Liesje; Ruijven, van Jasper; Kroon, de Hans; Ebeling, Anne; Eisenhauer, Nico; Fischer, Christine; Gleixner, Gerd; Gessler, Arthur; González Macé, Odette; Hacker, Nina; Hildebrandt, Anke; Lange, Markus; Scherer-lorenzen, Michael; Scheu, Stefan; Oelmann, Yvonne; Wagg, Cameron; Wilcke, Wolfgang; Wirth, Christian; Weigelt, Alexandra

    2017-01-01

    Plant diversity influences many ecosystem functions including root decomposition. However, due to the presence of multiple pathways via which plant diversity may affect root decomposition, our mechanistic understanding of their relationships is limited. In a grassland biodiversity experiment, we

  4. Thermal unimolecular decomposition of bicyclopropyl and deuterated analogues: infrared photoactivation as a diagnostic tool in mechanistic organic chemistry

    International Nuclear Information System (INIS)

    Farneth, W.E.; Thomsen, M.W.

    1982-01-01

    The infrared photochemistry of bicyclopropyl yields product mixtures that are not easily rationalized on the basis of the mechanistic scheme suggested by previous pyrolysis work. As a result of this inconsistency the thermal chemistry of bicyclopropyl and analogues deuterated specifically on one ring has been reexamined. A significant new reaction channel involving the chemically activated decomposition of cyclohexene to ethylene and butadiene has been demonstrated. Evidence for the involvement of chemically activated cyclohexene is as follows: (1) isotopic labeling studies implying a symmetric intermediate, (2) a pressure-dependent ratio of cyclohexene to butadiene and ethylene, (3) good agreement between experimental and calculated values for the unimolecular rate constant for retro-Diels-Alder decay of ''hot'' cyclohexene. A comprehensive mechanism for the unimolecular decay of bicyclopropyl is proposed. The important elements of this mechanism are a single first-formed 1,3 biradical common to all products and the intervention of chemical activation in the generation of several of the secondary products

  5. Pre-Service Chemistry Teachers' Competencies in the Laboratory: A Cross-Grade Study in Solution Preparation

    Science.gov (United States)

    Karatas, F. O.

    2016-01-01

    One of the prerequisites for chemistry teacher candidates is to demonstrate certain laboratory skills. This article aims to determine and discuss the competencies of pre-service chemistry teachers in a chemistry laboratory context working with solution chemistry content. The participants in this study consisted of a group of pre-service chemistry…

  6. Problems and solutions in quantum chemistry and physics

    CERN Document Server

    Johnson, Charles S

    1988-01-01

    Unusually varied problems, with detailed solutions, cover quantum mechanics, wave mechanics, angular momentum, molecular spectroscopy, scattering theory, more. 280 problems, plus 139 supplementary exercises.

  7. A solution of nonlinear equation for the gravity wave spectra from Adomian decomposition method: a first approach

    Directory of Open Access Journals (Sweden)

    Antonio Gledson Goulart

    2013-12-01

    Full Text Available In this paper, the equation for the gravity wave spectra in mean atmosphere is analytically solved without linearization by the Adomian decomposition method. As a consequence, the nonlinear nature of problem is preserved and the errors found in the results are only due to the parameterization. The results, with the parameterization applied in the simulations, indicate that the linear solution of the equation is a good approximation only for heights shorter than ten kilometers, because the linearization the equation leads to a solution that does not correctly describe the kinetic energy spectra.

  8. Specific features of concentrated phase under decomposition of weak solid /sup 3/He-/sup 4/He solution

    Energy Technology Data Exchange (ETDEWEB)

    Mikheev, V A; Majdamov, V A; Kal' noj, S E; Omelaenko, N I

    1988-06-01

    The decomposition of solid /sup 3/He-/sup 4/He solutuions is studied on the samples 0.54% /sup 3/He(V=20.55 cm/sup 3//mole) and 0.60% /sup 4/He (V=24.04-24.93 cm/sup 3//mole) using pulse NMR method. At T=100 mK the decomposition of a weak solution proceeds more than for 30 h, the decomposition rate and temperature being dependent on the sample prehistory. In the concentrated phase of the decomposed weak solution the spin diffraction of /sup 3/He is of the quasi-one-dimensional character with the diffusion coefficient D /similar to/ 10/sup -5/ cm/sup 2//sec typical of liquid /sup 3/He and exceeding that bulk solid /sup 3/He by two orders of magnitude. The longitudinal relaxation time in the quasi-one-dimensional phase (/similar to/ 1 sec) is characteristic of the solid state and coinsides with data for bulk /sup 3/He. The temperature behaviour of magnetization in the quasi-one-dimensional phase is well described by the Curie law.

  9. Dial-A-Decon Solution Chemistry GAP Testing

    Science.gov (United States)

    2012-04-01

    M25, Ml00, M250 , Ml000). The pipette size used was determined by the amount of extraction solution to be delivered. The analytical GC vials used...dilutions were prepared using Gilson Microman positive displacement pipettes (Gilson product numbers MIO, M25, Ml00, M250 , Ml000). The pipette size

  10. Fluctuation theory of solutions applications in chemistry, chemical engineering, and biophysics

    CERN Document Server

    Smith, Paul E

    2013-01-01

    There are essentially two theories of solutions that can be considered exact: the McMillan-Mayer theory and Fluctuation Solution Theory (FST). The first is mostly limited to solutes at low concentrations, while FST has no such issue. It is an exact theory that can be applied to any stable solution regardless of the number of components and their concentrations, and the types of molecules and their sizes. Fluctuation Theory of Solutions: Applications in Chemistry, Chemical Engineering, and Biophysics outlines the general concepts and theoretical basis of FST and provides a range of applications

  11. Mass transfer in fuel cells. [electron microscopy of components, thermal decomposition of Teflon, water transport, and surface tension of KOH solutions

    Science.gov (United States)

    Walker, R. D., Jr.

    1973-01-01

    Results of experiments on electron microscopy of fuel cell components, thermal decomposition of Teflon by thermogravimetry, surface area and pore size distribution measurements, water transport in fuel cells, and surface tension of KOH solutions are described.

  12. Semi-exact solution of elastic non-uniform thickness and density rotating disks by homotopy perturbation and Adomian's decomposition methods. Part I: Elastic solution

    International Nuclear Information System (INIS)

    Hojjati, M.H.; Jafari, S.

    2008-01-01

    In this work, two powerful analytical methods, namely homotopy perturbation method (HPM) and Adomian's decomposition method (ADM), are introduced to obtain distributions of stresses and displacements in rotating annular elastic disks with uniform and variable thicknesses and densities. The results obtained by these methods are then compared with the verified variational iteration method (VIM) solution. He's homotopy perturbation method which does not require a 'small parameter' has been used and a homotopy with an imbedding parameter p element of [0,1] is constructed. The method takes the full advantage of the traditional perturbation methods and the homotopy techniques and yields a very rapid convergence of the solution. Adomian's decomposition method is an iterative method which provides analytical approximate solutions in the form of an infinite power series for nonlinear equations without linearization, perturbation or discretization. Variational iteration method, on the other hand, is based on the incorporation of a general Lagrange multiplier in the construction of correction functional for the equation. This study demonstrates the ability of the methods for the solution of those complicated rotating disk cases with either no or difficult to find fairly exact solutions without the need to use commercial finite element analysis software. The comparison among these methods shows that although the numerical results are almost the same, HPM is much easier, more convenient and efficient than ADM and VIM

  13. Decoupling the direct and indirect effects of climate on plant litter decomposition: Accounting for stress-induced modifications in plant chemistry.

    Science.gov (United States)

    Suseela, Vidya; Tharayil, Nishanth

    2018-04-01

    with temperate ecosystems, the indirect effects of climate on litter decomposition in the tropics are not well understood, which underscores the need to conduct additional studies in tropical biomes. We also emphasize the need to focus on how climatic stress affects the root chemistry as roots contribute significantly to biogeochemical cycling, and on utilizing more robust analytical approaches to capture the molecular composition of tissue matrix that fuel microbial metabolism. © 2017 John Wiley & Sons Ltd.

  14. Influence of drainage status on soil and water chemistry, litter decomposition and soil respiration in central Amazonian forests on sandy soils

    Directory of Open Access Journals (Sweden)

    Antônio Ocimar Manzi

    2011-04-01

    Full Text Available Central Amazonian rainforest landscape supports a mosaic of tall terra firme rainforest and ecotone campinarana, riparian and campina forests, reflecting topography-induced variations in soil, nutrient and drainage conditions. Spatial and temporal variations in litter decomposition, soil and groundwater chemistry and soil CO2 respiration were studied in forests on sandy soils, whereas drought sensitivity of poorly-drained valley soils was investigated in an artificial drainage experiment. Slightly changes in litter decomposition or water chemistry were observed as a consequence of artificial drainage. Riparian plots did experience higher litter decomposition rates than campina forest. In response to a permanent lowering of the groundwater level from 0.1 m to 0.3 m depth in the drainage plot, topsoil carbon and nitrogen contents decreased substantially. Soil CO2 respiration decreased from 3.7±0.6 µmol m-2 s-1 before drainage to 2.5±0.2 and 0.8±0.1 µmol m-2 s-1 eight and 11 months after drainage, respectively. Soil respiration in the control plot remained constant at 3.7±0.6 µmol m-2 s-1. The above suggests that more frequent droughts may affect topsoil carbon and nitrogen content and soil respiration rates in the riparian ecosystem, and may induce a transition to less diverse campinarana or short-statured campina forest that covers areas with strongly-leached sandy soil.

  15. The chemistry of nonaqueous solvents v.4 solution phenomena and aprotic solvents

    CERN Document Server

    Lagowski, J J

    1976-01-01

    The Chemistry of Nonaqueous Solvents, Volume IV: Solution Phenomena and Aprotic Solvents focuses on the chemistry of nonaqueous solvents, with emphasis on solution phenomena and aprotic solvents such as tetramethylurea, inorganic acid chlorides, cyclic carbonates, and sulfolane. This book is organized into seven chapters and begins with an overview of the theory of electrical conductivity and elementary experimental considerations, along with some of the interesting research on nonaqueous solvents. It then turns to a discussion on hydrogen bonding phenomena in nonaqueous systems as probed

  16. Electron enhanced Raman scattering and its applications in solution chemistry

    International Nuclear Information System (INIS)

    Yui, Hiroharu

    2007-01-01

    The present review describes a new enhancement technique for Raman scattering in aqueous solutions. Raman scattering spectroscopy has an inherent ability to distinguish between molecules with great similarity and provides useful information on local physical and chemical environments at their functional groups' level. Since the Raman scattering signals from water molecules are quite weak, Raman spectroscopy has great advantage for detection or discrimination of a trace amount of analytes in aqueous environments. However, Raman scattering cross-sections are inherently small and it generally requires high power excitation and long acquisition times to obtain high-quality Raman spectra. These conditions create disadvantages for the analyses for living cells and real-time monitoring for environmental analyses. Here, I describe a new Raman enhancement technique, namely electron enhanced Raman scattering (EERS)', where artificially generated electrons additionally affect the polarizability of target molecular systems and enhance their inherent Raman cross-section. Principles of the EERS and its applications to aqueous solution are presented. (author)

  17. Formation of metastable and equilibrium phases in the decomposition of the β solid solution in Zr alloys

    International Nuclear Information System (INIS)

    Zakharova, M.I.; Kirov, S.A.; Khundzhua, A.G.

    1978-01-01

    The decomposition of the β solid solution is studied in Zr-Nb alloys with adding Mo, Al, V, Fe by the methods of electron microscopy and X-ray diffraction on single crystals. The intermetallic compounds forming during crystallization of the alloys do not influence the precipitation of the ω- and α-phases during ageing. In the local regions of foils prepared by electropolishing after ageing the formation of the metastable f.c.c. phase and in some cases the inverse transformation of two phase state to the parent phase is observed. (author)

  18. Impacts of operating conditions and solution chemistry on osmotic membrane structure and performance

    KAUST Repository

    Wong, Mavis C.Y.; Martinez, Kristina; Ramon, Guy Z.; Hoek, Eric M.V.

    2012-01-01

    Herein, we report on changes in the performance of a commercial cellulose triacetate (CTA) membrane, imparted by varied operating conditions and solution chemistries. Changes to feed and draw solution flow rate did not significantly alter the CTA membrane's water permeability, salt permeability, or membrane structural parameter when operated with the membrane skin layer facing the draw solution (PRO-mode). However, water and salt permeability increased with increasing feed or draw solution temperature, while the membrane structural parameter decreased with increasing draw solution, possibly due to changes in polymer intermolecular interactions. High ionic strength draw solutions may de-swell the CTA membrane via charge neutralization, which resulted in lower water permeability, higher salt permeability, and lower structural parameter. This observed trend was further exacerbated by the presence of divalent cations which tends to swell the polymer to a greater extent. Finally, the calculated CTA membrane's structural parameter was lower and less sensitive to external factors when operated in PRO-mode, but highly sensitive to the same factors when the skin layer faced the feed solution (FO-mode), presumably due to swelling/de-swelling of the saturated porous substructure by the draw solution. This is a first attempt aimed at systematically evaluating the changes in performance of the CTA membrane due to operating conditions and solution chemistry, shedding new insight into the possible advantages and disadvantages of this material in certain applications. © 2011 Elsevier B.V.

  19. Impacts of operating conditions and solution chemistry on osmotic membrane structure and performance

    KAUST Repository

    Wong, Mavis C.Y.

    2012-02-01

    Herein, we report on changes in the performance of a commercial cellulose triacetate (CTA) membrane, imparted by varied operating conditions and solution chemistries. Changes to feed and draw solution flow rate did not significantly alter the CTA membrane\\'s water permeability, salt permeability, or membrane structural parameter when operated with the membrane skin layer facing the draw solution (PRO-mode). However, water and salt permeability increased with increasing feed or draw solution temperature, while the membrane structural parameter decreased with increasing draw solution, possibly due to changes in polymer intermolecular interactions. High ionic strength draw solutions may de-swell the CTA membrane via charge neutralization, which resulted in lower water permeability, higher salt permeability, and lower structural parameter. This observed trend was further exacerbated by the presence of divalent cations which tends to swell the polymer to a greater extent. Finally, the calculated CTA membrane\\'s structural parameter was lower and less sensitive to external factors when operated in PRO-mode, but highly sensitive to the same factors when the skin layer faced the feed solution (FO-mode), presumably due to swelling/de-swelling of the saturated porous substructure by the draw solution. This is a first attempt aimed at systematically evaluating the changes in performance of the CTA membrane due to operating conditions and solution chemistry, shedding new insight into the possible advantages and disadvantages of this material in certain applications. © 2011 Elsevier B.V.

  20. Training Course of Experimental Chemistry in the Nuclear Fuel Cycle: Solid State and Solution Chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Ju hyeong; Park, Kwangheon; Kim, Tae hoon; Park, Hyoung gyu; Kim, Jisu [Kyunghee University, Yongin (Korea, Republic of); Song, Hyuk jin [Dongguk University, Gyeongju (Korea, Republic of); Lee, Chan ki; Kang, Do kyu; Jeong, Hyeon jun [UNIST, Ulsan (Korea, Republic of)

    2016-10-15

    In this experimental study program in Tohoku University, basic experiments were done by the participants. First one is the hydrogen reduction experiment of the mixture of UO{sub 2} and ZrO{sub 2}. Second one is to observe microscopic structure of solid solution of UO{sub 2} and ZrO{sub 2} using SEM/EDX and XRD system, simulated fuel debris. Third one is milking process of {sup 239}Np from {sup 243}Am by solvent extraction using Tri-n-Octylamine (TOA). Last one is solvent extraction in PUREX by the simulated mixed aqueous solution of U, {sup 85}Sr and {sup 239}Np which is represented minor actinide elements included in the spent nuclear fuel. Uranium is separated from aqueous phase to organic phase during solvent extraction procedure using TBP and dodecane. Also, neptunium can be extracted to organic phase as nitric acid concentration change. The extraction behavior of neptunium is different by oxidation state in aqueous phase. The behavior of neptunium is represented as a combined form of these oxidation states in experiment. Therefore, because the oxidation states of neptunium can be controlled by controlling the concentration of nitric acid, the extractability of neptunium can be controlled.

  1. Application of solution-mineral equilibrium chemistry to solution mining of uranium ores

    International Nuclear Information System (INIS)

    Riese, A.C.; Popp, C.J.

    1979-01-01

    The tests described were undertaken to determine the extent to leach solution-rock interactions with uranium-bearing ore obtained from the Mariano Lake mine. Leach solutions of an acidic (H/sub 2/O/sub 4/-sulfuric acid) and basic (NaHCO/sub 3/-sodium bicarbonate) nature were tested, in addition to a leach solution containing potassium chloride and sulfuric acid (KCl/H/sub 2/SO/sub 4/). The latter solution was chosen in an attempt to equilibrate the aqueous phase with the rock-forming silicate minerals and minimize adverse effects such as clay formation, porosity loss, and lixiviant loss. 29 refs

  2. Application of solution-mineral equilibrium chemistry to solution mining of uranium ores

    International Nuclear Information System (INIS)

    Riese, A.C.; Propp, C.J.

    1980-01-01

    Modern methods of uranium solution mining are typically accompanied by gains and losses of mass through reagent consumption by rock-forming minerals, with subsequent formation of clay minerals, gypsum, carbonates, and iron oxyhydroxides. A systematic approach to alleviate such problems involves the application of leach solutions that are in equilibrium with the host-rock minerals but in disequilibrium with the ore-forming minerals. This partial equilibrium can be approximated by solution-composition adjustments within the systems K 2 O-Al 2 O 3 SiO 2 -H 2 O and Na 2 O 3 -Al 2 O 3 SiO 2 -H 2 O. Uranium ore containing 0.15 percent U 3 O 8 from the Gulf Mineral Resources Corporation's Mariano Lake mine, the Smith Lake district of the Grants mineral belt, was collected for investigation. Presented are a theoretical evaluation of leachate data and an experimental treatment of the ore, which contained mainly K-feldspar, plagioclase feldspar, and quartz (with lesser amounts of micas, clay minerals, and organic carbonaceous material). Small-scale (less than or equal to 1 kg) column-leaching experiments were conducted to model the results of conventional leaching operations and to provide leachate solutions that could be compared with solutions calculated to be in equilibrium with the matrix minerals. Leach solutions employed include: 1) sulfuric acid, 2) sodium bicarbonate, and 3) sulfuric acid with 1.0 molal potassium chloride. The uranium concentrations in the sodium-bicarbonate leach solution and the acid-leach solution were about a gram per liter at the termination of the tests. However, the permeability of the ore in the acid leach was greatly reduced, owing to the formation of clay minerals. Uranium solubility in the leach column stabilized with the potassium-chloride solution was calculated from leachate compositions to be limited by the solubility of carnotite

  3. Physico-chemistry of actinides and other radioelements in solutions and at the interfaces

    International Nuclear Information System (INIS)

    2000-01-01

    This document provides the 61 papers (transparencies used during the presentations and posters) presented at the 1999 PRACTIS days, held February 17-18, 2000 in Villeneuve-les-Avignon. The content comprises 9 conferences dealing with 1)simulation of solvation, coordination and liquid-liquid extraction of rare earth and uranyl cations 2)overview on the complexation selectivity of actinides(III) and rare earths(III) by aromatic poly-nitrogenous ligands 3)detection, characterization and interaction between supramolecular aggregates of extractants: macroscopic consequences on the stability and on the macroscopic behaviour 4)chemistry of technetium in reducing medium: application to researches on radioactive waste management 5) separations by pyro-chemistry (CEA program) 6)overview on the Goethite operation 7)use of time-resolved luminescence spectroscopy to the determination of sorption sites at the interfaces 8)dissolution of uranium dioxide in an argillaceous water: results in oxidizing and reducing conditions 9)treatment and storage of radioactive wastes from weapon-grade plutonium production in Russia and other countries. A large part of the conference was devoted to poster sessions on the following topics: physico-chemistry in homogeneous solutions (22 posters), transfer kinetics of actinides and rare earths between liquid phases and separations (9 posters), physico-chemistry of the solid-solution interface (9 posters), simulation and molecular dynamics (5 posters), uranium dioxide and other oxides (1 poster), long-lived fission products (6 posters). (O.M.)

  4. Physical Properties and Thermal Decomposition of Aqueous Solutions of 2-Amino-2-hydroxymethyl-1, 3-propanediol (AHPD)

    Science.gov (United States)

    Murshid, Ghulam; Shariff, Azmi Mohd; Lau, K. K.; Bustam, Mohammad Azmi; Ahmad, Faizan

    2011-10-01

    Physical properties such as density, viscosity, refractive index, surface tension, and thermal stability of 2-amino-2-hydroxymethyl-1,3-propanediol (AHPD) were experimentally measured. All the experimental measurements were made over a wide range of temperatures from (298.15 to 333.15) K and AHPD concentrations of (1, 7, 13, 19, and 25) mass%. An overall decrease in all the measured physical properties was observed with increasing temperature. The experimental results are presented as a function of temperature and AHPD mass fraction. All the measured physical properties were correlated as a function of temperature. Thermal decomposition of pure and aqueous solutions of AHPD was investigated using a thermo-gravimetric analyzer (TGA) at a heating rate of 10 K · min-1.

  5. Decomposition of Sodium Tetraphenylborate

    International Nuclear Information System (INIS)

    Barnes, M.J.

    1998-01-01

    The chemical decomposition of aqueous alkaline solutions of sodium tetraphenylborate (NaTPB) has been investigated. The focus of the investigation is on the determination of additives and/or variables which influence NaTBP decomposition. This document describes work aimed at providing better understanding into the relationship of copper (II), solution temperature, and solution pH to NaTPB stability

  6. Large-scale fluctuations in the diffusive decomposition of solid solutions

    International Nuclear Information System (INIS)

    Karpov, V.G.; Grimsditch, M.

    1995-01-01

    The concept of an instability in the classic Ostwald ripening theory with respect to compositional fluctuations is suggested. We show that small statistical fluctuations in the precipitate phase lead to gigantic Coulomb-like fluctuations in the solute concentration which in turn affect the ripening. As a result large-scale fluctuations in both the precipitate and solute concentrations appear. These fluctuations are characterized by amplitudes of the order of the average values of the corresponding quantities and by a space scale L∼(na) -1/2 which is considerably greater than both the average nuclear radius and internuclear distance. The Lifshitz-Slyozov theory of ripening is shown to remain locally applicable, over length scales much less than L. The implications of these findings for elastic light scattering in solid solutions that have undergone Ostwald ripening are considered

  7. Large-scale fluctuations in the diffusive decomposition of solid solutions

    Science.gov (United States)

    Karpov, V. G.; Grimsditch, M.

    1995-04-01

    The concept of an instability in the classic Ostwald ripening theory with respect to compositional fluctuations is suggested. We show that small statistical fluctuations in the precipitate phase lead to gigantic Coulomb-like fluctuations in the solute concentration which in turn affect the ripening. As a result large-scale fluctuations in both the precipitate and solute concentrations appear. These fluctuations are characterized by amplitudes of the order of the average values of the corresponding quantities and by a space scale L~(na)-1/2 which is considerably greater than both the average nuclear radius and internuclear distance. The Lifshitz-Slyozov theory of ripening is shown to remain locally applicable, over length scales much less than L. The implications of these findings for elastic light scattering in solid solutions that have undergone Ostwald ripening are considered.

  8. Decomposition of supersaturated solid solutions Mg-Ho and Mg-Gd

    International Nuclear Information System (INIS)

    Sukhanov, V.D.; Dobromyslov, A.V.; Rokhlin, L.L.; Dobatkina, T.V.

    2002-01-01

    Methods of electron microscopy and X-ray diffraction analysis are applied to study ageing magnesium base alloys with holmium and gadolinium. It is shown that the precipitation of supersaturated Mg base solid solutions goes through several subsequent stages and is accompanied by a considerable precipitation hardening effect at the stage of metastable phase precipitation. The influence of aging time and temperature on precipitation kinetics is established [ru

  9. The response of soil solution chemistry in European forests to decreasing acid deposition

    DEFF Research Database (Denmark)

    Johnson, James; Pannatier, Elisabeth Graf; Carnicelli, Stefano

    2018-01-01

    to emissions controls. In this study, we assessed the response of soil solution chemistry in mineral horizons of European forests to these changes. Trends in pH, acid neutralizing capacity (ANC), major ions, total aluminium (Altot) and dissolved organic carbon were determined for the period 1995–2012. Plots...... with at least 10 years of observations from the ICP Forests monitoring network were used. Trends were assessed for the upper mineral soil (10–20 cm, 104 plots) and subsoil (40–80 cm, 162 plots). There was a large decrease in the concentration of sulphate () in soil solution; over a 10‐year period (2000...... over the entire dataset. The response of soil solution acidity was nonuniform. At 10–20 cm, ANC increased in acid‐sensitive soils (base saturation ≤10%) indicating a recovery, but ANC decreased in soils with base saturation >10%. At 40–80 cm, ANC remained unchanged in acid‐sensitive soils (base...

  10. Effect of β-phase decomposition on the superconducting properties of Ti-27 at percent Nb solid solution

    International Nuclear Information System (INIS)

    Hariharan, Y.; Valsakumar, M.C.; Radhakrishnan, T.S.

    1980-01-01

    The effect of β-phase decomposition on the superconducting transition temperature (Tsub(c)) of a Ti-27 at % Nb solid solution has been studied by the resistive technique. The samples were β-quenched from 900deg C and cold rolled to 30%. Annealing at 400deg C for various times upto 15 hours causes Ti-rich phases to precipitate out of the matrix. This decomposition of the β-phase is seen to lead to a progressive enhancement in Tsub(c) from 7.7 K in the β-quenched state to 8.8 K in the sample annealed for 15 hours; further, the width Δ Tsub(c) of the superconducting transition (=90 mK in the β-quenched state) reaches a maximum value (360 mK) for a 10-hour anneal. The conjecture that the enhancement in Tsub(c) occurs as a result of precipitation and the consequent enrichment of the Nb content of the matrix is examined. It is estimated that to account for the large observed enhancement of Tsub(c), the Nb enrichment would have to be of the order of 5-6%; whereas a TEM study has revealed the enrichment to be of the order of 0.2% only. Analysis of the X-ray diffractograms is also not in favour of this hypothesis. Hence alternative mechanisms to account for the Tsub(c) enhancement are currently under investigation. Also discussed is the calculation of Tsub(c) using McMillan's formula for strongly coupled superconductors. (author)

  11. A time-domain decomposition iterative method for the solution of distributed linear quadratic optimal control problems

    Science.gov (United States)

    Heinkenschloss, Matthias

    2005-01-01

    We study a class of time-domain decomposition-based methods for the numerical solution of large-scale linear quadratic optimal control problems. Our methods are based on a multiple shooting reformulation of the linear quadratic optimal control problem as a discrete-time optimal control (DTOC) problem. The optimality conditions for this DTOC problem lead to a linear block tridiagonal system. The diagonal blocks are invertible and are related to the original linear quadratic optimal control problem restricted to smaller time-subintervals. This motivates the application of block Gauss-Seidel (GS)-type methods for the solution of the block tridiagonal systems. Numerical experiments show that the spectral radii of the block GS iteration matrices are larger than one for typical applications, but that the eigenvalues of the iteration matrices decay to zero fast. Hence, while the GS method is not expected to convergence for typical applications, it can be effective as a preconditioner for Krylov-subspace methods. This is confirmed by our numerical tests.A byproduct of this research is the insight that certain instantaneous control techniques can be viewed as the application of one step of the forward block GS method applied to the DTOC optimality system.

  12. Modelling of initial stages of interstitial solid solution decomposition in bcc metals

    Energy Technology Data Exchange (ETDEWEB)

    Blanter, M S

    1982-01-01

    By means of a model of deformation interaction of interstitial atoms added by interlocking of the nearest positions the configuration of cluster of alien atoms intruded into octahedral ..cap alpha..-Fe, V, Nb and Ta interstitially sites is computerized. The cluster structure is determined by elastic properties, of the crystal lattice of the metal-solvent. Clusters in ..cap alpha..-Fe have a plate form in a plane (001) of half lattice period width, in V, Nb and Ta - of monatomic plate in a plane (110). Clusters of interstitials must be sufficiently stable and arise even in solutions low concentration.

  13. A Decomposition Model for HPLC-DAD Data Set and Its Solution by Particle Swarm Optimization

    Directory of Open Access Journals (Sweden)

    Lizhi Cui

    2014-01-01

    Full Text Available This paper proposes a separation method, based on the model of Generalized Reference Curve Measurement and the algorithm of Particle Swarm Optimization (GRCM-PSO, for the High Performance Liquid Chromatography with Diode Array Detection (HPLC-DAD data set. Firstly, initial parameters are generated to construct reference curves for the chromatogram peaks of the compounds based on its physical principle. Then, a General Reference Curve Measurement (GRCM model is designed to transform these parameters to scalar values, which indicate the fitness for all parameters. Thirdly, rough solutions are found by searching individual target for every parameter, and reinitialization only around these rough solutions is executed. Then, the Particle Swarm Optimization (PSO algorithm is adopted to obtain the optimal parameters by minimizing the fitness of these new parameters given by the GRCM model. Finally, spectra for the compounds are estimated based on the optimal parameters and the HPLC-DAD data set. Through simulations and experiments, following conclusions are drawn: (1 the GRCM-PSO method can separate the chromatogram peaks and spectra from the HPLC-DAD data set without knowing the number of the compounds in advance even when severe overlap and white noise exist; (2 the GRCM-PSO method is able to handle the real HPLC-DAD data set.

  14. Transport of titanium dioxide nanoparticles in saturated porous media under various solution chemistry conditions

    International Nuclear Information System (INIS)

    Wang Yu; Gao Bin; Morales, Verónica L.; Tian Yuan; Wu Lei; Gao Jie; Bai Wei; Yang Liuyan

    2012-01-01

    Because of its wide applications, nanosized titanium dioxide may become a potential environmental risk to soil and groundwater system. It is therefore important to improve current understanding of the environmental fate and transport of titanium oxides nanoparticles (TONPs). In this work, the effect of solution chemistry (i.e., pH, ionic strength, and natural organic matter (NOM) concentration) on the deposition and transport of TONPs in saturated porous media was examined in detail. Laboratory columns packed with acid-cleaned quartz sand were used in the experiment as porous media. Transport experiments were conducted with various chemistry combinations, including four ionic strengths, three pH levels, and two NOM concentrations. The results showed that TONP mobility increased with increasing solution pH, but decreased with increasing solution ionic strength. It is also found that the presence of NOM in the system enhanced the mobility of TONPs in the saturated porous media. The Derjaguin–Landau–Verwey–Overbeek (DLVO) theory was used to justify the mobility trends observed in the experimental data. Predictions from the theory agreed excellently with the experimental data.

  15. Chemistry in high temperature aqueous solutions application to the power industry

    International Nuclear Information System (INIS)

    Cohen, P.

    1990-01-01

    The power industry utilizes water (aqueous solutions) for two main functions: as a medium for heat transfer and transport and as a thermodynamic working fluid. These functions are performed in systems fabricated from a wide variety of materials, over a wide range of thermal and hydraulic conditions, and at medium temperatures and densities which determine the significant chemical properties. The major chemical interest is in the concentrated solutions derived from the dilute working fluid at selected sites defined by the physical arrangement and temperature and in their consequential effects on heat transfer and corrosion. Examples of these sites for typical fossil fired and nuclear steam generating equipment are described, as well as the extent and limit of the concentration process. The history of steam power plant water chemistry is discussed from the point of view of the chemical processes involved. The period covered is from the 1920s to the present state of the art, which is a major application of the subject of this symposium--chemistry in high temperature aqueous solution

  16. The chemistry of high temperature phosphate solutions in relation to steam generation

    International Nuclear Information System (INIS)

    Broadbent, D.; Lewis, G.G.; Wetton, E.A.M.

    1978-01-01

    The problems associated with the use of phosphate for chemical treatment of the P.W.R. secondary circuit have prompted renewed interest in the physical chemistry of these solutions. Solubility and phase studies have been carried out at 250, 300 and 350 0 C with solutions having sodium to phosphate ratios from 1.0 to above 3.0. A solid phase of ratio about 2.8 exists in equilibrium with a wide range of saturated solution compositions at each temperature. Invariant points at which three phases are in equilibrium have been identified and at the two higher temperatures a region of liquid-liquid immiscibility occurs. Phase diagrams have been constructed for each temperature from which it is possible to predict the compositional changes occurring during the isothermal evaporation process. The corrosivity of these phosphate solutions to a range of steel alloys is being studied, the results reported in the present work, however, are confined to mild steel in the temperature and phosphate composition ranges of the phase studies. The corrosion of mild steel is generally considerably less than in sodium hydroxide solutions of equivalent concentration. The dependence of corrosion rate on sodium and phosphate concentrations in not readily explicable in terms of the solubility and phase studies and it is thought that the solubility of iron in the phosphate solutions is an important rate-determining factor since several complex compounds containing sodium, phosphorus and ferrous iron are present in the corrosion films. (author)

  17. Matrix equation decomposition and parallel solution of systems resulting from unstructured finite element problems in electromagnetics

    Energy Technology Data Exchange (ETDEWEB)

    Cwik, T. [California Institute of Technology, Pasadena, CA (United States); Katz, D.S. [Cray Research, El Segundo, CA (United States)

    1996-12-31

    Finite element modeling has proven useful for accurately simulating scattered or radiated electromagnetic fields from complex three-dimensional objects whose geometry varies on the scale of a fraction of an electrical wavelength. An unstructured finite element model of realistic objects leads to a large, sparse, system of equations that needs to be solved efficiently with regard to machine memory and execution time. Both factorization and iterative solvers can be used to produce solutions to these systems of equations. Factorization leads to high memory requirements that limit the electrical problem size of three-dimensional objects that can be modeled. An iterative solver can be used to efficiently solve the system without excessive memory use and in a minimal amount of time if the convergence rate is controlled.

  18. Chemistry

    International Nuclear Information System (INIS)

    Ferris, L.M.

    1975-01-01

    The chemical research and development efforts related to the design and ultimate operation of molten-salt breeder reactor systems are concentrated on fuel- and coolant-salt chemistry, including the development of analytical methods for use in these systems. The chemistry of tellurium in fuel salt is being studied to help elucidate the role of this element in the intergranular cracking of Hastelloy N. Studies were continued of the effect of oxygen-containing species on the equilibrium between dissolved UF 3 and dissolved UF 4 , and, in some cases, between the dissolved uranium fluorides and graphite, and the UC 2 . Several aspects of coolant-salt chemistry are under investigation. Hydroxy and oxy compounds that could be formed in molten NaBF 4 are being synthesized and characterized. Studies of the chemistry of chromium (III) compounds in fluoroborate melts were continued as part of a systematic investigation of the corrosion of structural alloys by coolant salt. An in-line voltammetric method for determining U 4+ /U 3+ ratios in fuel salt was tested in a forced-convection loop over a six-month period. (LK)

  19. Effect of wood ash application on soil solution chemistry of tropical acid soils: incubation study.

    Science.gov (United States)

    Nkana, J C Voundi; Demeyer, A; Verloo, M G

    2002-12-01

    The objective of this study was to determine the effect of wood ash application on soil solution composition of three tropical acid soils. Calcium carbonate was used as a reference amendment. Amended soils and control were incubated for 60 days. To assess soluble nutrients, saturation extracts were analysed at 15 days intervals. Wood ash application affects the soil solution chemistry in two ways, as a liming agent and as a supplier of nutrients. As a liming agent, wood ash application induced increases in soil solution pH, Ca, Mg, inorganic C, SO4 and DOC. As a supplier of elements, the increase in the soil solution pH was partly due to ligand exchange between wood ash SO4 and OH- ions. Large increases in concentrations of inorganic C, SO4, Ca and Mg with wood ash relative to lime and especially increases in K reflected the supply of these elements by wood ash. Wood ash application could represent increased availability of nutrients for the plant. However, large concentrations of basic cations, SO4 and NO3 obtained with higher application rates could be a concern because of potential solute transport to surface waters and groundwater. Wood ash must be applied at reasonable rates to avoid any risk for the environment.

  20. Accelerating solutions of one-dimensional unsteady PDEs with GPU-based swept time-space decomposition

    Science.gov (United States)

    Magee, Daniel J.; Niemeyer, Kyle E.

    2018-03-01

    The expedient design of precision components in aerospace and other high-tech industries requires simulations of physical phenomena often described by partial differential equations (PDEs) without exact solutions. Modern design problems require simulations with a level of resolution difficult to achieve in reasonable amounts of time-even in effectively parallelized solvers. Though the scale of the problem relative to available computing power is the greatest impediment to accelerating these applications, significant performance gains can be achieved through careful attention to the details of memory communication and access. The swept time-space decomposition rule reduces communication between sub-domains by exhausting the domain of influence before communicating boundary values. Here we present a GPU implementation of the swept rule, which modifies the algorithm for improved performance on this processing architecture by prioritizing use of private (shared) memory, avoiding interblock communication, and overwriting unnecessary values. It shows significant improvement in the execution time of finite-difference solvers for one-dimensional unsteady PDEs, producing speedups of 2 - 9 × for a range of problem sizes, respectively, compared with simple GPU versions and 7 - 300 × compared with parallel CPU versions. However, for a more sophisticated one-dimensional system of equations discretized with a second-order finite-volume scheme, the swept rule performs 1.2 - 1.9 × worse than a standard implementation for all problem sizes.

  1. Achievement report on research and development in the Sunshine Project in fiscal 1976. Research and development of water decomposition by using a hybrid cycle composed of thermo-chemistry and photo-chemistry; 1976 nendo netsukagaku oyobi hikari kagaku hybrid cycle ni yoru mizu bunkai no kenkyu kahatsu seika hokokusho

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1977-03-01

    This paper describes water decomposition by using a hybrid cycle composed of thermo-chemistry and photo-chemistry. Ferric sulfate and HI are obtained from ferrous sulfate and iodine via photo-chemical reaction. This is an endothermic reaction of 10.8 kcal. Then, the photo-chemically reacted aqueous solution is electrolysed to separate HI, while Fe{sup 3+} (ferric ion) is reduced and converted into Fe{sup 2+} (ferrous ion). Oxygen is generated at this time. Since mixed potential is made from iron oxidation and reduction potential and iodine potential, the electrolytic efficiency is greatly influenced by electrode materials. Ideally, an electrode material that causes only the reduction of Fe{sup 3+}, but not other reactions is preferable. The HI is decomposed into hydrogen and iodine by electrolysis. Research is continuing to acquire hydrogen from HI thermo-chemically. Endothermic reaction heat of 7 to 8 kcal has been obtained in photo-chemical reaction, the heat quantity being close to the theoretical value of 10.8. A result close to the theoretical value may be expected if the electrode material problem is solved. The basic research will be continued for a high possibility of linking the research to a pilot plant in the future. (NEDO)

  2. Solution chemistry of carbonate minerals and its effects on the flotation of hematite with sodium oleate

    Science.gov (United States)

    Li, Dong; Yin, Wan-zhong; Xue, Ji-wei; Yao, Jin; Fu, Ya-feng; Liu, Qi

    2017-07-01

    The effects of carbonate minerals (dolomite and siderite) on the flotation of hematite using sodium oleate as a collector were investigated through flotation tests, supplemented by dissolution measurements, solution chemistry calculations, zeta-potential measurements, Fourier transform infrared (FTIR) spectroscopic studies, and X-ray photoelectron spectroscopy (XPS) analyses. The results of flotation tests show that the presence of siderite or dolomite reduced the recovery of hematite and that the inhibiting effects of dolomite were stronger. Dissolution measurements, solution chemistry calculations, and flotation tests confirmed that both the cations (Ca2+ and Mg2+) and CO3 2- ions dissolved from dolomite depressed hematite flotation, whereas only the CO3 2- ions dissolved from siderite were responsible for hematite depression. The zeta-potential, FTIR spectroscopic, and XPS analyses indicated that Ca2+, Mg2+, and CO3 2- (HCO3 -) could adsorb onto the hematite surface, thereby hindering the adsorption of sodium oleate, which was the main reason for the inhibiting effects of carbonate minerals on hematite flotation.

  3. Studies on the radiation chemistry of biomolecules in aqueous solution with specific objective of minimizing their radiolytic degradation. Coordinated programme for Asia and the Pacific Region on radiation sterilization practices significant to local medical supplies and conditions

    International Nuclear Information System (INIS)

    Narayana Rao, K.

    1979-01-01

    As part of a study of radiolytic degradation of pharmaceuticals during radiosterilization, the basic radiation chemistry of the B-group vitamins, nicotinamide, pyridoxin, riboflavin and thiamine, and the reaction of hydrogen peroxide with these same materials has been investigated. The various aspects studied were - radiolysis under controlled conditions, effects of phase, temperature, pH and nature and concentration of additives. Some of the conclusions are: 1) with oxygen saturated aqueous solutions containing glucose, the radiolytic degradation of the vitamins is reduced: 2) results a similar for N 2 O saturated aqueous solutions; 3) in glucose-containing solutions, the protective effect is considerably modified at higher temperatures; and 4) irradiation of air-saturated aqueous solutions in the frozen state leads to reduced decomposition. It is concluded that in the presence of oxygen, in frozen matrices at low temperature, it appears possible to reduce the radiolytic breakdown of vitamins to low levels

  4. Molecular Structure of Salt Solutions: A New View of the Interface with Implications for Heterogeneous Atmospheric Chemistry

    Czech Academy of Sciences Publication Activity Database

    Jungwirth, Pavel; Tobias, D. J.

    2001-01-01

    Roč. 105, č. 43 (2001), s. 10468-10472 ISSN 1089-5647 R&D Projects: GA MŠk LN00A032 Institutional research plan: CEZ:AV0Z4040901 Keywords : air-solution interface * salt solutions * molecular dynamics Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.379, year: 2001

  5. Chemistry

    International Nuclear Information System (INIS)

    Ferris, L.M.

    1976-01-01

    Research progress is reported in programs on fuel-salt chemistry, properties of compounds in the Li--Te system, Te spectroscopy UF 4 --H equilibria, porous electrode studies of molten salts, fuel salt-coolant salt reactions, thermodynamic properties of transition-metal fluorides, and properties of sodium fluoroborate. Developmental work on analytical methods is summarized including in-line analysis of molten MSBR fuel, analysis of coolant-salts for tritium, analysis of molten LiF--BeF 2 --ThF 4 for Fe and analysis of LiF--BeF--ThF 4 for Te

  6. An abstraction layer for efficient memory management of tabulated chemistry and flamelet solutions

    Science.gov (United States)

    Weise, Steffen; Messig, Danny; Meyer, Bernd; Hasse, Christian

    2013-06-01

    A large number of methods for simulating reactive flows exist, some of them, for example, directly use detailed chemical kinetics or use precomputed and tabulated flame solutions. Both approaches couple the research fields computational fluid dynamics and chemistry tightly together using either an online or offline approach to solve the chemistry domain. The offline approach usually involves a method of generating databases or so-called Lookup-Tables (LUTs). As these LUTs are extended to not only contain material properties but interactions between chemistry and turbulent flow, the number of parameters and thus dimensions increases. Given a reasonable discretisation, file sizes can increase drastically. The main goal of this work is to provide methods that handle large database files efficiently. A Memory Abstraction Layer (MAL) has been developed that handles requested LUT entries efficiently by splitting the database file into several smaller blocks. It keeps the total memory usage at a minimum using thin allocation methods and compression to minimise filesystem operations. The MAL has been evaluated using three different test cases. The first rather generic one is a sequential reading operation on an LUT to evaluate the runtime behaviour as well as the memory consumption of the MAL. The second test case is a simulation of a non-premixed turbulent flame, the so-called HM1 flame, which is a well-known test case in the turbulent combustion community. The third test case is a simulation of a non-premixed laminar flame as described by McEnally in 1996 and Bennett in 2000. Using the previously developed solver 'flameletFoam' in conjunction with the MAL, memory consumption and the performance penalty introduced were studied. The total memory used while running a parallel simulation was reduced significantly while the CPU time overhead associated with the MAL remained low.

  7. Solution chemistry of Mo(III) and Mo(IV): Thermodynamic foundation for modeling localized corrosion

    International Nuclear Information System (INIS)

    Wang Peiming; Wilson, Leslie L.; Wesolowski, David J.; Rosenqvist, Joergen; Anderko, Andrzej

    2010-01-01

    To investigate the behavior of molybdenum dissolution products in systems that approximate localized corrosion environments, solubility of Mo(III) in equilibrium with solid MoO 2 has been determined at 80 deg. C as a function of solution acidity, chloride concentration and partial pressure of hydrogen. The measurements indicate a strong increase in solubility with acidity and chloride concentration and a weak effect of hydrogen partial pressure. The obtained results have been combined with literature data for systems containing Mo(III), Mo(IV), and Mo(VI) in solutions to develop a comprehensive thermodynamic model of aqueous molybdenum chemistry. The model is based on a previously developed framework for simulating the properties of electrolyte systems ranging from infinite dilution to solid saturation or fused salt limit. To reproduce the measurements, the model assumes the presence of a chloride complex of Mo(III) (i.e., MoCl 2+ ) and hydrolyzed species (MoOH 2+ , Mo(OH) 2 + , and Mo(OH) 3 0 ) in addition to the Mo 3+ ion. The model generally reproduces the experimental data within experimental scattering and provides a tool for predicting the phase behavior and speciation in complex, concentrated aqueous solutions. Thus, it provides a foundation for simulating the behavior of molybdenum species in localized corrosion environments.

  8. The application of the fall-vector method in decomposition schemes for the solution of integer linear programming problems

    International Nuclear Information System (INIS)

    Sergienko, I.V.; Golodnikov, A.N.

    1984-01-01

    This article applies the methods of decompositions, which are used to solve continuous linear problems, to integer and partially integer problems. The fall-vector method is used to solve the obtained coordinate problems. An algorithm of the fall-vector is described. The Kornai-Liptak decomposition principle is used to reduce the integer linear programming problem to integer linear programming problems of a smaller dimension and to a discrete coordinate problem with simple constraints

  9. The effects of Α-tocopherol and ascorbic acid glucosides on radiation- and H2O2-induced decomposition of thymine in aqueous solution

    International Nuclear Information System (INIS)

    Brinkevich, S.D.; Lagutin, P.Yu.; Shadyro, O.I.

    2008-01-01

    The effects of ascorbic acid, ascorbic acid glycoside and α-tocopherol monoglycoside on radiation- and H 2 O 2 -induced decomposition of thymine in aqueous solutions were investigated. Of the three compounds studied, ascorbic acid glycoside was found to possess the most marked protecting properties. An explanation of this phenomenon has been given in terms of differences in molecular structures of ascorbic acid and ascorbic acid glycoside, as well as properties of radical adducts formed during their interaction with OH radicals. (authors)

  10. Protective effects of vitamin glycosides on γ-radiation and H2O2-induced decomposition of thymine in aqueous solutions

    International Nuclear Information System (INIS)

    Shadyro, O.; Lagutin, P.; Edimecheva, I.; Brinkevich, S.; Kagiya, Tsutomu

    2008-01-01

    Effects of ascorbic acid (AA), ascorbic acid glycoside (AAG) and α-tocopherol monoglycoside (TMG) on radiation- and H 2 O 2 -induced decomposition of thymine in aqueous solutions were investigated. Of the three compounds studied, AAG was found to possess the most marked protector properties. An explanation of this phenomenon has been given in terms of differences in molecular structures of AA and AAG, as well as properties of radical adducts formed during their interaction with OH radicals. (author)

  11. Massive parallelization of a 3D finite difference electromagnetic forward solution using domain decomposition methods on multiple CUDA enabled GPUs

    Science.gov (United States)

    Schultz, A.

    2010-12-01

    describe our ongoing efforts to achieve massive parallelization on a novel hybrid GPU testbed machine currently configured with 12 Intel Westmere Xeon CPU cores (or 24 parallel computational threads) with 96 GB DDR3 system memory, 4 GPU subsystems which in aggregate contain 960 NVidia Tesla GPU cores with 16 GB dedicated DDR3 GPU memory, and a second interleved bank of 4 GPU subsystems containing in aggregate 1792 NVidia Fermi GPU cores with 12 GB dedicated DDR5 GPU memory. We are applying domain decomposition methods to a modified version of Weiss' (2001) 3D frequency domain full physics EM finite difference code, an open source GPL licensed f90 code available for download from www.OpenEM.org. This will be the core of a new hybrid 3D inversion that parallelizes frequencies across CPUs and individual forward solutions across GPUs. We describe progress made in modifying the code to use direct solvers in GPU cores dedicated to each small subdomain, iteratively improving the solution by matching adjacent subdomain boundary solutions, rather than iterative Krylov space sparse solvers as currently applied to the whole domain.

  12. Photochemical decomposition of catecholamines

    International Nuclear Information System (INIS)

    Mol, N.J. de; Henegouwen, G.M.J.B. van; Gerritsma, K.W.

    1979-01-01

    During photochemical decomposition (lambda=254 nm) adrenaline, isoprenaline and noradrenaline in aqueous solution were converted to the corresponding aminochrome for 65, 56 and 35% respectively. In determining this conversion, photochemical instability of the aminochromes was taken into account. Irradiations were performed in such dilute solutions that the neglect of the inner filter effect is permissible. Furthermore, quantum yields for the decomposition of the aminochromes in aqueous solution are given. (Author)

  13. Effects of feed solution chemistry on low pressure reverse osmosis filtration of cesium and strontium

    Energy Technology Data Exchange (ETDEWEB)

    Ding, Shiyuan, E-mail: dingshiyuan@bnu.edu.cn [State Key Laboratory of Water Environment Simulation, School of Environment, Beijing Normal University, No. 19, Xinjiekouwai Street, Haidian District, Beijing 100875 (China); Yang, Yu, E-mail: yangyu@bnu.edu.cn [State Key Laboratory of Water Environment Simulation, School of Environment, Beijing Normal University, No. 19, Xinjiekouwai Street, Haidian District, Beijing 100875 (China); Huang, Haiou, E-mail: huanghaiou@bnu.edu.cn [State Key Laboratory of Water Environment Simulation, School of Environment, Beijing Normal University, No. 19, Xinjiekouwai Street, Haidian District, Beijing 100875 (China); Liu, Hengchen, E-mail: 799599501@qq.com [State Key Laboratory of Water Environment Simulation, School of Environment, Beijing Normal University, No. 19, Xinjiekouwai Street, Haidian District, Beijing 100875 (China); Hou, Li-an, E-mail: houlian678@hotmail.com [State Key Laboratory of Water Environment Simulation, School of Environment, Beijing Normal University, No. 19, Xinjiekouwai Street, Haidian District, Beijing 100875 (China); Xi’an High-Tech Institute, No. 2, Tongxin Street, Baqiao District, Xi’an 710025 (China)

    2015-08-30

    Highlights: • A low pressure spiral wound RO membrane can reject Cs and Sr efficiently. • The rejection of Cs and Sr is dependent on feed pH and co-existing ions. • Donnan exclusion and electrostatic interaction govern the rejection of Cs and Sr. • The differences of filtration mechanism were influenced by the size of ions. • Sr could strengthen the irreversible membrane fouling resistance with HA. - Abstract: The objective of this study was to identify the removal mechanisms of radionuclides by reverse osmosis (RO) membranes under conditions relevant to full-scale water treatment. For this purpose, the effects of feed solution chemistry on the removal of Cs and Sr by a low pressure RO system was investigated by systematically varying membrane surface charge, ionic composition, and organic matter concentrations. The results showed that the effects of solution chemistry on the filtration of Cs and Sr were related to their hydrated ionic radius, resulting in the predominance of the Donnan’s effect and electrostatic interactions, respectively. Consequently, the rejection of Cs increased more pronouncedly than Sr with the increases of feed concentration. Due to the Donnan’s effect, different anions decreased the rejection of Cs to different extents in accordance to the order of anions’ radii as SO{sub 4}{sup 2−} > Cl{sup −} > NO{sub 3}{sup −} > F{sup −}. The variations in Sr rejection were influenced by the electrostatic interactions between Sr{sup 2+} and the membrane. In addition, humic acid (HA) lowered the rejection of Cs and caused significant membrane flux decline, but did not change the rejection of Sr. Sr also aggravated HA fouling of the membrane.

  14. Influence of solution chemistry on the boron content in inorganic calcite grown in artificial seawater

    Science.gov (United States)

    Uchikawa, Joji; Harper, Dustin T.; Penman, Donald E.; Zachos, James C.; Zeebe, Richard E.

    2017-12-01

    The ratio of boron to calcium (B/Ca) in marine biogenic carbonates has been proposed as a proxy for properties of seawater carbonate chemistry. Applying this proxy to planktic foraminifera residing in the surface seawater largely in equilibrium with the atmosphere may provide a valuable handle on past atmospheric CO2 concentrations. However, precise controls on B/Ca in planktic foraminifera remain enigmatic because it has been shown to depend on multiple physicochemical seawater properties. To help establish a firm inorganic basis for interpreting the B/Ca records, we examined the effect of a suite of chemical parameters ([Ca2+], pH, [DIC], salinity and [PO43-]) on B/Ca in inorganic calcite precipitated in artificial seawater. These parameters were primarily varied individually while keeping all others constant, but we also tested the influence of pH and [DIC] at a constant calcite precipitation rate (R) by concurrent [Ca2+] adjustments. In the simple [Ca2+], pH and [DIC] experiments, both R and B/Ca increased with these parameters. In the pH-[Ca2+] and [DIC]-[Ca2+] experiments at constant R, on the other hand, B/Ca was invariant at different pH and decreased with [DIC], respectively. These patterns agree with the behavior of solution [BTotal/DIC] ratio such that, at a fixed [BTotal], it is independent of pH but decreases with [DIC]. Based on these results, R and [BTotal/DIC] ratio appear to be the primary controls on B/Ca in inorganic calcite, suggesting that both B(OH)4- and B(OH)3 are possibly involved in B incorporation. Moreover, B/Ca modestly increased with salinity and [PO43-]. Inorganic calcite precipitated at higher R and in the presence of oxyanions such as SO42- and PO43- in growth solutions often undergoes surface roughening due to formation of crystallographic defects, vacancies and, occasionally, amorphous/hydrous CaCO3. These non-lattice sites may provide additional space for B, particularly B(OH)3. Consequently, besides the macroscopic influence of

  15. Effect of solution chemistry on the adsorption of perfluorooctane sulfonate onto mineral surfaces.

    Science.gov (United States)

    Tang, Chuyang Y; Shiang Fu, Q; Gao, Dawen; Criddle, Craig S; Leckie, James O

    2010-04-01

    Perfluorooctane sulfonate (PFOS) is an emergent contaminant of substantial environmental concerns, yet very limited information has been available on PFOS adsorption onto mineral surfaces. PFOS adsorption onto goethite and silica was investigated by batch adsorption experiments under various solution compositions. Adsorption onto silica was only marginally affected by pH, ionic strength, and calcium concentration, likely due to the dominance of non-electrostatic interactions. In contrast, PFOS uptake by goethite increased significantly at high [H+] and [Ca2+], which was likely due to enhanced electrostatic attraction between the negatively charged PFOS molecules and positively charged goethite surface. The effect of pH was less significant at high ionic strength, likely due to electrical double layer compression. PFOS uptake was reduced at higher ionic strength for a strongly positively charged goethite surface (pH 3), while it increased for a weakly charged surface (pH 7 and 9), which could be attributed to the competition between PFOS-surface electrostatic attraction and PFOS-PFOS electrostatic repulsion. A conceptual model that captures PFOS-surface and PFOS-PFOS electrostatic interactions as well as non-electrostatic interaction was also formulated to understand the effect of solution chemistry on PFOS adsorption onto goethite and silica surfaces. Copyright (c) 2010 Elsevier Ltd. All rights reserved.

  16. Effects of wood ash on soil solution and chemistry of leaves in a beech stand

    International Nuclear Information System (INIS)

    Tothova, Slavka

    2005-01-01

    The short-term effects of wood ash fertilization on chemistry of soil solution and leaves were investigated in 4-year-old beech stand (Fagus sylvatica L.) on dystric cambisol in Central Spis. Four plots - the control plot and three plots with different ash treatments (different dose, date and method of application) were established. Plate lysimeters were installed under the upper layer of soil in depth 2 cm and 20 cm on the control plot and plot P1 with addition of wood ash 5 t/ha on the whole surface. Soil solution was collected in May - October 2002 every two weeks. Composite samples, which represent a one - month period, were analysed for pH, K, Ca, Mg, and NO 3 - . The leaves were collected 4 or 10 months after the treatment and analysed on Ca, K, Mg, P, S, N and heavy metals Cd, Pb, Cr and Hg. In the ash treatment the content of macronutrient increased (mainly K, Ca). Addition of ash did not increase of the content heavy metal in leaves

  17. Chemistry

    International Nuclear Information System (INIS)

    Ferris, L.M.

    1975-01-01

    Research and development activities dealing with the chemical problems related to design and ultimate operation of molten-salt reactor systems are described. An experimental test stand was constructed to expose metallurgical test specimens to Te 2 vapor at defined temperatures and deposition rates. To better define the chemistry of fluoroborate coolant, several aspects are being investigated. The behavior of hydroxy and oxy compounds in molten NaBF 4 is being investigated to define reactions and compounds that may be involved in corrosion and/or could be involved in methods for trapping tritium. Two corrosion products of Hastelloy N, Na 3 CrF 6 and Na 5 Cr 3 F 14 , were identified from fluoroborate systems. The evaluation of fluoroborate and alternate coolants continued. Research on the behavior of hydrogen and its isotopes is summarized. The solubilities of hydrogen, deuterium, and helium in Li 2 BeF 4 are very low. The sorption of tritium on graphite was found to be significant (a few milligrams of tritium per kilogram of graphite), possibly providing a means of sequestering a portion of the tritium produced. Development of analytical methods continued with emphasis on voltammetric and spectrophotometric techniques for the in-line analysis of corrosion products such as Fe 2+ and Cr 3+ and the determination of the U 3+ /U 4+ ratio in MSBR fuel salt. Similar studies were conducted with the NaBF 4 --NaF coolant salt. Information developed during the previous operation of the CSTF has been assessed and used to formulate plans for evaluation of in-line analytical methods in future CSTF operations. Electroanalytical and spectrophotometric research suggests that an electroactive protonic species is present in molten NaBF 4 --NaF, and that this species rapidly equilibrates with a volatile proton-containing species. Data obtained from the CSTF indicated that tritium was concentrated in the volatile species. (JGB)

  18. Transport of E. coli D21g with runoff water under different solution chemistry conditions and surface slopes

    Science.gov (United States)

    Tracer and indicator microbe runoff experiments were conducted to investigate the influence of solution chemistry on the transport, retention, and release of Escherichia coli D21g. Experiments were conducted in a chamber (2.25 m long, 0.15 m wide, and 0.16 m high) packed with ultrapure quartz sand (...

  19. Soil solution chemistry and element fluxes in three European heathlands and their responses to warming and drought

    DEFF Research Database (Denmark)

    Schmidt, I.K.; Tietema, A.; Williams, D.

    2004-01-01

    Soil water chemistry and element budgets were studied at three northwestern European Calluna vulgaris heathland sites in Denmark (DK), The Netherlands (NL), and Wales (UK). Responses to experimental nighttime warming and early summer drought were followed during a two-year period. Soil solution...

  20. Coupled effects of solution chemistry and hydrodynamics on the mobility and transport of quantum dot nanomaterials in the Vadose Zone

    Science.gov (United States)

    To investigate the coupled effects of solution chemistry and vadose zone processes on the mobility of quantum dot (QD) nanoparticles, laboratory scale transport experiments were performed. The complex coupled effects of ionic strength, size of QD aggregates, surface tension, contact angle, infiltrat...

  1. The response of soil solution chemistry in European forests to decreasing acid deposition.

    Science.gov (United States)

    Johnson, James; Graf Pannatier, Elisabeth; Carnicelli, Stefano; Cecchini, Guia; Clarke, Nicholas; Cools, Nathalie; Hansen, Karin; Meesenburg, Henning; Nieminen, Tiina M; Pihl-Karlsson, Gunilla; Titeux, Hugues; Vanguelova, Elena; Verstraeten, Arne; Vesterdal, Lars; Waldner, Peter; Jonard, Mathieu

    2018-03-31

    Acid deposition arising from sulphur (S) and nitrogen (N) emissions from fossil fuel combustion and agriculture has contributed to the acidification of terrestrial ecosystems in many regions globally. However, in Europe and North America, S deposition has greatly decreased in recent decades due to emissions controls. In this study, we assessed the response of soil solution chemistry in mineral horizons of European forests to these changes. Trends in pH, acid neutralizing capacity (ANC), major ions, total aluminium (Al tot ) and dissolved organic carbon were determined for the period 1995-2012. Plots with at least 10 years of observations from the ICP Forests monitoring network were used. Trends were assessed for the upper mineral soil (10-20 cm, 104 plots) and subsoil (40-80 cm, 162 plots). There was a large decrease in the concentration of sulphate (SO42-) in soil solution; over a 10-year period (2000-2010), SO42- decreased by 52% at 10-20 cm and 40% at 40-80 cm. Nitrate was unchanged at 10-20 cm but decreased at 40-80 cm. The decrease in acid anions was accompanied by a large and significant decrease in the concentration of the nutrient base cations: calcium, magnesium and potassium (Bc = Ca 2+  + Mg 2+  + K + ) and Al tot over the entire dataset. The response of soil solution acidity was nonuniform. At 10-20 cm, ANC increased in acid-sensitive soils (base saturation ≤10%) indicating a recovery, but ANC decreased in soils with base saturation >10%. At 40-80 cm, ANC remained unchanged in acid-sensitive soils (base saturation ≤20%, pHCaCl2 ≤ 4.5) and decreased in better-buffered soils (base saturation >20%, pHCaCl2 > 4.5). In addition, the molar ratio of Bc to Al tot either did not change or decreased. The results suggest a long-time lag between emission abatement and changes in soil solution acidity and underline the importance of long-term monitoring in evaluating ecosystem response to decreases in deposition. © 2018 John Wiley & Sons

  2. Quantitative Determination of Ala-Ala Conformer Ratios in Solution by Decomposition of Raman Optical Activity Spectra

    Czech Academy of Sciences Publication Activity Database

    Jungwirth, Jakub; Šebestík, Jaroslav; Šafařík, Martin; Kapitán, J.; Bouř, Petr

    2017-01-01

    Roč. 121, č. 38 (2017), s. 8956-8964 ISSN 1520-6106 R&D Projects: GA ČR(CZ) GA16-05935S; GA MŠk(CZ) LTC17012 Grant - others:COST(XE) CA15214 Institutional support: RVO:61388963 Keywords : density functional theory * vibrational circular dichroism * ab initio calculation Subject RIV: CF - Physical ; Theoretical Chemistry OBOR OECD: Physical chemistry Impact factor: 3.177, year: 2016

  3. Effects of solution chemistry and aging time on prion protein adsorption and replication of soil-bound prions.

    Directory of Open Access Journals (Sweden)

    Samuel E Saunders

    2011-04-01

    Full Text Available Prion interactions with soil may play an important role in the transmission of chronic wasting disease (CWD and scrapie. Prions are known to bind to a wide range of soil surfaces, but the effects of adsorption solution chemistry and long-term soil binding on prion fate and transmission risk are unknown. We investigated HY TME prion protein (PrP(Sc adsorption to soil minerals in aqueous solutions of phosphate buffered saline (PBS, sodium chloride, calcium chloride, and deionized water using western blotting. The replication efficiency of bound prions following adsorption in these solutions was also evaluated by protein misfolding cyclic amplification (PMCA. Aging studies investigated PrP(Sc desorption and replication efficiency up to one year following adsorption in PBS or DI water. Results indicate that adsorption solution chemistry can affect subsequent prion replication or desorption ability, especially after incubation periods of 30 d or longer. Observed effects were minor over the short-term (7 d or less. Results of long-term aging experiments demonstrate that unbound prions or prions bound to a diverse range of soil surfaces can readily replicate after one year. Our results suggest that while prion-soil interactions can vary with solution chemistry, prions bound to soil could remain a risk for transmitting prion diseases after months in the environment.

  4. A review of the radiation chemistry of iodine compounds in aqueous solution

    International Nuclear Information System (INIS)

    Sellers, R.M.

    1977-06-01

    Large amounts of radioactive iodine are formed in the fission of uranium in nuclear reactors. Some of this may be released to the coolant from the fuel either by diffusion through the canning material, or following the failure of a fuel pin. The iodine, which is released mainly as I 2 and methyl iodide, is transported with the coolant and, in direct cycle water cooled reactors, some is carried over with the steam to the turbines, where contamination may build up in the vicinity of steam leaks. Any assessment of the mechanism of the transport of iodine requires a knowledge of the relative amounts of the various oxidation states present, and must consider not only the thermal behaviour of iodine in water, but also the radiation chemical effects. A review is presented of the radiation chemistry of inorganic iodine compounds and methyl iodide in aqueous solutions. A number of unstable intermediates have been identified including species with iodide in valency states II, IV, VI and VIII. A considerable number of discrepancies exist in the literature data, and requirements for further work are identified. (author)

  5. Effects of Solution Chemistry on Nano-Bubbles Transport in Saturated Porous Media

    Science.gov (United States)

    Hamamoto, S.; Takemura, T.; Suzuki, K.; Nihei, N.; Nishimura, T.

    2017-12-01

    Nano-bubbles (NBs) have a considerable potential for the remediation of soil and groundwater contaminated by organic compounds, especially when used in conjunction with bioremediation technologies. Understanding the transport mechanisms of NBs in soils is essential to optimize NB-based remediation techniques. In this study, one-dimensional column transport experiments using glass beads with 0.1 mm size were conducted, where NBs created by oxygen gas at different pH and ionic strength were injected to the column at the constant flow rate. The NBs concentration in the effluent was quantified using a resonant mass measurement technique. Effects of solution chemistry of the NBs water on NB transport in the porous media were investigated. The results showed that attachment of NBs was enhanced under higher ionic strength and lower pH conditions, caused by the reduced repulsive force between NBs and glass beads. In addition, bubble size distributions in the effluents showed that relatively larger NBs were retained in the column. This trend was more significant at lower pH condition.

  6. Simulating the long-term chemistry of an upland UK catchment: Major solutes and acidification

    Energy Technology Data Exchange (ETDEWEB)

    Tipping, E. [Centre for Ecology and Hydrology (Lancaster), Library Avenue, Bailrigg, Lancaster LA1 4AP (United Kingdom)]. E-mail: et@ceh.ac.uk; Lawlor, A.J. [Centre for Ecology and Hydrology (Lancaster), Library Avenue, Bailrigg, Lancaster LA1 4AP (United Kingdom); Lofts, S. [Centre for Ecology and Hydrology (Lancaster), Library Avenue, Bailrigg, Lancaster LA1 4AP (United Kingdom)

    2006-05-15

    CHUM-AM was used to investigate changes in soil and water chemical variables in four moorland sub-catchments in Cumbria UK, to which non-marine S deposition has declined by 65% since the 1970s. The principal processes represented in the model comprise N and S uptake and release, water movements, the binding of cations by soil organic matter, chemical interactions in solution, and chemical weathering. CHUM-AM reproduced reasonably well the current soil pH and pools of N and S, and changes in streamwater chemistry over the period 1970-2000, notably decreases in the concentrations of alkaline earth cations and sulphate, and increases in pH. The model also predicts streamwater pH-Al relationships in agreement with observations. Predictive calculations suggest that constant atmospheric deposition of N at present rates will lead to N saturation and re-acidification, whereas a 50% reduction in N would stabilise soil and streamwater pH at about the present levels. - CHUM-AM accounts for recovery from acidification due to sulphur deposition, but predicts re-acidification if nitrogen deposition is not reduced.

  7. Estimation of Hydrazine Decomposition on Measuring the High-Temperature pH in Hydrazine/ETA Solutions at 553 K

    International Nuclear Information System (INIS)

    Hwang, Jae Sik; Yeon, Jei Won; Yun, Myung Hee; Song, Kyu Seok; Lee, Sang Ill

    2010-01-01

    Hydrazine is one of the most excellent oxygen scavengers used in the secondary circuit of nuclear power plants. Furthermore, in some pants, the hydrazine is used as a source of hydrogen required to suppress radiolysis of the coolant water in the primary loop. When hydrazine was exposed in the high temperature and high pressure water, it can be decomposed into the various products such as NH 3 , N 2 , H 2 , and NO 3 ions. As the result, the pH of solution containing hydrazine in the condition of the high temperature and high pressure can be changed by those decomposed products. In the present work, we investigated the decomposition behavior of hydrazine in ETA (ethanol amine) solution. In addition, we measured the high temperature pH at 553 K on the various hydrazine/ETA solutions for confirming the applicability of the yttria stabilized zirconia (YSZ)- based pH electrode in secondary circuit of the nuclear power plants

  8. Investigation of decomposition of solid solution of Ni-Cr-Fe 77/16/7 over-saturated in carbon during tempering at various temperatures

    International Nuclear Information System (INIS)

    Duffaut, Francois

    1966-01-01

    In its first part, this research thesis reports the investigation of the structure of the tempered Ni-Cr-Fe 77/16/7 alloy by using optical and electronic microscopy. The second part addresses the relationship between the structural status of the alloy and its electrochemical behaviour. The third part reports the investigation of the Portevin - Le Chatelier phenomenon in relationship with the decomposition of the solid solution. A last part addresses the investigation of a possible microstructure ordering of the Ni-Cr-Fe 77/16/7 alloy

  9. Decomposition studies of no-clean solder flux systems in connection with corrosion reliability of electronics

    DEFF Research Database (Denmark)

    Conseil, Helene; Jellesen, Morten Stendahl; Verdingovas, Vadimas

    2013-01-01

    with specific soldering process and parameters, while most important factors are the flux chemistry and its decomposition characteristics. Active parts of the flux residue can cause increased water absorption due to their hygroscopic nature and in solution they will increase leakage current and corrosion...... the contaminated PCBA parts to varying humidity and measuring the resulting leakage current. Results revealed a significant influence of flux chemistry including the amount of WOAs, while aggressiveness of the residue seems to vary with content and type of WOAs, and their nature of decomposition....

  10. Assessment of a sequential extraction protocol by examining solution chemistry and mineralogical evolution

    Science.gov (United States)

    Maubec, Nicolas; Pauwels, Hélène; Noël, Hervé; Bourrat, Xavier

    2015-04-01

    Knowledge of the behavior of heavy metals, such as copper and zinc in sediments, is a key factor to improve the management of rivers. The mobility of these metals, which may be harmful to the environment, depends directly on their concentration and speciation , which in turn depend on physico-chemical parameters such as mineralogy of the sediment fraction, pH, redox potential, salinity etc ... (Anderson et al., 2000; Sterckeman et al., 2004; Van Oort et al., 2008). Several methods based on chemical extractions are currently applied to assess the behavior of heavy metals in soils and sediments. Among them, sequential extraction procedure is widely used in soil and sediment science and provides details about the origin, biological and physicochemical availability, mobilization and transports of trace metals elements. It is based on the use of a series of extracting reagents to extract selectively heavy metals according to their association within the solid phase (Cornu and Clozel, 2000) including the following different fraction : exchangeable, bound to carbonates, associated to oxides (reducible fraction), linked to organic matter and sulfides (oxidizable fraction) as well as silicate minerals so called residual fraction (Hickey and Kittrick, 1984; Tessier et al., 1979). Consequently sequential extraction method is expected to simulate a lot of potential natural and anthropogenic modifications of environmental conditions (Arey et al., 1999; Brannon and Patrick, 1987; Hickey and Kittrick, 1984; La Force et al., 1999; Tessier et al., 1979). For three decades, a large number of protocols has been proposed, characterized by specific reagents and experimental conditions (concentrations, number of steps, extraction orders and solid/solution ratio) (Das et al., 1995; Gomez Ariza et al., 2000; Quevauviller et al., 1994; Rauret, 1998; Tack and Verloo, 1995), but it appeared that several of them suffer from a lack of selectivity of applied reagents: besides target ones, some

  11. Novel bi-metallic uranyl complexes - Redox chemistry in aqueous solutions

    International Nuclear Information System (INIS)

    Yardeni, A.; Mizrahi, E.; Maimon, I.; Zilbermann, G.; Meyerstein, D.; Zehavi-cohen, A.Z.

    2014-01-01

    The synthesis of organic ligands which can accommodate two uranium atoms at different oxidation states, mixed valency being then achieved by redox chemistry at room temperature is definitely a challenge in coordination chemistry. The following complexes were synthesized and characterized by elemental analysis, NMR, MS, IR and UV-vis

  12. Use of pulse radiolysis for the study of the chemistry of aqueous ozone and ozonide solutions

    DEFF Research Database (Denmark)

    Sehested, Knud; Holcman, Jerzy; Bjergbakke, Erling

    1986-01-01

    The chemistry of aqeous ozone, O3, and ozonide, O3−, is of great interest from a technological, environmental and scientific point of view. The literature about their aqueous chemistry is extensive, the reaction mechanisms are still not well understood. The ozonide anion is a free radical that is...... reactions and provides kinetic data sufficient for computer simulations of aqueous O3/O3− chemistry.......The chemistry of aqeous ozone, O3, and ozonide, O3−, is of great interest from a technological, environmental and scientific point of view. The literature about their aqueous chemistry is extensive, the reaction mechanisms are still not well understood. The ozonide anion is a free radical...

  13. Atmospheric chemistry of CF3C(O)O2 radicals. Kinetics of their reaction with NO2 and kinetics of the thermal decomposition of the product CF3C(O)O2NO2

    DEFF Research Database (Denmark)

    Wallington, T.J.; Sehested, J.; Nielsen, O.J.

    1994-01-01

    A pulse radiolysis technique has been used to measure a rate constant of (6.6 +/- 1.3) x 10(-12) cm3 molecule-1 s-1 for the association reaction between CF3C(O)O2 radicals and NO2 at 295 K and one atmosphere total pressure of SF6 diluent. A FTIR/smog chamber system was used to study the thermal...... decomposition CF3C(O)O2NO2. The rate of decomposition of CF3C(O)O2NO2 was independent of the total pressure of N2 diluent over the range 100-700 Torr and was fit by the expression k-1 = (1.9(-1.5)+7.6) x 10(16) exp[(-14000 +/- 480)/T] s-1. Implications for the atmospheric chemistry of CFC replacements...

  14. Complex chemistry

    International Nuclear Information System (INIS)

    Kim, Bong Gon; Kim, Jae Sang; Kim, Jin Eun; Lee, Boo Yeon

    2006-06-01

    This book introduces complex chemistry with ten chapters, which include development of complex chemistry on history coordination theory and Warner's coordination theory and new development of complex chemistry, nomenclature on complex with conception and define, chemical formula on coordination compound, symbol of stereochemistry, stereo structure and isomerism, electron structure and bond theory on complex, structure of complex like NMR and XAFS, balance and reaction on solution, an organo-metallic chemistry, biology inorganic chemistry, material chemistry of complex, design of complex and calculation chemistry.

  15. Influence of drainage status on soil and water chemistry, litter decomposition and soil respiration in central Amazonian forests on sandy soils

    NARCIS (Netherlands)

    Berton Zanchi, F.; Waterloo, M.J.; Dolman, A.J.; Groenendijk, M.; Kruijt, B.

    2011-01-01

    Central Amazonian rainforest landscape supports a mosaic of tall terra firme rainforest and ecotone campinarana, riparian and campina forests, reflecting topography-induced variations in soil, nutrient and drainage conditions. Spatial and temporal variations in litter decomposition, soil and

  16. Solute-specific patterns and drivers of urban stream chemistry revealed by long-term monitoring in Baltimore, Maryland

    Science.gov (United States)

    Reisinger, A. J.; Woytowitz, E.; Majcher, E.; Rosi, E. J.; Groffman, P.

    2017-12-01

    Urban streams receive a myriad of chemical inputs from the surrounding landscape due to altered lithology (asphalt, concrete), leaky sewage infrastructure, and other human activities (road salt, fertilizer, industrial wastes, wastewater effluent), potentially leading to multiple chemical stressors occurring simultaneously. To evaluate potential drivers of water chemistry change, we used approximately 20 years of weekly water chemistry monitoring data from streams in the Baltimore Ecosystem Study (BES) to quantify trends of annual loads and flow-weighted concentrations for multiple solutes of interest, including nitrate (NO3-), phosphate (PO43-), total nitrogen (TN), total phosphorus (TP), chloride (Cl-), and sulfate (SO42-) and subsequently examined various gray and green infrastructure characteristics at the watershed scale. For example, we quantified annual volume and duration of reported sanitary sewer overflows (SSO) and cumulative storage volume and area of various best management practices (BMPs). Site- and solute-specific trends differed, but across our monitoring network we found evidence for decreasing annual export for multiple solutes. Additionally, we found that changes in gray- and green-infrastructure characteristics were related to changes in water quality at our most downstream (most urban) monitoring site. For example, annual NO3- loads increased with longer cumulative SSO duration, whereas annual PO43- and TP loads decreased with a cumulative BMP area in the watershed. Further, we used same long-term water chemistry data and multivariate analyses to investigate whether urban streams have unique water chemistry fingerprints representing the multiple chemical stressors at a given site, which could provide insight into sources and impacts of water-quality impairment. These analyses and results illustrate the major role gray and green infrastructure play in influencing water quality in urban environments, and illustrate that focusing on a variety of

  17. Management intensity alters decomposition via biological pathways

    Science.gov (United States)

    Wickings, Kyle; Grandy, A. Stuart; Reed, Sasha; Cleveland, Cory

    2011-01-01

    Current conceptual models predict that changes in plant litter chemistry during decomposition are primarily regulated by both initial litter chemistry and the stage-or extent-of mass loss. Far less is known about how variations in decomposer community structure (e.g., resulting from different ecosystem management types) could influence litter chemistry during decomposition. Given the recent agricultural intensification occurring globally and the importance of litter chemistry in regulating soil organic matter storage, our objectives were to determine the potential effects of agricultural management on plant litter chemistry and decomposition rates, and to investigate possible links between ecosystem management, litter chemistry and decomposition, and decomposer community composition and activity. We measured decomposition rates, changes in litter chemistry, extracellular enzyme activity, microarthropod communities, and bacterial versus fungal relative abundance in replicated conventional-till, no-till, and old field agricultural sites for both corn and grass litter. After one growing season, litter decomposition under conventional-till was 20% greater than in old field communities. However, decomposition rates in no-till were not significantly different from those in old field or conventional-till sites. After decomposition, grass residue in both conventional- and no-till systems was enriched in total polysaccharides relative to initial litter, while grass litter decomposed in old fields was enriched in nitrogen-bearing compounds and lipids. These differences corresponded with differences in decomposer communities, which also exhibited strong responses to both litter and management type. Overall, our results indicate that agricultural intensification can increase litter decomposition rates, alter decomposer communities, and influence litter chemistry in ways that could have important and long-term effects on soil organic matter dynamics. We suggest that future

  18. Achievement report on research and development in the Sunshine Project in fiscal 1978. Research and development of water decomposition by using the thermo, photo and electro-chemistry mixed cycle; 1978 nendo netsukagaku, hikari kagaku, denki kagaku konsei cycle ni yoru suibunkai no kenkyu kaihatsu seika hokokusho

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1979-03-01

    This paper describes research achievements in fiscal 1978 on water decomposition by using the thermo, photo and electro-chemistry mixed cycle. Fundamental experiments were carried out in a photo-chemical and electrolytic reaction tank to electrolyse as quickly as possible HI and iron (III) produced by photo-chemical reaction in the iodine-iron (II) system, and separate the products therefrom. The photo-chemical reaction was analyzed by using the spectro-photometry, and the degree of reaction progress was quantified by using the change in absorbance of I{sub 3}{sup -}. Since temperature rise due to sun beam irradiation accelerates reverse reaction, the apparent equilibrium position under the beam irradiation was moved from the product system to the original system as the temperature rises. An expression showing the reaction efficiency was introduced to indicate that beam collection enhances the efficiency. There is no electrolytic electrode material that reduces only iron (III) preferably, and electrolysing the aqueous product solution as it is results in low energy efficiency. In addition, as a result of discussing factors affecting the effect of HI decomposition (to acquire hydrogen) by using a heat diffusion column, it was revealed that maximum separation effect can be derived if the material is fed from the center of the column. Discussions were given also on other factors. (NEDO)

  19. Comparison of Chain Conformation of Poly(vinyl alcohol) in Solutions and Melts from Quantum Chemistry Based Molecular Dynamics Simulations

    Science.gov (United States)

    Jaffe, Richard; Han, Jie; Matsuda, Tsunetoshi; Yoon, Do; Langhoff, Stephen R. (Technical Monitor)

    1997-01-01

    Confirmations of 2,4-dihydroxypentane (DHP), a model molecule for poly(vinyl alcohol), have been studied by quantum chemistry (QC) calculations and molecular dynamics (MD) simulations. QC calculations at the 6-311G MP2 level show the meso tt conformer to be lowest in energy followed by the racemic tg, due to intramolecular hydrogen bond between the hydroxy groups. The Dreiding force field has been modified to reproduce the QC conformer energies for DHP. MD simulations using this force field have been carried out for DHP molecules in the gas phase, melt, and CHCl3 and water solutions. Extensive intramolecular hydrogen bonding is observed for the gas phase and CHCl3 solution, but not for the melt or aqueous solution, Such a condensed phase effect due to intermolecular interactions results in a drastic change in chain conformations, in agreement with experiments.

  20. Quantitative phase analysis using the whole-powder-pattern decomposition method. Pt. 1. Solution from knowledge of chemical compositions

    International Nuclear Information System (INIS)

    Toraya, H.; Tusaka, S.

    1995-01-01

    A new procedure for quantitative phase analysis using the whole-powder-pattern decomposition method is proposed. The procedure consists of two steps. In the first, the whole powder patterns of single-component materials are decomposed separately. The refined parameters of integrated intensity, unit cell and profile shape for respective phases are stored in computer data files. In the second step, the whole powder pattern of a mixture sample is fitted, where the parameters refined in the previous step are used to calculate the profile intensity. The integrated intensity parameters are, however, not varied during the least-squares fitting, while the scale factors for the profile intensities of individual phases are adjusted instead. Weight fractions are obtained by solving simultaneous equations, coefficients of which include the scale factors and the mass-absorption coefficients calculated from chemical formulas of respective phases. The procedure can be applied to all mixture samples, including those containing an amorphous material, if single-component samples with known chemical compositions and their approximate unit-cell parameters are provided. The procedure has been tested by using two-to five-component samples, giving average deviations of 1 to 1.5%. Optimum refinement conditions are discussed in connection with the accuracy of the procedure. (orig.)

  1. Greener "Solutions" for the Organic Chemistry Teaching Lab: Exploring the Advantages of Alternative Reaction Media

    Science.gov (United States)

    McKenzie, Lallie C.; Huffman, Lauren M.; Hutchison, James E.; Rogers, Courtney E.; Goodwin, Thomas E.; Spessard, Gary O.

    2009-01-01

    A major approach for implementing green chemistry is the discovery and development of synthetic strategies that reduce the quantity of solvent needed, eliminate it altogether, or rely on new reaction media. An increasing number of examples have demonstrated that greener reaction solvents or media can enhance performance as well as reduce hazard.…

  2. Reactions of organic free radicals at colloidal silver in aqueous solution. Electron pool effect and water decomposition

    International Nuclear Information System (INIS)

    Henglein, A.

    1979-01-01

    Organic free radicals of high negative redox potential such as α-alcohol radicals were found to transfer electrons to colloidal silver particles stabilized by sodium dodecyl sulfate in aqueous solution. The colloidal particles thus became a pool of stored electrons that could reduce water to form hydrogen or react with suitable acceptors in solution. The organic radicals were produced by irradiation, using suitable scavengers for the primary radicals from the radiolysis of the aqueous solvent. The solutions initially contained silver ions at 1 x 10 -4 - 2 x 10 -3 M. At doses below 10 5 rd, the silver ions were completely reduced to form the colloidal catalyst. In this dose range, the corresponding hydrogen yield amounted to 1 molecule per 100 eV. It increased steeply at higher doses up to 3 molecules per 100 eV. The H 2 yield decreased with increasing dose rate and with increasing pH in alkaline solutions. It was highest at a concentration of sodium dodecyl sulfate of 1 x 10 -3 M, i.e., far below the critical micelle concentration of this surfactant. Changes in the absorption spectrum of the colloid are attributed to changes in the size of the silver particles upon charging up with electrons. The competition of radical-colloid reactions with radical-radical deactivation in the bulk of solution or at the surface of the colloidal particles is also discussed. 11 figures

  3. Achievement report on research and development in the Sunshine Project in fiscal 1977. Research and development of water decomposition using mixture cycles composed by thermo-chemistry, photo-chemistry and electrochemistry; 1977 nendo netsukagaku, hikari kagaku, denki kagaku konsei cycle ni yoru suibunkai no kenkyu kaihatsu seika hokokusho

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1978-03-01

    Discussions are being made on manufacture of hydrogen and oxygen from water decomposition using mixture cycles composed by thermo-chemistry, photo-chemistry and electrochemistry using ferrous sulfate and iodine. Photo-chemical reaction produces Fe(OH)SO{sub 4} and HI, but due to difficulty of isolating Fe(OH)SO{sub 4}, photo-chemical reaction that can obtain the compound as Fe{sub 2}(SO{sub 4}){sub 3} was introduced. A method was introduced that can perform HI isolation simultaneously while performing reaction to reduce Fe{sup 3+} and turn it into Fe{sup 2+} (generating oxygen) by means of electrolysing the liquid after the former reaction. The electrolytic process decomposes HI into hydrogen and iodine (discussions on thermo-chemical decomposition is also continued). Since the photo-chemical reaction can cause reverse reaction, discussions were given on the reaction process in order to suppress the reverse reaction and enhance the conversion efficiency. This paper describes the achievements during fiscal 1977. A quantification method was elucidated on individual iodine components so that it can be used for computerized control (measurement of absorbance of I{sub 3}{sup -}) . An electrolytic tank was discussed that decomposes and isolates photo-chemical reaction products before the reverse reaction occurs. Heat diffusion method was also discussed that isolates hydrogen from HI decomposition products. (NEDO)

  4. Achievement report on research and development in the Sunshine Project in fiscal 1979. Research and development on water decomposition by using mixed cycle of thermo-chemistry, photo-chemistry and electrochemistry; 1979 nendo netsukagaku, hikari kagaku, denki kagaku konsei cycle ni yoru mizu bunkai no kenkyu kaihatsu seika hokokusho

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1980-03-01

    This paper describes achievements in research and development in the Sunshine Project in fiscal 1979 on water decomposition by using mixed cycle of thermo-chemistry, photo-chemistry and electrochemistry. In research on the light irradiation electrolytic process, with an objective of improving the reaction efficiency, discussions were given by raising light intensity on the irradiated surface as high as 13 times that of the sunlight. The subsequent process is electrolysis of products from photo-chemical reaction, and the product concentration should be high enough to have HI decomposition (hydrogen acquisition) proceed with high efficiency. Experiments were carried out at 0.03 to 0.1M as iodine concentrations (product HI concentration at 3%). A photo-chemical reaction rate of 80% was obtained at light intensity as high as 12 times that of the sunlight, and iodine concentration of 0.07 mM. The efficiency was 15%. Raising temperature causes the reaction rate to decrease, but it can be supplemented by raising the light intensity, where high concentration HI content was obtained. Rate controlling process in the reaction was elucidated from activation energies in the reaction process of each element on the iodine concentrations from 3 to 30 mM used in the photo-chemical reaction. Experiments were performed on HI decomposition (hydrogen acquisition) by using a heat diffusion column. Separation performance in a filled type column was worse than that in an empty type column, which requires future discussions. (NEDO)

  5. Radiation chemistry

    Energy Technology Data Exchange (ETDEWEB)

    None

    1973-07-01

    Research progress is reported on radiation chemistry of heavy elements that includes the following topics: radiation chemistry of plutonium in nitric acid solutions (spectrophotometric analysis and gamma radiolysis of Pu(IV) and Pu(VI) in nitric acid solution); EPR studies of intermediates formed in radiolytic reactions with aqueous medium; two-phase radiolysis and its effect on the distribution coefficient of plutonium; and radiation chemistry of nitric acid. (DHM)

  6. Effects of atmospheric deposition nitrogen flux and its composition on soil solution chemistry from a red soil farmland, southeast China.

    Science.gov (United States)

    Cui, Jian; Zhou, Jing; Peng, Ying; Chan, Andrew; Mao, Jingdong

    2015-12-01

    A detailed study on the solution chemistry of red soil in South China is presented. Data are collected from two simulated column-leaching experiments with an improved setup to evaluate the effects of atmospheric N deposition (ADN) composition and ADN flux on agricultural soil acidification using a (15)N tracer technique and an in situ soil solution sampler. The results show that solution pH values decline regardless of the increase of the NH4(+)/NO3(-) ratio in the ADN composition or ADN flux, while exchangeable Al(3+), Ca(2+), Mg(2+), and K(+) concentrations increase at different soil depths (20, 40, and 60 cm). Compared with the control, ADN (60 kg per ha per year N, NH4(+)/NO3(-) ratio of 2 : 1) decreases solution pH values, increases solution concentrations of NO3(-)-N, Al(3+), Ca(2+) and Mg(2+) at the middle and lower soil depths, and promotes their removal. NH4(+)-N was not detected in red soil solutions of all the three soil layers, which might be attributed to effects of nitrification, absorption and fixation in farmland red soil. Some of the NO3(-)-N concentrations at 40-60 cm soil depth exceed the safe drinking level of 10 mg L(-1), especially when the ADN flux is beyond 60 kg ha(-1) N. These features are critical for understanding the ADN agro-ecological effects, and for future assessment of ecological critical loads of ADN in red soil farmlands.

  7. Effects of lime and wood ash on soil-solution chemistry, soil chemistry and nutritional status of a pine stand in northern Germany

    International Nuclear Information System (INIS)

    Ludwig, Bernard; Rumpf, Sabine; Mindrup, Michael; Meiwes, Karl-Josef; Khanna, Partap K.

    2002-01-01

    Lime and wood ash may be useful to improve acidic forest soils. A field experiment was conducted in a pine stand on a sandy podzol at Fuhrberg, Germany, which involved an application of dolomitic lime (3 t/ha) with three replications or wood ash (4.8 t/ha) without replications on the forest floor. During the 2 yr study period, lime affected the soil solution composition only slightly. Ash had a marked effect on solution chemistry of the mineral soil at 10 cm and the pH values dropped temporarily from 3.7 to 3.1. Nineteen months after the treatments, exchangeable calcium in the organic layer and mineral soil increased by 222 (lime addition) or 411 kg/ha (ash addition) and exchangeable magnesium increased by 101 (lime addition) or 39 kg/ha (ash addition). After ash addition, no marked change in heavy metal content was found below 4 cm of the organic layer. In the ash treatment, the potassium concentration of the 1-yr-old pine needles increased from 5.6 to 5.9 g/kg. This study suggests that ash from untreated wood may be recommended for amelioration of forest soils

  8. Solution and surface chemistry of the Se(IV)-Fe(0) reactions: Effect of initial solution pH.

    Science.gov (United States)

    Xia, Xuefen; Ling, Lan; Zhang, Wei-Xian

    2017-02-01

    Aspects of solution and solid-phase reactions between selenite (Se(IV)) and nanoscale zero-valent iron (nZVI) were investigated. Experimental results on the effects of initial solution pH, formation and evolution of nZVI corrosion products, and speciation of selenium in nZVI were presented. In general, the rate of Se(IV) removal decreases with increasing initial pH. The observed rate constants of Se(IV) removal decreased from 0.3530 to 0.0364 min -1 as pH increased from 4.0 to 10.0. Composition and morphology of nZVI corrosion products and selenium species were characterized using scanning electron microscopy (SEM), X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS). Results confirmed that Se(IV) was reduced to Se(0) and Se(-II) by nZVI. Lower solution pH favored further reduction of Se(0) to Se(-II). Amorphous FeOOH, magnetite/maghemite (Fe 3 O 4 /γ-Fe 2 O 3 ) and ferrous hydroxide (Fe(OH) 2 ) were identified as the main corrosion products. Under alkaline conditions, the corrosion products were mainly of Fe(OH) 2 along with small amounts of Fe 3 O 4 , while nZVI in acidic solutions was oxidized to mostly Fe 3 O 4 and amorphous FeOOH. Furthermore, these corrosion products acted as intermediates for electron transfer and reactive/sorptive sites for Se(IV) adsorption and reduction, thus played a crucial role in the removal of aqueous Se(IV). Copyright © 2016. Published by Elsevier Ltd.

  9. New field of actinides solution chemistry; electrochemical study on actinide ion transfer at the interface of two immiscible electrolyte solutions

    Energy Technology Data Exchange (ETDEWEB)

    Kitatsuji, Yoshihiro; Yoshida, Zenko [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment; Kudo, Hiroshi [Tohoku Univ., Graduate School of Science, Sendai, Miyagi (Japan); Kihara, Sorin [Kyoto Inst. of Technolgy, Dept. of Chemistry, Kyoto (Japan)

    2002-04-01

    A novel electrochemical method on the basis of a controlled electrolysis has been developed for the study of the ion transfer at the interface of two immiscible electrolyte solutions (ITIES). The controlled-potential electrolysis for ITIES (CPEITIES) was applied to the transfer of actinide ions, and Gibbs energies for the transfer of UO{sub 2}{sup 2+} and Am{sup 3+} from aqueous solution (w) to nitrobenzene solution (nb) were determined to be 71.7 and 113 kJ mol{sup -1}, respectively. The ion transfer potentials for the facilitated transfer of UO{sub 2{sup +}} and Am{sup 3+} from w to nb in the presence of bis(diphenylphosphoryl)methane were determined, from which the stability constants of UO{sub 2}(BDPPM){sub 3}{sup 2+} and Am(BDPPM){sub 3}{sup 3+} complexes involved in the facilitated ion transfer reaction, were calculated to be 10{sup 23.9} and 10{sup 27.5}, respectively. On the basis of the results of CPEITIES, a feasibility of a new separation method, i.e., an electrolytic ion transfer separation, of actinide ions is evaluated. (author)

  10. Acid in perchloroethylene scrubber solutions used in HTGR fuel preparation processes. Analytical chemistry studies

    International Nuclear Information System (INIS)

    Lee, D.A.

    1979-02-01

    Acids and corrosion products in used perchloroethylene scrubber solutions collected from HTGR fuel preparation processes have been analyzed by several analytical methods to determine the source and possible remedy of the corrosion caused by these solutions. Hydrochloric acid was found to be concentrated on the carbon particles suspended in perchloroethylene. Filtration of carbon from the scrubber solutions removed the acid corrosion source in the process equipment. Corrosion products chemisorbed on the carbon particles were identified. Filtered perchloroethylene from used scrubber solutions contained practically no acid. It is recommended that carbon particles be separated from the scrubber solutions immediately after the scrubbing process to remove the source of acid and that an inhibitor be used to prevent the hydrolysis of perchloroethylene and the formation of acids

  11. High-Performance Solution-Processed Amorphous InGaZnO Thin Film Transistors with a Metal–Organic Decomposition Method

    Directory of Open Access Journals (Sweden)

    Yingtao Xie

    2018-01-01

    Full Text Available A facile solution process was introduced for the preparation of IGZO thin films via a metal–organic decomposition (MOD method. The IGZO ink was synthesized by mixing the solutions of gallium acetylacetonate [Ga(C5H7O23], zinc acetylacetonate hydrate [Zn(C5H7O22·xH2O] dissolved in ethanol, and indium acetylacetonate [In(C5H7O23] dissolved in tetrahydrofuran (THF. The deposited films by spin-coating were annealed at moderate process temperature (≤500°C. The relationship between device performance and postannealing temperature was studied. The result demonstrated that mobility of IGZO TFT increased as the annealing temperature increased. Based on the analysis of O 1s statement, the annealing temperature can influence the number of oxygen vacancy to further affect the carrier centration. In addition, the IGZO TFT devices with various Ga molar ratios were compared to demonstrate the influence of the Ga addition. The result demonstrated that the saturated mobilities (μe decreased and VTH shifted to positive voltage as the Ga molar ratio was increased. It is likely that Ga can offer stronger chemical bonds between metal and oxygen that reduced the concentration of free carriers and thus help reducing VTH. As a result, the optimized performance of IGZO TFT with the mobility of 3.4 cm2V−1s−1 showed the MOD process was a promising approach.

  12. Clean thermal decomposition of tertiary-alkyl metal thiolates to metal sulfides: environmentally-benign, non-polar inks for solution-processed chalcopyrite solar cells

    Science.gov (United States)

    Heo, Jungwoo; Kim, Gi-Hwan; Jeong, Jaeki; Yoon, Yung Jin; Seo, Jung Hwa; Walker, Bright; Kim, Jin Young

    2016-11-01

    We report the preparation of Cu2S, In2S3, CuInS2 and Cu(In,Ga)S2 semiconducting films via the spin coating and annealing of soluble tertiary-alkyl thiolate complexes. The thiolate compounds are readily prepared via the reaction of metal bases and tertiary-alkyl thiols. The thiolate complexes are soluble in common organic solvents and can be solution processed by spin coating to yield thin films. Upon thermal annealing in the range of 200-400 °C, the tertiary-alkyl thiolates decompose cleanly to yield volatile dialkyl sulfides and metal sulfide films which are free of organic residue. Analysis of the reaction byproducts strongly suggests that the decomposition proceeds via an SN1 mechanism. The composition of the films can be controlled by adjusting the amount of each metal thiolate used in the precursor solution yielding bandgaps in the range of 1.2 to 3.3 eV. The films form functioning p-n junctions when deposited in contact with CdS films prepared by the same method. Functioning solar cells are observed when such p-n junctions are prepared on transparent conducting substrates and finished by depositing electrodes with appropriate work functions. This method enables the fabrication of metal chalcogenide films on a large scale via a simple and chemically clear process.

  13. The complex synthesis and solid state chemistry of ceria-lanthana solid solutions prepared via a hexamethylenetetramine precipitation

    International Nuclear Information System (INIS)

    Fleming, P.G.; Holmes, J.D.; Otway, D.J.; Morris, M.A.

    2011-01-01

    Mixed oxide solid solutions are becoming ever more commercially important across a range of applications. However, their synthesis can be problematical. Here, we show that ceria-lanthana solid solutions can be readily prepared via simple precipitation using hexamethylenetetramine. However, the solution chemistry can be complex, which results in the precipitated particles having a complex structure and morphology. Great care must be taken in both the synthesis and characterisation to quantify the complexity of the product. Even very high heat treatments were not able to produce highly homogeneous materials and X-ray diffractions reveals the non-equilibrium form of particles prepared in this way. Unexpected crystal structures are revealed including a new metastable cubic La 2 O 3 phase. - Graphical abstract: The suggested mechanism for the formation of dual fluorite phase particles, where Step 1 corresponds to room temperature aging, Step 2; heating the solution to 90 deg. C, Step 3; cooling of the solution to room temperature, Step 4; calcination to 500 deg. C, Step 5; calcination to 700 deg. C and Step 6; calcination to 1300 deg. C. The terminology of e.g. La 1-x Ce x (OH) 3 is used to indicate the formation of a mixed oxy-hydroxy participate rather than a definitive assignment of stoichiometry. Similarly, La 1-y Ce y O 2 only implies a mixed solid solution. Highlights: → Mol% of prepared Ce-La oxides did not follow that of reactant mol%. → Complex reaction pathway found to be dependent on metal solution concentrations. → At certain concentrations core shell particles were found to form. → A reaction model was produced based on cationic solubility. → Report lanthana solubility higher than previously reported in CeO 2 .

  14. Gamma irradiation of isocitric and citric acid in aqueous solution: Relevance in prebiotic chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Negrón-Mendoza, A., E-mail: negron@nucleares.unam.mx; Ramos-Bernal, S. [Instituto de Ciencias Nucleares, Universidad Nacional Autónoma de México, UNAM. Cd. Universitaria, A. P. 70-543, 04510 México, D. F. México (Mexico)

    2015-07-23

    The radiation chemistry of hydroxy acids like citric and isocitric acids is rather scarce, even though they are crucial compounds in biological systems and for food irradiation. The aim of this work is to study the radiolytic behavior of these acids focused on the interconversion induced by radiation of citric and isocitric acid into other members of the Krebs cycle. The results showed that among the products formed were succinic, malonic, malic and other acids related to metabolic pathways, and these results are correlated with its possible role in chemical evolution processes.

  15. XI International conference Problems of solvation and complex formation in solutions, and VI Conference of young scientists Theoretical and experimental chemistry of liquid-phase systems (Krestovsky readings). Summary of reports

    International Nuclear Information System (INIS)

    2011-01-01

    The collection contains materials of plenary, sectional and poster sessions, presented at the XI International conference Problems of solvation and complex formation in solutions, and VI Conference of young scientists Theoretical and experimental chemistry of liquid-phase systems (Krestovsky readings). Theoretical questions and new experimental methods of chemistry of solutions, structure and dynamics of molecular and ion-molecular systems in solution and at the phase boundary; modern aspects of applied chemistry of solutions are discussed [ru

  16. Recent studies of uranium and plutonium chemistry in alkaline radioactive waste solutions

    International Nuclear Information System (INIS)

    King, William D.; Wilmarth, William R.; Hobbs, David T.; Edwards, Thomas B.

    2008-01-01

    Solubility studies of uranium and plutonium in a caustic, radioactive Savannah River Site tank waste solution revealed the existence of uranium supersaturation in the as-received sample. Comparison of the results to predictions generated from previously published models for solubility in these waste types revealed that the U model poorly predicts solubility while Pu model predictions are quite consistent with experimental observations. Separate studies using simulated Savannah River Site evaporator feed solution revealed that the known formation of sodium aluminosilicate solids in waste evaporators can promote rapid precipitation of uranium from supersaturated solutions

  17. Influence of corrosive solutions on microhardness and chemistry of magnesium oxide /001/ surfaces

    Science.gov (United States)

    Ishigaki, H.; Miyoshi, K.; Buckley, D. H.

    1982-01-01

    X-ray photoelectron spectroscopy analyses and hardness experiments were conducted on cleaved magnesium oxide /001/ surfaces. The magnesium oxide bulk crystals were cleaved to specimen size along the /001/ surface, and indentations were made on the cleaved surface in corrosive solutions containing HCl, NaOH, or HNO3 and in water without exposing the specimen to any other environment. The results indicated that chloride (such as MgCl2) and sodium films are formed on the magnesium oxide surface as a result of interactions between an HCl-containing solution and a cleaved magnesium oxide surface. The chloride films soften the magnesium oxide surface. In this case microhardness is strongly influenced by the pH value of the solution. The lower the pH, the lower the microhardness. Sodium films, which are formed on the magnesium oxide surface exposed to an NaOH containing solution, do not soften the magnesium oxide surface.

  18. Radiation chemistry connection with the positronium formation in aqueous solution of triton X-100

    International Nuclear Information System (INIS)

    Das, S.K.; Ganguly, B.N.

    1996-01-01

    Positronium formation bears its connection to radiation chemical phenomenon. This has been demonstrated here to probe the micelle formation and further structural changes in Triton X-100 surfactant solution. (author). 6 refs., 3 figs

  19. Ozone decomposition

    Directory of Open Access Journals (Sweden)

    Batakliev Todor

    2014-06-01

    Full Text Available Catalytic ozone decomposition is of great significance because ozone is a toxic substance commonly found or generated in human environments (aircraft cabins, offices with photocopiers, laser printers, sterilizers. Considerable work has been done on ozone decomposition reported in the literature. This review provides a comprehensive summary of the literature, concentrating on analysis of the physico-chemical properties, synthesis and catalytic decomposition of ozone. This is supplemented by a review on kinetics and catalyst characterization which ties together the previously reported results. Noble metals and oxides of transition metals have been found to be the most active substances for ozone decomposition. The high price of precious metals stimulated the use of metal oxide catalysts and particularly the catalysts based on manganese oxide. It has been determined that the kinetics of ozone decomposition is of first order importance. A mechanism of the reaction of catalytic ozone decomposition is discussed, based on detailed spectroscopic investigations of the catalytic surface, showing the existence of peroxide and superoxide surface intermediates

  20. Uranium chemistry in stack solutions and leachates of phosphogypsum disposed at a coastal area in Cyprus.

    Science.gov (United States)

    Lysandrou, M; Pashalidis, I

    2008-02-01

    The effect of the matrix composition (main constituents) on the concentration and chemical behavior of uranium in phosphogypsum stack solutions and leachates has been investigated. Solid and aqueous samples were taken from three different sub-areas of a phosphogypsum stack at a coastal area in Vasilikos (Cyprus). The sub-areas are characterized whether by their acidity (e.g. "aged" and "non-aged" phosphogypsum) or by their salt content, originating from pulping water during wet stacking or (after deposition) from the adjacent sea. Measurements in stack solutions and leachates showed that phosphogypsum characteristics affect both, the concentration and the chemical behavior of uranium in solution. Uranium concentration in solutions of increased salinity is up to three orders of magnitude higher than in solutions of low salinity and this is attributed to the effect of ionic strength on the solubility of phosphogypsum. Modelling showed that uranium in stack solutions is predominantly present in the form of uranium(VI) phosphate complexes (e.g. UO(2)(H(2)PO(4))(2), UO(2)HPO(4)), whereas in leachates uranium(VI) fluoro complexes (e.g. UO(2)F(2), UO(2)F(3)(-)) are predominant in solution. The latter indicates that elution of uranium from phosphogypsum takes places most probably in the form of fluoro complexes. Both, effective elution by saline water and direct migration of uranium to the sea, where it forms very stable uranium(VI) carbonato complexes, indicate that the adjacent sea will be the final receptor of uranium released from Vasilikos phosphogypsum.

  1. Effects of solution chemistry and atmosphere on leaching of alkali borosilicate glass

    International Nuclear Information System (INIS)

    Hermansson, H.P.; Christensen, H.; Clark, D.E.; Werme, L.

    1983-01-01

    The leaching behavior of two alkali-borosilicate glasses containing 9 wt % simulated fission products and 1.6 wt % uranium oxide has been studied. Samples were exposed to one of eight types of leachants including doubly distilled water, simulated ground silicate water, a brine solution, and solutions containing various concentrations of iron, aluminum or sodium maintained at either 25 0 C, 40 0 C or 90 0 C for up to 182 days. The most aggressive leachants were the solutions containing sodium (excluding brine) and simulated ground silicate water. These solutions increased the extent of leaching by a factor of 2 to 3 over that for distilled water for one of the glasses. A partially protective surface film rich in magnesium, potassium, and chlorine was formed on the glasses exposed to the brine solution. In order to evaluate the effects of atmosphere on leaching, samples were also immersed in doubly distilled water over which the relative concentrations of oxygen, nitrogen and carbon dioxide were varied. Increasing the carbon dioxide concentration from 0 to 50% resulted in a factor of 3 increase in the leaching rate

  2. Pore solution chemistry of simulated low-level liquid waste incorporated in cement grouts

    International Nuclear Information System (INIS)

    Kruger, A.A.

    1995-12-01

    Expressed pore solutions from simulated low level liquid waste cement grouts cured at room temperature, 50 degree C and 90 degree C for various duration were analyzed by standard chemical methods and ion chromatography. The solid portions of the grouts were formulated with portland cement, fly ash, slag, and attapulgite clay in the ratios of 3:3:3:1. Two different solutions simulating off-gas condensates expected from vitrification of Hanford low level tank wastes were made. One is highly alkaline and contains the species Na + , P0 4 3- , N0 2 - , NO 3 - and OH - . The other is carbonated and contains the species, Na + , PO 4 3- , NO 2 - , NO 3 - , and CO 3 2- . In both cases phosphate rapidly disappeared from the pore solution, leaving behind sodium in the form of hydroxide. The carbonates were also removed from the pore solution to form calcium carbonate and possibly calcium monocarboaluminate. These reactions resulted in the increase of hydroxide ion concentration in the early period. Subsequently there was a significant reduction OH - and Na + ion concentrations. In contrast high concentration of N0 2 - and N0 3 - were retained in the pore solution indefinitely

  3. Beyond temperature: Clumped isotope signatures in dissolved inorganic carbon species and the influence of solution chemistry on carbonate mineral composition

    Science.gov (United States)

    Tripati, Aradhna K.; Hill, Pamela S.; Eagle, Robert A.; Mosenfelder, Jed L.; Tang, Jianwu; Schauble, Edwin A.; Eiler, John M.; Zeebe, Richard E.; Uchikawa, Joji; Coplen, Tyler B.; Ries, Justin B.; Henry, Drew

    2015-01-01

    “Clumped-isotope” thermometry is an emerging tool to probe the temperature history of surface and subsurface environments based on measurements of the proportion of 13C and 18O isotopes bound to each other within carbonate minerals in 13C18O16O22- groups (heavy isotope “clumps”). Although most clumped isotope geothermometry implicitly presumes carbonate crystals have attained lattice equilibrium (i.e., thermodynamic equilibrium for a mineral, which is independent of solution chemistry), several factors other than temperature, including dissolved inorganic carbon (DIC) speciation may influence mineral isotopic signatures. Therefore we used a combination of approaches to understand the potential influence of different variables on the clumped isotope (and oxygen isotope) composition of minerals.We conducted witherite precipitation experiments at a single temperature and at varied pH to empirically determine 13C-18O bond ordering (Δ47) and δ18O of CO32- and HCO3- molecules at a 25 °C equilibrium. Ab initio cluster models based on density functional theory were used to predict equilibrium 13C-18O bond abundances and δ18O of different DIC species and minerals as a function of temperature. Experiments and theory indicate Δ47 and δ18O compositions of CO32- and HCO3- ions are significantly different from each other. Experiments constrain the Δ47-δ18O slope for a pH effect (0.011 ± 0.001; 12 ⩾ pH ⩾ 7). Rapidly-growing temperate corals exhibit disequilibrium mineral isotopic signatures with a Δ47-δ18O slope of 0.011 ± 0.003, consistent with a pH effect.Our theoretical calculations for carbonate minerals indicate equilibrium lattice calcite values for Δ47 and δ18O are intermediate between HCO3− and CO32−. We analyzed synthetic calcites grown at temperatures ranging from 0.5 to 50 °C with and without the enzyme carbonic anhydrase present. This enzyme catalyzes oxygen isotopic exchange between DIC species and is present in many

  4. Beyond temperature: Clumped isotope signatures in dissolved inorganic carbon species and the influence of solution chemistry on carbonate mineral composition

    Science.gov (United States)

    Tripati, Aradhna K.; Hill, Pamela S.; Eagle, Robert A.; Mosenfelder, Jed L.; Tang, Jianwu; Schauble, Edwin A.; Eiler, John M.; Zeebe, Richard E.; Uchikawa, Joji; Coplen, Tyler B.; Ries, Justin B.; Henry, Drew

    2015-10-01

    ;Clumped-isotope; thermometry is an emerging tool to probe the temperature history of surface and subsurface environments based on measurements of the proportion of 13C and 18O isotopes bound to each other within carbonate minerals in 13C18O16O22- groups (heavy isotope ;clumps;). Although most clumped isotope geothermometry implicitly presumes carbonate crystals have attained lattice equilibrium (i.e., thermodynamic equilibrium for a mineral, which is independent of solution chemistry), several factors other than temperature, including dissolved inorganic carbon (DIC) speciation may influence mineral isotopic signatures. Therefore we used a combination of approaches to understand the potential influence of different variables on the clumped isotope (and oxygen isotope) composition of minerals. We conducted witherite precipitation experiments at a single temperature and at varied pH to empirically determine 13C-18O bond ordering (Δ47) and δ18O of CO32- and HCO3- molecules at a 25 °C equilibrium. Ab initio cluster models based on density functional theory were used to predict equilibrium 13C-18O bond abundances and δ18O of different DIC species and minerals as a function of temperature. Experiments and theory indicate Δ47 and δ18O compositions of CO32- and HCO3- ions are significantly different from each other. Experiments constrain the Δ47-δ18O slope for a pH effect (0.011 ± 0.001; 12 ⩾ pH ⩾ 7). Rapidly-growing temperate corals exhibit disequilibrium mineral isotopic signatures with a Δ47-δ18O slope of 0.011 ± 0.003, consistent with a pH effect. Our theoretical calculations for carbonate minerals indicate equilibrium lattice calcite values for Δ47 and δ18O are intermediate between HCO3- and CO32-. We analyzed synthetic calcites grown at temperatures ranging from 0.5 to 50 °C with and without the enzyme carbonic anhydrase present. This enzyme catalyzes oxygen isotopic exchange between DIC species and is present in many natural systems. The two

  5. The impact of solution chemistry of electrolyte on the sorption of pentachlorophenol and phenanthrene by natural hematite nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Zeng, Fanfeng; He, Yan, E-mail: yhe2006@zju.edu.cn; Lian, Zhenghua; Xu, Jianming, E-mail: jmxu@zju.edu.cn

    2014-01-01

    Hematite nanoparticles (NPs) were studied as a sorbent for hydrophobic organic contaminants (OCs) under natural ambient conditions through specially designed contrasting solution chemistry of electrolyte. Ionizable pentachlorophenol (PCP) and non-ionizable phenanthrene (PHE) were selected as representative OCs. The sorption capacities of PCP and PHE were pH-dependent, and a larger amount of PCP was sorbed at pH values below its pK{sub a} (4.75). However, the PHE sorption capacity was higher at relatively high or low pHs (e.g. below 4.0 and above 10.0), possibly due to the larger available surface area of the hematite NPs, caused by the higher values of net charges and charge density. Changes in pH might thus affect the sorption of OCs by hematite NPs, through modification of the surface characteristics of the sorbent and the electronic properties of the sorbate molecules. The influence of different ionic strengths indicated that the amounts of PCP and PHE sorbed by hematite NPs decreased as a concentration function of different types of ions (e.g. Na{sup +}, K{sup +}, Mg{sup 2 +} and Ca{sup 2 +}), with the underlying mechanism possibly being due to four interactions i.e. hydrogen-bonding, competitive sorption by ions in the ambient solution, screening effects and aggregation effects. The results confirmed that the surface chemistry of hematite NPs, the chemical properties of PCP and PHE, and solution chemistry (e.g. pH and ionic strength) of the electrolyte all played an important role in PCP and PHE sorption by hematite NPs. By comparison of both sorption capacity and ecologic advantages, our results suggested that natural hematite NPs would be more competitive and efficient for PCP and PHE sorption than engineered NPs. This finding increases our knowledge regarding the environmental function of natural NPs (such as hematite NPs) for OC remediation through manipulating their interfacial behavior. - Highlights: •Hematite NPs was tested for PCP/PHE sorption under

  6. The radiation chemistry of aqueous solutions of sodium 9,10-anthraquinone-2-sulfonate

    International Nuclear Information System (INIS)

    Burchill, C.E.; Smith, D.M.; Charlton, J.L.

    1976-01-01

    The 60 Co γ-radiolysis of aqueous solutions of sodium 9,10-anthraquinone-2-sulfonate has been studied in acidic, unbuffered, and alkaline conditions and with addition of N 2 O and 2-propanol. Mechanisms are proposed to account for the yields of H 2 O 2 and hydroxylated anthraquinone sulfonates. In neutral solution, in the absence of O 2 , the OH and e - adducts undergo preferential cross termination. Reduction of the OH adduct leads to dehydration and regeneration of the quinone. (author)

  7. Solution of problem of determining spin properties of molecules in unitary formalism of quantum chemistry

    International Nuclear Information System (INIS)

    Klimko, G.T.; Luzanov, A.V.

    1988-01-01

    An analysis has been made of the problem of calculating one- and two-particle spin densities, which are needed in calculations of spin-orbit and spin-spin coupling. The proposed solution is oriented toward the application of computational algorithms using unitary group representations; the solution consists of explicit expressions for the matrix elements of spin density operators in terms of the means of products of spin-free generators. This has eliminated a serious problem encountered previously in determining spin characteristics of molecules within the framework of unitary formalism

  8. Decomposition techniques

    Science.gov (United States)

    Chao, T.T.; Sanzolone, R.F.

    1992-01-01

    Sample decomposition is a fundamental and integral step in the procedure of geochemical analysis. It is often the limiting factor to sample throughput, especially with the recent application of the fast and modern multi-element measurement instrumentation. The complexity of geological materials makes it necessary to choose the sample decomposition technique that is compatible with the specific objective of the analysis. When selecting a decomposition technique, consideration should be given to the chemical and mineralogical characteristics of the sample, elements to be determined, precision and accuracy requirements, sample throughput, technical capability of personnel, and time constraints. This paper addresses these concerns and discusses the attributes and limitations of many techniques of sample decomposition along with examples of their application to geochemical analysis. The chemical properties of reagents as to their function as decomposition agents are also reviewed. The section on acid dissolution techniques addresses the various inorganic acids that are used individually or in combination in both open and closed systems. Fluxes used in sample fusion are discussed. The promising microwave-oven technology and the emerging field of automation are also examined. A section on applications highlights the use of decomposition techniques for the determination of Au, platinum group elements (PGEs), Hg, U, hydride-forming elements, rare earth elements (REEs), and multi-elements in geological materials. Partial dissolution techniques used for geochemical exploration which have been treated in detail elsewhere are not discussed here; nor are fire-assaying for noble metals and decomposition techniques for X-ray fluorescence or nuclear methods be discussed. ?? 1992.

  9. Exploring Fundamental Concepts in Aqueous Solution Conductivity: A General Chemistry Laboratory Exercise

    Science.gov (United States)

    Nyasulu, Frazier; Stevanov, Kelly; Barlag, Rebecca

    2010-01-01

    Using a conductivity sensor, a temperature sensor, and a datalogger, fundamental factors that affect conductivity are explored. These factors are (i) concentration, (ii) temperature, (iii) ion charge, and (iv) size and or mass of anion. In addition, the conductivities of a number of other solutions are measured. This lab has been designed to…

  10. Changes in soil solution chemistry of Andisols following invasion by bracken fern

    Science.gov (United States)

    J. L. Johnson-Maynard; P. A. McDaniel; D. E. Ferguson; A. L. Falen

    1998-01-01

    Disturbed areas within the Grand Fir Mosaic (GFM) ecosystem of northern Idaho show little to no natural conifer regeneration. Clear-cut sites are invaded quickly by bracken fern successional communities and seem to be in an arrested state of secondary succession. This study compared the soil solution composition of Andisols supporting bracken fern successional...

  11. High-speed parallel solution of the neutron diffusion equation with the hierarchical domain decomposition boundary element method incorporating parallel communications

    International Nuclear Information System (INIS)

    Tsuji, Masashi; Chiba, Gou

    2000-01-01

    A hierarchical domain decomposition boundary element method (HDD-BEM) for solving the multiregion neutron diffusion equation (NDE) has been fully parallelized, both for numerical computations and for data communications, to accomplish a high parallel efficiency on distributed memory message passing parallel computers. Data exchanges between node processors that are repeated during iteration processes of HDD-BEM are implemented, without any intervention of the host processor that was used to supervise parallel processing in the conventional parallelized HDD-BEM (P-HDD-BEM). Thus, the parallel processing can be executed with only cooperative operations of node processors. The communication overhead was even the dominant time consuming part in the conventional P-HDD-BEM, and the parallelization efficiency decreased steeply with the increase of the number of processors. With the parallel data communication, the efficiency is affected only by the number of boundary elements assigned to decomposed subregions, and the communication overhead can be drastically reduced. This feature can be particularly advantageous in the analysis of three-dimensional problems where a large number of processors are required. The proposed P-HDD-BEM offers a promising solution to the deterioration problem of parallel efficiency and opens a new path to parallel computations of NDEs on distributed memory message passing parallel computers. (author)

  12. Physico-chemistry of adsorption of copper, nickel and cobalt on lignite from ammoniacal solutions

    International Nuclear Information System (INIS)

    Khattak, M.I.

    2004-01-01

    The present paper deals with a process developed for lignite adsorption that can be used to prevent the hard scale formation during distillation of NH/sub 3/ and CO/sub 2/, recover Cu, Ni and Cr from dilute solutions, Cu and NH/sub 3/ from waste effluent containing SO/sub 4/ radicals, separate Cu (NH/sub 3/)/sub 4//sup +2/ and AsO/sub 4//sup -3/ from ammonial solutions and recover Cu, Ni and Co from ore pulps. In additions to the study of the adsorptions of M, NH/sub 3/ and CO/sub 2/ on lignite with caustic soda) was also investigated. Changes of the functional groups of humic acid its salt, before and after the adsorption, were examined by infrared adsorption analysis. (author)

  13. Radiation chemistry of the aqueous aluminium nitrate solution (Preprint no. RC-26)

    International Nuclear Information System (INIS)

    Kalkar, C.D.; Date, D.B.

    1991-01-01

    Radiolysis of aqueous aluminium nitrate solution is studied as a function of concentration in the range 10 -4 M to 10 -1 M. The stable radiolytic product of nitrate radiolysis is nitrite. The yield of nitrite linearly increases with absorbed dose. The G(NO 2 ) values are determined at various concentrations of aluminium nitrate. A suitable mechanism is proposed to explain the observed G-value for the reduction of nitrate to nitrite. (author). 6 refs., 1 tab

  14. Aspects of the structure and solution chemistry of some technetium-tripolyphosphate complexes

    International Nuclear Information System (INIS)

    Miller, G.G.

    1983-01-01

    Several distinctly different complexes of Tc(III) and Tc(IV) with the ligand tripolyphosphate were prepared and studied electrochemically. In acidic solution, a transient Tc(III) species was observed, the electrochemical behavior of which proves that it is not monomeric in Tc and strongly suggests that it is a dimer. This material is radically different in its polarographic behavior from the Tc(III) complex resulting from the controlled potential electrolysis of TcO 4 - at a mercury pool cathode in the same electrolyte. The latter, air sensitive, complex can be reversibly oxidized to a Tc(IV) complex which is stable towards further oxidation but which undergoes hydrolysis in both acidic and alkaline media. The rate law for the hydrolysis in basic solution is: rate = 582 I mol -1 min -1 [Tc(IV)][OH - ]. The hydrolytic reaction in acidic solution is accelerated by hydrogen ion, indicating that a mechanism different from that in basic media is involved. Tc(IV) tripolyphosphate complexes prepared by ligand exchange reactions of TcBr 6 2- were shown by polarography to be different from the complexes prepared electrochemically. The gel permeation chromatographic behavior of one ligand substitution product showed it to be polymeric with a limiting tripolyphosphate to technetium ratio of 1:1

  15. Chemistry of solutions from the 13°N East Pacific Rise hydrothermal site

    Science.gov (United States)

    Michard, G.; Albarède, F.; Michard, A.; Minster, J.-F.; Charlou, J.-L.; Tan, N.

    1984-03-01

    Ten samples were recovered by the submersible "Cyana" submersible from two groups of hydrothermal vents located 2600 m deep along the East Pacific Rise at 13°N. The maximum measured temperature was 317°C and minimum pH 3.8. A systematic determination of major and trace elements has been carried out and mixing lines between a high-temperature component (HTC) and seawater are observed. The water chemistry of the HTC slightly differs for several elements at the two sites. This HTC is deprived of SO 4 and Mg and is greatly enriched in most other species. Maximum concentrations are (in units per kg): Cl = 0.72mol; Br = 1.1mmol; Na = 0.55mol; K = 29mmol; Rb = 14 μmol; Ca = 52mmol; Sr = 170 μmol; Mn = 750 μmol; Fe = 1mmol; Al = 15 μmol; Si = 21mmol. For many elements, the magnitude of the anomaly relative to seawater does not compare with the results obtained from the Galapagos or East Pacific Rise 21°N. The enrichment of cations relative to seawater is likely related to the huge Cl excess through charge balance. The Br/Cl ratio is close to that for seawater. However, it is not clear whether the Cl excess is due to gas release or basalt hydration (formation of amphibole chlorite or epidote). P-T dependence of SiO 2 solubility suggests that water-rock interaction last occurred at a depth in excess of 1 km below the sea floor. A mixing line of 87Sr/ 86Sr vs. Mg/Sr demonstrates that the HTCs have a nearly identical 87Sr/ 86Sr ratio of 0.7041 for both sites. A water/rock ratio of about 5 is inferred, which differs from the 1.5 value obtained at 21°N.

  16. Land cover controls on summer discharge and runoff solution chemistry of semi-arid urban catchments

    Science.gov (United States)

    Gallo, Erika L.; Brooks, Paul D.; Lohse, Kathleen A.; McLain, Jean E. T.

    2013-04-01

    SummaryRecharge of urban runoff to groundwater as a stormwater management practice has gained importance in semi-arid regions where water resources are scarce and urban centers are growing. Despite this trend, the importance of land cover in controlling semi-arid catchment runoff quantity and quality remains unclear. Here we address the question: How do land cover characteristics control the amount and quality of storm runoff in semi-arid urban catchments? We monitored summertime runoff quantity and quality from five catchments dominated by distinct urban land uses: low, medium, and high density residential, mixed use, and commercial. Increasing urban land cover increased runoff duration and the likelihood that a rainfall event would result in runoff, but did not increase the time to peak discharge of episodic runoff. The effect of urban land cover on hydrologic responses was tightly coupled to the magnitude of rainfall. At distinct rainfall thresholds, roads, percent impervious cover and the stormwater drainage network controlled runoff frequency, runoff depth and runoff ratios. Contrary to initial expectations, runoff quality did not vary in repose to impervious cover or land use. We identified four major mechanisms controlling runoff quality: (1) variable solute sourcing due to land use heterogeneity and above ground catchment connectivity; (2) the spatial extent of pervious and biogeochemically active areas; (3) the efficiency of overland flow and runoff mobilization; and (4) solute flushing and dilution. Our study highlights the importance of the stormwater drainage systems characteristics in controlling urban runoff quantity and quality; and suggests that enhanced wetting and in-stream processes may control solute sourcing and retention. Finally, we suggest that the characteristics of the stormwater drainage system should be integrated into stormwater management approaches.

  17. Analytical chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Chae, Myeong Hu; Lee, Hu Jun; Kim, Ha Seok

    1989-02-15

    This book give explanations on analytical chemistry with ten chapters, which deal with development of analytical chemistry, the theory of error with definition and classification, sample and treatment gravimetry on general process of gravimetry in aqueous solution and non-aqueous solution, precipitation titration about precipitation reaction and types, complexometry with summary and complex compound, oxidation-reduction equilibrium on electrode potential and potentiometric titration, solvent extraction and chromatograph and experiment with basic operation for chemical experiment.

  18. Analytical chemistry

    International Nuclear Information System (INIS)

    Chae, Myeong Hu; Lee, Hu Jun; Kim, Ha Seok

    1989-02-01

    This book give explanations on analytical chemistry with ten chapters, which deal with development of analytical chemistry, the theory of error with definition and classification, sample and treatment gravimetry on general process of gravimetry in aqueous solution and non-aqueous solution, precipitation titration about precipitation reaction and types, complexometry with summary and complex compound, oxidation-reduction equilibrium on electrode potential and potentiometric titration, solvent extraction and chromatograph and experiment with basic operation for chemical experiment.

  19. Equilibrium and kinetic models for colloid release under transient solution chemistry conditions.

    Science.gov (United States)

    Bradford, Scott A; Torkzaban, Saeed; Leij, Feike; Simunek, Jiri

    2015-10-01

    We present continuum models to describe colloid release in the subsurface during transient physicochemical conditions. Our modeling approach relates the amount of colloid release to changes in the fraction of the solid surface area that contributes to retention. Equilibrium, kinetic, equilibrium and kinetic, and two-site kinetic models were developed to describe various rates of colloid release. These models were subsequently applied to experimental colloid release datasets to investigate the influence of variations in ionic strength (IS), pH, cation exchange, colloid size, and water velocity on release. Various combinations of equilibrium and/or kinetic release models were needed to describe the experimental data depending on the transient conditions and colloid type. Release of Escherichia coli D21g was promoted by a decrease in solution IS and an increase in pH, similar to expected trends for a reduction in the secondary minimum and nanoscale chemical heterogeneity. The retention and release of 20nm carboxyl modified latex nanoparticles (NPs) were demonstrated to be more sensitive to the presence of Ca(2+) than D21g. Specifically, retention of NPs was greater than D21g in the presence of 2mM CaCl2 solution, and release of NPs only occurred after exchange of Ca(2+) by Na(+) and then a reduction in the solution IS. These findings highlight the limitations of conventional interaction energy calculations to describe colloid retention and release, and point to the need to consider other interactions (e.g., Born, steric, and/or hydration forces) and/or nanoscale heterogeneity. Temporal changes in the water velocity did not have a large influence on the release of D21g for the examined conditions. This insensitivity was likely due to factors that reduce the applied hydrodynamic torque and/or increase the resisting adhesive torque; e.g., macroscopic roughness and grain-grain contacts. Our analysis and models improve our understanding and ability to describe the amounts

  20. Meltwater chemistry and solute export from a Greenland ice sheet catchment, Watson River, West Greenland

    DEFF Research Database (Denmark)

    Yde, Jacob C.; Knudsen, N. Tvis; Hasholt, Bent

    2014-01-01

    –2010 for the Watson River sector of the GrIS that drains into the fjord Kangerlussuaq. The hydrochemistry is dominated by Ca2+ and HCO3− with a relatively high molar K+/Na+ ratio of 0.6 ± 0.1, typical for meltwaters draining a gneissic lithology. Low molar Ca2+/Na+ and Mg2+/Na+ ratios indicate that weathering....... However, when normalized by discharge the denudation rates are comparable to other Arctic sites. When extrapolating the results from the Watson River catchment to the entire Greenland for 2007–2010, the solute export from Greenland meltwater varied between 7.1 × 106 and 7.8 × 106 tons, whilst the major...

  1. Another intermediate in the photochemistry and radiation chemistry of alkaline aqueous solutions

    International Nuclear Information System (INIS)

    Telser, T.; Schindewolf, U.

    1985-01-01

    By UV flash photolytic and pulse radiolytic experiments of aqueous alkaline solutions we confirm older experiments of Walker et al. and Hart et al., showing that the decay of hydrated electrons gives rise to another intermediate X which by light absorption revives hydrated electrons again. X is formed by a reaction of 1. order with respect to hydrated electrons, the rate of its formation increases with pH, and it decays by a second order process with a rate constant not exceeding 5 . 10 9 M -1 sec -1 , probably leading to hydrogen (e - ->X; 2X->H 2 ). X has maximum light absorption around 270 nm with an extinction coefficient of about 5000 M -1 cm -1 . We will not speculate about the nature of X. (orig.)

  2. Guest-host chemistry with dendrimers—binding of carboxylates in aqueous solution

    DEFF Research Database (Denmark)

    Ficker, Mario; Petersen, Johannes Fabritius; Hansen, Jon Stefan

    2015-01-01

    Recognition and binding of anions in water is difficult due to the ability of water molecules to form strong hydrogen bonds and to solvate the anions. The complexation of two different carboxylates with 1-(4-carbomethoxypyrrolidone)-terminated PAMAM dendrimers was studied in aqueous solution using...... the carboxylate-dendrimer interaction selectively. The binding stoichiometry for 3-hydroxy-2-naphthoate was found to be two strongly bound guest molecules per dendrimer and an additional 40 molecules with weak binding affinity. The NOESY NMR showed a clear binding correlation of sodium 3-hydroxy-2-naphthoate...... with the lyophilic dendrimer core, possibly with the two high affinity guest molecules. In comparison, sodium 2-naphthoate showed a weaker binding strength and had a stoichiometry of two guests per dendrimer with no additional weakly bound guests. This stronger dendrimer interaction with sodium 3-hydroxy-2...

  3. Antimicrobial activities of CuO films deposited on Cu foils by solution chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Ekthammathat, Nuengruethai [Department of Chemistry, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand); Thongtem, Titipun, E-mail: ttpthongtem@yahoo.com [Department of Chemistry, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand); Materials Science Research Center, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand); Thongtem, Somchai, E-mail: schthongtem@yahoo.com [Department of Physics and Materials Science, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand); Materials Science Research Center, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand)

    2013-07-15

    Monoclinic CuO thin films on Cu foils were successfully synthesized by a simple wet chemical method in alkaline solution with the pH of 13 at room temperature for different lengths of time. The as-synthesized thin films were characterized by X-ray diffraction (XRD), Fourier transform infrared (FTIR) spectroscopy, scanning electron microscopy (SEM), transmission electron microscopy (TEM) and selected area electron diffraction (SAED). Formation mechanism of the phase and morphologies was also discussed according to the experimental results. In this research, assemblies of pure CuO nanospindles with different orientations containing in the thin film synthesized for 2 weeks with 400 nm and 413 nm violet emissions showed better antimicrobial activity against S. aureus than E. coli.

  4. Antimicrobial activities of CuO films deposited on Cu foils by solution chemistry

    International Nuclear Information System (INIS)

    Ekthammathat, Nuengruethai; Thongtem, Titipun; Thongtem, Somchai

    2013-01-01

    Monoclinic CuO thin films on Cu foils were successfully synthesized by a simple wet chemical method in alkaline solution with the pH of 13 at room temperature for different lengths of time. The as-synthesized thin films were characterized by X-ray diffraction (XRD), Fourier transform infrared (FTIR) spectroscopy, scanning electron microscopy (SEM), transmission electron microscopy (TEM) and selected area electron diffraction (SAED). Formation mechanism of the phase and morphologies was also discussed according to the experimental results. In this research, assemblies of pure CuO nanospindles with different orientations containing in the thin film synthesized for 2 weeks with 400 nm and 413 nm violet emissions showed better antimicrobial activity against S. aureus than E. coli.

  5. Bio fuel ash in a road construction: impact on soil solution chemistry.

    Science.gov (United States)

    Thurdin, R T; van Hees, P A W; Bylund, D; Lundström, U S

    2006-01-01

    Limited natural resources and landfill space, as well as increasing amounts of ash produced from incineration of bio fuel and municipal solid waste, have created a demand for useful applications of ash, of which road construction is one application. Along national road 90, situated about 20 km west of Sollefteå in the middle of Sweden, an experiment road was constructed with a 40 cm bio fuel ash layer. The environmental impact of the ash layer was evaluated from soil solutions obtained by centrifugation of soil samples taken on four occasions during 2001-2003. Soil samples were taken in the ash layer, below the ash layer at two depths in the road and in the ditch. In the soil solutions, pH, conductivity, dissolved organic carbon (DOC) and the total concentration of cations (metals) and anions were determined. Two years after the application of the ash layers in the test road, the concentrations in the ash layer of K, SO4, Zn, and Hg had increased significantly while the concentration of Se, Mo and Cd had decreased significantly. Below the ash layer in the road an initial increase of pH was observed and the concentrations of K, SO4, Se, Mo and Cd increased significantly, while the concentrations of Cu and Hg decreased significantly in the road and also in the ditch. Cd was the element showing a potential risk of contamination of the groundwater. The concentrations of Ca in the ash layer indicated an ongoing hardening, which is important for the leaching rate and the strength of the road construction.

  6. Hydrolysis of Laboratory Made Tholins in Aqueous Solutions: Implications for Prebiotic Chemistry on Titan

    Science.gov (United States)

    Neish, Catherine; Somogyi, Á.; Lunine, J.; Smith, M.

    2008-09-01

    Laboratory experiments that simulate the reactions occurring in Titan's thick nitrogen-methane atmosphere produce complex organic precipitates known as tholins. Tholins have the general formula CxHyNz, and are spectrally similar to Titan's haze. When placed in liquid water, specific water soluble compounds in the tholins have been shown to produce oxygenated organic species with activation energies in the range of 60 ± 10 kJ mol-1 and half-lives between 0.3 and 17 days at 273 K (Neish et al. 2008). Oxygen incorporation into such materials - a necessary step towards the formation of biological molecules - is therefore fast compared to the freezing of impact melts and cryolavas on Titan. The rates quoted above are for reactions occurring in pure liquid water. The composition of impact melts and lavas on Titan are not likely to be pure water, but rather contain a few percent ammonia. Tobie et al. (2005) predict that Titan has a subsurface water layer with an ammonia concentration of 14 wt. % in the present era. The presence of ammonia would likely change the reaction rates and yields of the hydrolysis reactions of tholins. We have therefore extended our work to include the measurement of tholin hydrolysis rate coefficients in ammonia-water solutions. In this work, tholins were synthesized from a 0.98 N2/0.02 CH4 atmosphere in a high voltage AC flow discharge reactor, and dissolved in a 13 wt. % ammonia-water solution. Rates were determined by monitoring intensity changes of select species over time using high resolution FT-ICR MS. Comparisons between rates of similar species observed at different pH will be presented. This work was supported by the NASA Exobiology Program. C. Neish was supported by an NSERC Postgraduate Scholarship.

  7. Progress report 1981-1982. Reactor Chemistry Department

    International Nuclear Information System (INIS)

    1983-08-01

    Review of the activities performed by the Reactor Chemistry Department of the National Atomic Energy Commission of Argentina during 1981-1982. This Department provides services and assistance in all matters related to water chemistry and nuclear reactors chemistry, in all their phases: design, construction, commissioning and decommissioning. During this period, the following tasks were performed: study of the metallic oxide-water interphases; determination of the goethite and magnetite surficial charges; synthesis of the monodispersed nickel ferrites; study of the iron oxides dissolution mechanism in presence of different complexing agents; chemical decontamination of structural metals; thermodynamics of the water-nitrogen system; physico-chemical studies of aqueous solutions at high temperatures; hydrothermal decomposition of ionic exchange resines and study of the equilibria of the anionic exchange for the chemistry of pressurized reactor's primary loops. The appendix includes information on the Reactor Chemistry Department staff, its publications, services, seminars, courses and conferences performed during 1981-1982. (R.J.S.) [es

  8. Adsorption of sodium dodecylbenzenesulfonate on activated carbons: effects of solution chemistry and presence of bacteria.

    Science.gov (United States)

    Bautista-Toledo, M I; Méndez-Díaz, J D; Sánchez-Polo, M; Rivera-Utrilla, J; Ferro-García, M A

    2008-01-01

    The objective of the present investigation was to determine the effectiveness of activated carbon in removing sodium dodecylbenzenesulfonate (SDBS) and to analyze the chemical and textural characteristics of the activated carbons that are involved in the adsorption process. Studies were also performed on the influence of operational variables (pH, ionic strength, and presence of microorganisms) and on the kinetics and interactions involved in the adsorption of this pollutant on activated carbon. The kinetics study of SDBS adsorption revealed no problems in its diffusion on any of the activated carbons studied, and Weisz-Prater coefficient (C WP) values were considerably lower than unity for all activated carbons studied. SDBS adsorption isotherms on these activated carbons showed that: (i) adsorption capacity of activated carbons was very high (260-470 mg/g) and increased with larger surface area; and (ii) dispersive interactions between SDBS and carbon surface were largely responsible for the adsorption of this pollutant. SDBS adsorption was not significantly affected by the solution pH, indicating that electrostatic adsorbent-adsorbate interactions do not play an important role in this process. The presence of electrolytes (NaCl) in the medium favors SDBS adsorption, accelerating the process and increasing adsorption capacity. Under the working conditions used, SDBS is not degraded by bacteria; however, the presence of bacteria during the process accelerates and increases SDBS adsorption on the activated carbon. Microorganism adsorption on the activated carbon surface increases its hydrophobicity, explaining the results observed.

  9. Understanding the defect chemistry of alkali metal strontium silicate solid solutions: insights from experiment and theory

    KAUST Repository

    Bayliss, Ryan D.; Cook, Stuart N.; Scanlon, David O.; Fearn, Sarah; Cabana, Jordi; Greaves, Colin; Kilner, John A.; Skinner, Stephen J.

    2014-01-01

    © the Partner Organisations 2014. Recent reports of remarkably high oxide ion conduction in a new family of strontium silicates have been challenged. It has recently been demonstrated that, in the nominally potassium substituted strontium germanium silicate material, the dominant charge carrier was not the oxygen ion, and furthermore that the material was not single phase (R. D. Bayliss et. al., Energy Environ. Sci., 2014, DOI: 10.1039/c4ee00734d). In this work we re-investigate the sodium-doped strontium silicate material that was reported to exhibit the highest oxide ion conductivity in the solid solution, nominally Sr0.55Na0.45SiO2.775. The results show lower levels of total conductivity than previously reported and sub-micron elemental mapping demonstrates, in a similar manner to that reported for the Sr0.8K0.2Si0.5Ge0.5O2.9 composition, an inhomogeneous chemical distribution correlating with a multiphase material. It is also shown that the conductivity is not related to protonic mobility. A density functional theory computational approach provides a theoretical justification for these new results, related to the high energetic costs associated with oxygen vacancy formation. This journal is

  10. Understanding the defect chemistry of alkali metal strontium silicate solid solutions: insights from experiment and theory

    KAUST Repository

    Bayliss, Ryan D.

    2014-09-24

    © the Partner Organisations 2014. Recent reports of remarkably high oxide ion conduction in a new family of strontium silicates have been challenged. It has recently been demonstrated that, in the nominally potassium substituted strontium germanium silicate material, the dominant charge carrier was not the oxygen ion, and furthermore that the material was not single phase (R. D. Bayliss et. al., Energy Environ. Sci., 2014, DOI: 10.1039/c4ee00734d). In this work we re-investigate the sodium-doped strontium silicate material that was reported to exhibit the highest oxide ion conductivity in the solid solution, nominally Sr0.55Na0.45SiO2.775. The results show lower levels of total conductivity than previously reported and sub-micron elemental mapping demonstrates, in a similar manner to that reported for the Sr0.8K0.2Si0.5Ge0.5O2.9 composition, an inhomogeneous chemical distribution correlating with a multiphase material. It is also shown that the conductivity is not related to protonic mobility. A density functional theory computational approach provides a theoretical justification for these new results, related to the high energetic costs associated with oxygen vacancy formation. This journal is

  11. Heterometallic molecular precursors for a lithium-iron oxide material: synthesis, solid state structure, solution and gas-phase behaviour, and thermal decomposition.

    Science.gov (United States)

    Han, Haixiang; Wei, Zheng; Barry, Matthew C; Filatov, Alexander S; Dikarev, Evgeny V

    2017-05-02

    Three heterometallic single-source precursors with a Li : Fe = 1 : 1 ratio for a LiFeO 2 oxide material are reported. Heterometallic compounds LiFeL 3 (L = tbaoac (1), ptac (2), and acac(3)) have been obtained on a large scale, in nearly quantitative yields by one-step reactions that employ readily available reagents. The heterometallic precursor LiFe(acac) 3 (3) with small, symmetric substituents on the ligand (acac = pentane-2,4-dionate), maintains a 1D polymeric structure in the solid state that limits its volatility and prevents solubility in non-coordinating solvents. The application of the unsymmetrical ligands, tbaoac (tert-butyl acetoacetate) and ptac (1,1,1-trifluoro-5,5-dimethyl-2,4-hexanedionate), that exhibit different bridging properties at the two ends of the ligand, allowed us to change the connectivity pattern within the heterometallic assembly. The latter was demonstrated by structural characterization of heterometallic complexes LiFe(tbaoac) 3 (1) and LiFe(ptac) 3 (2) that consist of discrete heterocyclic tetranuclear molecules Li 2 Fe 2 L 6 . The compounds are highly volatile and exhibit a congruent sublimation character. DART mass spectrometric investigation revealed the presence of heterometallic molecules in the gas phase. The positive mode spectra are dominated by the presence of [M - L] + peaks (M = Li 2 Fe 2 L 6 ). In accord with their discrete molecular structure, complexes 1 and 2 are highly soluble in nearly all common solvents. In order to test the retention of the heterometallic structure in solution, the diamagnetic analog of 1, LiMg(tbaoac) 3 (4), has been isolated. Its tetranuclear molecular structure was found to be isomorphous to that of the iron counterpart. 1 H and 7 Li NMR spectroscopy unambiguously confirmed the presence of heterometallic molecules in solutions of non-coordinating solvents. The heterometallic precursor 1 was shown to exhibit clean thermal decomposition in air that results in phase-pure

  12. Effects of solution chemistry on arsenic(V) removal by low-cost adsorbents.

    Science.gov (United States)

    Wang, Yuru; Tsang, Daniel C W

    2013-11-01

    Natural and anthropogenic arsenic (As) contamination of water sources pose serious health concerns, especially for small communities in rural areas. This study assessed the applicability of three industrial byproducts (coal fly ash, lignite, and green waste compost) as the low-cost adsorbents for As(V) removal under various field-relevant conditions (dissolved oxygen, As(V)/Fe ratio, solution pH, and presence of competing species). The physico-chemical properties of the adsorbents were characterized by XRD, XRF, FT-IR, and NMR analysis. Batch experiments demonstrated that coal fly ash could provide effective As(V) removal (82.1%-95%) because it contained high content of amorphous iron/aluminium hydroxides for As(V) adsorption and dissolvable calcium minerals for calcium arsenate precipitation. However, the addition of lignite and green waste compost was found unfavourable since they hindered the As(V) removal by 10%-42% possibly due to dissolution of organic matter and ternary arsenate-iron-organic matter complexes. On the other hand, higher concentrations of dissolved iron (comparing As(V)/Fe ratios of 1:1 and 1:10) and dissolved oxygen (comparing 0.2 and 6 mg/L) only marginally enhanced the As(V) removal at pH 6 and 8. Thus, addition of dissolved iron, water aeration, or pH adjustment became unnecessary because coal fly ash was able to provide effective As(V) removal under the natural range of geochemical conditions. Moreover, the presence of low levels of background competing (0.8 or 8 mg/L of humic acid, phosphate, and silicate) imposed little influence on As(V) removal, possibly because the high adsorption capacity of coal fly ash was far from exhaustion. These results suggested that coal fly ash was a potentially promising adsorbent that warranted further investigation.

  13. Alteration of non-metallic barriers and evolution of solution chemistry in salt formations in Germany

    International Nuclear Information System (INIS)

    Herbert, H.J.; Becker, D.; Hagemann, S.; Meyer, Th.; Noseck, U.; Rubel, A.; Mauke, R.; Wollrath, J.

    2005-01-01

    Different Engineered Barrier Systems (EBS) materials considered in Germany for the sealing of repositories in salt formations are presented. Their long term behaviour in terms of interactions with salt solutions is discussed and evaluated. The discussed EBS materials are crushed salt, self sealing salt backfill, bentonite and salt concrete. Whereas the knowledge concerning the geochemical, geomechanical, hydrological and thermal behavior of crushed salt and salt concrete is well advanced further research is needed for other EBS materials. The self healing salt backfill has also been investigated in depth recently. In order to fully qualify this material large scale in situ experiments are still needed. The present knowledge on compacted bentonites in a salt environment is not yet sufficient for reliable predictions of the long-term performance in salt formations. The sealing concept of the low- and intermediate-level Radioactive Waste Repository Morsleben (ERAM) in a former rock salt and potash mine is presented. This concept is based on cementitious materials, i.e. salt concrete. The geochemical stability of different salt concretes in contact with brines expected in ERAM is addressed. It is shown how the results from leaching experiments and geochemical modelling are used in the safety analyses and how the chemical boundary conditions prevailing in the EBS influence the development of the permeability of the sealing system and thus control the radionuclide release. As a result of modelling the behaviour of the seals in the safety assessment it is shown, that the seals are corroded within a time span of about 20 000 years. The influence of the uncertainty in the model parameters on the safety of the repository was assessed by a variation of the initial permeability of the seal. The maximum dose rate resulting from the radionuclide release from ERAM is nearly independent of the variation of the initial permeability within four orders of magnitude. (authors)

  14. Modeling the acid-base chemistry of organic solutes in Adirondack, New York, lakes

    Science.gov (United States)

    Driscoll, Charles T.; Lehtinen, Michael D.; Sullivan, Timothy J.

    1994-02-01

    Data from the large and diverse Adirondack Lake Survey were used to calibrate four simple organic acid analog models in an effort to quantify the influence of naturally occurring organic acids on lake water pH and acid-neutralizing capacity (ANC). The organic acid analog models were calibrated to observations of pH, dissolved organic carbon (DOC), and organic anion (An-) concentrations from a reduced data set representing 1128 individual lake samples, expressed as 41 observations of mean pH, in intervals of 0.1 pH units from pH 3.9 to 7.0. Of the four organic analog approaches examined, including the Oliver et al. (1983) model, as well as monoprotic, diprotic, and triprotic representations, the triprotic analog model yielded the best fit (r2 = 0.92) to the observed data. Moreover, the triprotic model was qualitatively consistent with observed patterns of change in organic solute charge density as a function of pH. A low calibrated value for the first H+ dissociation constant (pKal = 2.62) and the observation that organic anion concentrations were significant even at very low pH (acidic functional groups. Inclusion of organic acidity in model calculations resulted in good agreement between measured and predicted values of lake water pH and ANC. Assessments to project the response of surface waters to future changes in atmospheric deposition, through the use of acidification models, will need to include representations of organic acids in model structure to make accurate predictions of pH and ANC.

  15. Volatility of ruthenium during vitrification operations on fission products. part 1. nitric solutions distillation concentrates calcination. part 2. fixation on a steel tube. decomposition of the peroxide; Volatilite du ruthenium au cours des operations de vitrification des produits de fission. 1. partie distillation des solutions nitriques calcination des concentrats 2. partie fixation sur un tube d'acier decomposition du peroxyde

    Energy Technology Data Exchange (ETDEWEB)

    Ortins de Bettencourt, A; Jouan, A [Commissariat a l' Energie Atomique, Fontenay-aux-Roses (France). Centre d' Etudes Nucleaires

    1969-07-01

    During vitrification of fission product solutions, a high percentage of the ruthenium initially present in these solutions in the form of nitrosyl-ruthenium nitrates is volatilized with the production of the peroxide which itself is decomposed to ruthenium dioxide. The aim of this work has been to study the volatility of the ruthenium during the vitrification processes. During the distillation of the nitric solutions, we have studied in particular the influence on the volatility of the temperature , of the chemical form in which the ruthenium is introduced, of the bubbling of a gas through the solution, of the nitric concentration and of the nitrate concentration. During the calcination, we have observed the influence of the temperature, of the time, of the flow rate and of the nature of the carrier gas, as well as of the action of the ruthenium bi-oxide and the iron oxide on the volatility of the ruthenium. Part 2. This report deals with the study of the thermal decomposition of ruthenium peroxide, RuO{sub 4}, and its deposition on steel tubing. After a brief bibliographic review of the various properties of this substance, a study is made, in the first part, of its deposition on a steel tube. In order to do this, we pass a gas current containing RuO{sub 4} marked with {sup 106}Ru through a stainless steel tube subjected to a temperature gradient which decreases in the direction of the gas flow. The temperature at which RuO{sub 4} is deposited or is fixed on the tube is determined and the influence of the flow rate on this deposit is studied. In the second part, an attempt has been made to study by a static method the kinetics of the decomposition reaction of ruthenium peroxide to give the dioxide: RuO{sub 4} {yields} RuO{sub 2} + O{sub 2}. To do this, we have tried to introduce gaseous RuO{sub 4} into a container placed in an electric oven, and to follow the reaction by {gamma} counting. (author) [French] Au cours de la vitrification des solutions de produits de

  16. Volatility of ruthenium during vitrification operations on fission products. part 1. nitric solutions distillation concentrates calcination. part 2. fixation on a steel tube. decomposition of the peroxide; Volatilite du ruthenium au cours des operations de vitrification des produits de fission. 1. partie distillation des solutions nitriques calcination des concentrats 2. partie fixation sur un tube d'acier decomposition du peroxyde

    Energy Technology Data Exchange (ETDEWEB)

    Ortins de Bettencourt, A.; Jouan, A. [Commissariat a l' Energie Atomique, Fontenay-aux-Roses (France). Centre d' Etudes Nucleaires

    1969-07-01

    During vitrification of fission product solutions, a high percentage of the ruthenium initially present in these solutions in the form of nitrosyl-ruthenium nitrates is volatilized with the production of the peroxide which itself is decomposed to ruthenium dioxide. The aim of this work has been to study the volatility of the ruthenium during the vitrification processes. During the distillation of the nitric solutions, we have studied in particular the influence on the volatility of the temperature , of the chemical form in which the ruthenium is introduced, of the bubbling of a gas through the solution, of the nitric concentration and of the nitrate concentration. During the calcination, we have observed the influence of the temperature, of the time, of the flow rate and of the nature of the carrier gas, as well as of the action of the ruthenium bi-oxide and the iron oxide on the volatility of the ruthenium. Part 2. This report deals with the study of the thermal decomposition of ruthenium peroxide, RuO{sub 4}, and its deposition on steel tubing. After a brief bibliographic review of the various properties of this substance, a study is made, in the first part, of its deposition on a steel tube. In order to do this, we pass a gas current containing RuO{sub 4} marked with {sup 106}Ru through a stainless steel tube subjected to a temperature gradient which decreases in the direction of the gas flow. The temperature at which RuO{sub 4} is deposited or is fixed on the tube is determined and the influence of the flow rate on this deposit is studied. In the second part, an attempt has been made to study by a static method the kinetics of the decomposition reaction of ruthenium peroxide to give the dioxide: RuO{sub 4} {yields} RuO{sub 2} + O{sub 2}. To do this, we have tried to introduce gaseous RuO{sub 4} into a container placed in an electric oven, and to follow the reaction by {gamma} counting. (author) [French] Au cours de la vitrification des solutions de produits de

  17. RETENTION OF HUMIC ACID FROM WATER BY NANOFILTRATION MEMBRANE AND INFLUENCE OF SOLUTION CHEMISTRY ON MEMBRANE PERFORMANCE

    Directory of Open Access Journals (Sweden)

    M. A. Zazouli, S. Nasseri, A. H. Mahvi, M. Gholami, A. R. Mesdaghinia, M. Younesian

    2008-01-01

    Full Text Available The objectives of this research were to investigate the rejection efficiency of salt and hydrophobic fraction of natural organic matter, to study the flux decline behavior with a spiral wound nanofiltration membrane, and also to survey the influence of water chemistry on membrane performance. Experiments were conducted using a cross flow pilot-scale membrane unit with a full circulation mode. Humic acid was used as hydrophobic organic matter and NaCl as background electrolyte. Results showed that flux reduction increased with increasing ionic strength and humic acid concentration, and with lower pH. The rejection efficiency of organic and salt decreased with the decrease in pH and increase in ionic strength, because of osmotic pressure increase, leading to permeate flux decline and decrease in salt rejection. In addition, the improved salt rejection was likely due to Donnan exclusion by humic material close to membrane surfaces. The average rejection efficiency of humic acid and salt ranged between 91.2%-95.25% and 63.6%-80%, respectively. Dissolved organic carbon concentration was less than 0.57mg/L in permeate for all experiments. With increasing organic concentration, the charge of the membrane surface has become more negative due to the adsorption of organic foulants on the membrane surface, and thus increased the electrostatic repulsion. However, the increasing surface charge had the potential to result in a larger molecular weight cut-off of a fouled membrane due to membrane swelling which can lead to lower rejection solutes. Therefore, results of this study indicated that membrane fouling may significantly affect the rejection of organic and ion solute.

  18. Modelling the response of soil and soil solution chemistry upon roofing a forest in an area with high nitrogen deposition

    Directory of Open Access Journals (Sweden)

    C. van der Salm

    1998-01-01

    Full Text Available In the Speuld forest, the Netherlands, the dynamic soil acidification model NuCSAM has been applied to a manipulation experiment in which part of the forest was roofed to control nitrogen (N and sulphur (S deposition. The roofed area was divided into two subplots watered artificially; one received ambient N and S deposition and one with pristine N and S deposition. Concentration measurements on each plots showed a high (time-dependent spatial variability. Statistical analyses of the concentrations on both subplots showed small but significant effects of the reduction in deposition on nitrate (NO3 sulphate (SO4 and aluminum (Al concentrations. The statistical significance of the effects was minimised by the large spatial variability within the plots. Despite these shortcomings, simulated concentrations were generally within the 95% confidence interval of the measurements although the effect of a reduction in N deposition on soil solution chemistry was underestimated due to a marked decline in N-uptake by the vegetation.

  19. General chemistry

    International Nuclear Information System (INIS)

    Kwon, Yeong Sik; Lee, Dong Seop; Ryu, Haung Ryong; Jang, Cheol Hyeon; Choi, Bong Jong; Choi, Sang Won

    1993-07-01

    The book concentrates on the latest general chemistry, which is divided int twenty-three chapters. It deals with basic conception and stoichiometry, nature of gas, structure of atoms, quantum mechanics, symbol and structure of an electron of ion and molecule, chemical thermodynamics, nature of solid, change of state and liquid, properties of solution, chemical equilibrium, solution and acid-base, equilibrium of aqueous solution, electrochemistry, chemical reaction speed, molecule spectroscopy, hydrogen, oxygen and water, metallic atom; 1A, IIA, IIIA, carbon and atom IVA, nonmetal atom and an inert gas, transition metals, lanthanons, and actinoids, nuclear properties and radioactivity, biochemistry and environment chemistry.

  20. A solution approach based on Benders decomposition for the preventive maintenance scheduling problem of a stochastic large-scale energy system

    DEFF Research Database (Denmark)

    Lusby, Richard Martin; Muller, Laurent Flindt; Petersen, Bjørn

    2013-01-01

    This paper describes a Benders decomposition-based framework for solving the large scale energy management problem that was posed for the ROADEF 2010 challenge. The problem was taken from the power industry and entailed scheduling the outage dates for a set of nuclear power plants, which need...... to be regularly taken down for refueling and maintenance, in such away that the expected cost of meeting the power demand in a number of potential scenarios is minimized. We show that the problem structure naturally lends itself to Benders decomposition; however, not all constraints can be included in the mixed...

  1. Green Chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Collison, Melanie

    2011-05-15

    Green chemistry is the science of chemistry used in a way that will not use or create hazardous substances. Dr. Rui Resendes is working in this field at GreenCentre Canada, an offshoot of PARTEQ Innovations in Kingston, Ontario. GreenCentre's preliminary findings suggest their licensed product {sup S}witchable Solutions{sup ,} featuring 3 classes of solvents and a surfactant, may be useful in bitumen oil sands extraction.

  2. Transport and retention of biochar nanoparticles in a paddy soil under environmentally-relevant solution chemistry conditions.

    Science.gov (United States)

    Chen, Ming; Wang, Dengjun; Yang, Fan; Xu, Xiaoyun; Xu, Nan; Cao, Xinde

    2017-11-01

    Land application of biochar has been increasingly recommended as a powerful strategy for carbon sequestration and soil remediation. However, the biochar particles, especially those in the nanoscale range, may migrate or carry the inherent contaminants along the soil profile, posing a potential risk to the groundwater. This study investigated the transport and retention of wood chip-derived biochar nanoparticles (NPs) in water-saturated columns packed with a paddy soil. The environmentally-relevant soil solution chemistry including ionic strength (0.10-50 mM), electrolyte type (NaCl and CaCl 2 ), and natural organic matter (0-10 mg L -1 humic acid) were tested to elucidate their effects on the biochar NPs transport. Higher mobility of biochar NPs was observed in the soil at lower ionic strengths, with CaCl 2 electrolyte being more effective than NaCl in decreasing biochar NPs transport. The retained biochar NPs in NaCl was re-entrained (∼57.7%) upon lowering transient pore-water ionic strength, indicating that biochar NPs were reversibly retained in the secondary minimum. In contrast, negligible re-entrainment of biochar NPs occurred in CaCl 2 due to the primary minimum and/or particle aggregation. Humic acid increased the mobility of biochar NPs, likely due to enhanced electrosteric repulsive interactions. The transport behaviors of biochar NPs can be well interpreted by a two-site kinetic retention model that assumes reversible retention for one site, and irreversible retention for the other site. Our findings indicated that the transport of wood chip biochar NPs is significant in the paddy soil, highlighting the importance of understanding the mobility of biochar NPs in natural soils for accurately assessing their environmental impacts. Copyright © 2017 Elsevier Ltd. All rights reserved.

  3. Removal of triazine-based pollutants from water by carbon nanotubes: Impact of dissolved organic matter (DOM) and solution chemistry.

    Science.gov (United States)

    Engel, Maya; Chefetz, Benny

    2016-12-01

    Adsorption of organic pollutants by carbon nanotubes (CNTs) in the environment or removal of pollutants during water purification require deep understanding of the impacts of the presence of dissolved organic matter (DOM). DOM is an integral part of environmental systems and plays a key role affecting the behavior of organic pollutants. In this study, the effects of solution chemistry (pH and ionic strength) and the presence of DOM on the removal of atrazine and lamotrigine by single-walled CNTs (SWCNTs) was investigated. The solubility of atrazine slightly decreased (∼5%) in the presence of DOM, whereas that of lamotrigine was significantly enhanced (by up to ∼70%). Simultaneous introduction of DOM and pollutant resulted in suppression of removal of both atrazine and lamotrigine, which was attributed to DOM-pollutant competition or blockage of adsorption sites by DOM. However the decrease in removal of lamotrigine was also a result of its complexation with DOM. Pre-introduction of DOM significantly reduced pollutant adsorption by the SWCNTs, whereas introduction of DOM after the pollutant resulted in the release of adsorbed atrazine and lamotrigine from the SWCNTs. These data imply that DOM exhibits higher affinity for the adsorption sites than the triazine-based pollutants. In the absence of DOM atrazine was a more effective competitor than lamotrigine for adsorption sites in SWCNTs. However, competition between pollutants in the presence of DOM revealed lamotrigine as the better competitor. Our findings help unravel the complex DOM-organic pollutant-CNT system and will aid in CNT-implementation in water-purification technologies. Copyright © 2016 Elsevier Ltd. All rights reserved.

  4. Effects of humic acid and solution chemistry on the aggregation and dispersion of carboxyl-functionalized carbon black nanoparticles

    Science.gov (United States)

    Hwang, G.; Gomez-Flores, A.; Choi, S.; Han, Y., , Dr; Kim, H.

    2017-12-01

    The influence of humic acid, ionic strength and ionic species on the aggregation and dispersion of carboxyl-functionalized carbon black nanoparticles (CB-NPs) was systemically investigated in aqueous media. The experimental conditions of stability tests were selected to the changes in the solution chemistry (0.1-10 mM NaCl and 0.01-1 mM CaCl2) and in the presence/absence of humic acid (1 and 5 mg L-1) in an aquatic environment. The CB-NPs suspension was more rapidly settled in NaCl solution than in CaCl2. Specifically, in the case of NaCl, the aggregation rate of CB-NPs increased with ionic strength. Contrary, CB-NPs dispersed in CaCl2 were insensitive to the aggregation as the ionic strength increased; that was because specific adsorption of the divalent cation Ca2+ occurred since the zeta potential of the CB-NPs is reversed to a positive charge with increasing of the ionic strength. It was confirmed that humic acid greatly influences the stability of the CB-NPs. In particular, the dispersion of CB-NPs was improved in the whole range of ionic strengths of NaCl as well as of CaCl2. To support the results, the interaction energy between CB-NPs was calculated for each condition by using the classical Derjaguin-Landau-Verwey-Overbeek (DLVO) and modified-DLVO theories. In the presence of humic acid, the improved stability of CB-NPs is attributed to the steric repulsive force.This research was supported by the Basic Science Research Program through the National Research Foundation of Korea (NRF) funded by the Ministry of Education (NRF-2015R1D1A3A01020766), the Ministry of Education (MOE) and National Research Foundation of Korea (NRF) through the Human Resource Training Project for Regional Innovation (2015H1C1A1035930) and Korea Energy and Mineral Resources Engineering Program (KEMREP).

  5. Radiation chemistry

    International Nuclear Information System (INIS)

    Swallow, A.J.

    1983-01-01

    The subject is covered in chapters, entitled: introduction (defines scope of article as dealing with the chemistry of reactive species, (e.g. excess electrons, excited states, free radicals and inorganic ions in unusual valency states) as studied using radiation with radiation chemistry in its traditional sense and with biological and industrial applications); gases; water and simple inorganic systems; aqueous metallo-organic compounds and metalloproteins; small organic molecules in aqueous solution; microheterogeneous systems; non-aqueous liquids and solutions; solids; biological macromolecules; synthetic polymers. (U.K.)

  6. Thermal decomposition of the b.c.c. β-solid solution of titanium alloy containing 6.7 at% Mo, 3 at% Zr, and 1.8 at% Sn. 1

    International Nuclear Information System (INIS)

    Zakharova, M.I.; Khundzhua, A.K.; Kertesz, L.; Szasz, A.

    1981-01-01

    Changes in the crystal structure of the titanium alloy, containing 6.7 at% Mo, 3 at% Zr, and 1.8 at% Sn, during thermal decomposition are followed by means of X-ray and electron diffraction methods. Parallel to these tests the alteration in the electron structure and chemical bonds of the alloy are investigated with the help of the soft-x-ray emission (SXES) method. Attention is focussed on the at room temperature not equilibrated b.c.c. β-solid solution, on the metastable transition phase ω, and on the equilibrium phase α. (author)

  7. Effects of simulated acid rain on soil and soil solution chemistry in a monsoon evergreen broad-leaved forest in southern China.

    Science.gov (United States)

    Qiu, Qingyan; Wu, Jianping; Liang, Guohua; Liu, Juxiu; Chu, Guowei; Zhou, Guoyi; Zhang, Deqiang

    2015-05-01

    Acid rain is an environmental problem of increasing concern in China. In this study, a laboratory leaching column experiment with acid forest soil was set up to investigate the responses of soil and soil solution chemistry to simulated acid rain (SAR). Five pH levels of SAR were set: 2.5, 3.0, 3.5, 4.0, and 4.5 (as a control, CK). The results showed that soil acidification would occur when the pH of SAR was ≤3.5. The concentrations of NO₃(-)and Ca(2+) in the soil increased significantly when the pH of SAR fell 3.5. The concentration of SO₄(2-) in the soil increased significantly when the pH of SAR was soil solution chemistry became increasingly apparent as the experiment proceeded (except for Na(+) and dissolved organic carbon (DOC)). The net exports of NO₃(-), SO₄(2-), Mg(2+), and Ca(2+) increased about 42-86% under pH 2.5 treatment as compared to CK. The Ca(2+) was sensitive to SAR, and the soil could release Ca(2+) through mineral weathering to mitigate soil acidification. The concentration of exchangeable Al(3+) in the soil increased with increasing the acidity of SAR. The releases of soluble Al and Fe were SAR pH dependent, and their net exports under pH 2.5 treatment were 19.6 and 5.5 times, respectively, higher than that under CK. The net export of DOC was reduced by 12-29% under SAR treatments as compared to CK. Our results indicate the chemical constituents in the soil are more sensitive to SAR than those in the soil solution, and the effects of SAR on soil solution chemistry depend not only on the intensity of SAR but also on the duration of SAR addition. The soil and soil solution chemistry in this region may not be affected by current precipitation (pH≈4.5) in short term, but the soil and soil leachate chemistry may change dramatically if the pH of precipitation were below 3.5 and 3.0, respectively.

  8. A review of plutonium oxalate decomposition reactions and effects of decomposition temperature on the surface area of the plutonium dioxide product

    International Nuclear Information System (INIS)

    Orr, R.M.; Sims, H.E.; Taylor, R.J.

    2015-01-01

    Plutonium (IV) and (III) ions in nitric acid solution readily form insoluble precipitates with oxalic acid. The plutonium oxalates are then easily thermally decomposed to form plutonium dioxide powder. This simple process forms the basis of current industrial conversion or ‘finishing’ processes that are used in commercial scale reprocessing plants. It is also widely used in analytical or laboratory scale operations and for waste residues treatment. However, the mechanisms of the thermal decompositions in both air and inert atmospheres have been the subject of various studies over several decades. The nature of intermediate phases is of fundamental interest whilst understanding the evolution of gases at different temperatures is relevant to process control. The thermal decomposition is also used to control a number of powder properties of the PuO_2 product that are important to either long term storage or mixed oxide fuel manufacturing. These properties are the surface area, residual carbon impurities and adsorbed volatile species whereas the morphology and particle size distribution are functions of the precipitation process. Available data and experience regarding the thermal and radiation-induced decompositions of plutonium oxalate to oxide are reviewed. The mechanisms of the thermal decompositions are considered with a particular focus on the likely redox chemistry involved. Also, whilst it is well known that the surface area is dependent on calcination temperature, there is a wide variation in the published data and so new correlations have been derived. Better understanding of plutonium (III) and (IV) oxalate decompositions will assist the development of more proliferation resistant actinide co-conversion processes that are needed for advanced reprocessing in future closed nuclear fuel cycles. - Highlights: • Critical review of plutonium oxalate decomposition reactions. • New analysis of relationship between SSA and calcination temperature. • New SEM

  9. A review of plutonium oxalate decomposition reactions and effects of decomposition temperature on the surface area of the plutonium dioxide product

    Energy Technology Data Exchange (ETDEWEB)

    Orr, R.M.; Sims, H.E.; Taylor, R.J., E-mail: robin.j.taylor@nnl.co.uk

    2015-10-15

    Plutonium (IV) and (III) ions in nitric acid solution readily form insoluble precipitates with oxalic acid. The plutonium oxalates are then easily thermally decomposed to form plutonium dioxide powder. This simple process forms the basis of current industrial conversion or ‘finishing’ processes that are used in commercial scale reprocessing plants. It is also widely used in analytical or laboratory scale operations and for waste residues treatment. However, the mechanisms of the thermal decompositions in both air and inert atmospheres have been the subject of various studies over several decades. The nature of intermediate phases is of fundamental interest whilst understanding the evolution of gases at different temperatures is relevant to process control. The thermal decomposition is also used to control a number of powder properties of the PuO{sub 2} product that are important to either long term storage or mixed oxide fuel manufacturing. These properties are the surface area, residual carbon impurities and adsorbed volatile species whereas the morphology and particle size distribution are functions of the precipitation process. Available data and experience regarding the thermal and radiation-induced decompositions of plutonium oxalate to oxide are reviewed. The mechanisms of the thermal decompositions are considered with a particular focus on the likely redox chemistry involved. Also, whilst it is well known that the surface area is dependent on calcination temperature, there is a wide variation in the published data and so new correlations have been derived. Better understanding of plutonium (III) and (IV) oxalate decompositions will assist the development of more proliferation resistant actinide co-conversion processes that are needed for advanced reprocessing in future closed nuclear fuel cycles. - Highlights: • Critical review of plutonium oxalate decomposition reactions. • New analysis of relationship between SSA and calcination temperature.

  10. Effect of surface chemistry, solution pH, and ionic strength on the removal of herbicides diuron and amitrole from water by an activated carbon fiber.

    Science.gov (United States)

    Fontecha-Cámara, M A; López-Ramón, M V; Alvarez-Merino, M A; Moreno-Castilla, C

    2007-01-30

    A study was conducted on the effects of carbon surface chemistry, solution pH, and ionic strength on the removal of diuron and amitrole from aqueous solutions by adsorption on an as-received and oxidized activated carbon fiber. Results obtained were explained by the surface characteristics of the adsorbents and the characteristics of the herbicide molecules. Under the experimental conditions used, diuron uptake was much higher than that of amitrole, despite its larger molecular dimensions, due to the lesser water solubility, greater hydrophobicity, and larger dipolar moment of diuron compared with amitrole. Uptake variations associated with differences in carbon surface oxidation, solution pH, and ionic strength were explained by corresponding changes in electrostatic, hydrophobic, and van der Waals interactions.

  11. Multiple solutions in the theory of direct current glow discharges: Effect of plasma chemistry and nonlocality, different plasma-producing gases, and 3D modelling

    Energy Technology Data Exchange (ETDEWEB)

    Almeida, P. G. C.; Benilov, M. S. [Departamento de Física, CCCEE, Universidade da Madeira, Largo do Município, 9000 Funchal (Portugal)

    2013-10-15

    The work is aimed at advancing the multiple steady-state solutions that have been found recently in the theory of direct current (DC) glow discharges. It is shown that an account of detailed plasma chemistry and non-locality of electron transport and kinetic coefficients results in an increase of the number of multiple solutions but does not change their pattern. Multiple solutions are shown to exist for discharges in argon and helium provided that discharge pressure is high enough. This result indicates that self-organization in DC glow microdischarges can be observed not only in xenon, which has been the case until recently, but also in other plasma-producing gases; a conclusion that has been confirmed by recent experiments. Existence of secondary bifurcations can explain why patterns of spots grouped in concentric rings, observed in the experiment, possess in many cases higher number of spots in outer rings than in inner ones.

  12. Advanced studies in chemistry control with morpholine

    International Nuclear Information System (INIS)

    Riddle, J.M.

    1992-07-01

    Prior studies at Beaver Valley Unit 1 and at Prairie Island found that the substitution of morpholine for ammonia reduced corrosion and iron transport in the feedtrain of pressurized water reactors. The benefits of using morpholine encouraged other utilities to consider morpholine water chemistry. Calvert Cliffs Unit 1 was the first domestic PWR with deep-bed condensate polishers to use morpholine water chemistry. Typically a bed is operated in the hydrogen cycle for eight to ten days, followed by an additional 25 days in the morpholine cycle. Morpholine reduced feedwater iron levels by 28 percent. With morpholine treatment at Calvert Cliffs Unit 1, corrosion product transport in feedwater was reduced by a factor of 1.3 -- 1.4. Morpholine treatment at higher levels at Prairie Island Unit 2 provided a factor of 2.3 reduction in feedwater iron transport, in agreement with data from Electricity de France. EdF data show that the factor increases as the pH for ammonia chemistry is reduced from 9.5. When possible, the factors were compared at a pH of 9.2 for morpholine at room temperature. Aqueous solutions of morpholine thermally decompose at increasing rates with temperature above about 288 degree C (550 degree F). Oxygen and several metal oxides appear to increase the rate of decomposition to a small extent. Acetate, formate, and various amines, including ammonia, are the principal decomposition products

  13. Total Decomposition of Environmental Radionuclide Samples with a Microwave Oven

    International Nuclear Information System (INIS)

    Ramon Garcia, Bernd Kahn

    1998-01-01

    Closed-vessel microwave assisted acid decomposition was investigated as an alternative to traditional methods of sample dissolution/decomposition. This technique, used in analytical chemistry, has some potential advantages over other procedures. It requires less reagents, it is faster, and it has the potential of achieving total dissolution because of higher temperatures and pressures

  14. Gas phase ion chemistry

    CERN Document Server

    Bowers, Michael T

    1979-01-01

    Gas Phase Ion Chemistry, Volume 1 covers papers on the advances of gas phase ion chemistry. The book discusses the advances in flow tubes and the measurement of ion-molecule rate coefficients and product distributions; the ion chemistry of the earth's atmosphere; and the classical ion-molecule collision theory. The text also describes statistical methods in reaction dynamics; the state selection by photoion-photoelectron coincidence; and the effects of temperature and pressure in the kinetics of ion-molecule reactions. The energy distribution in the unimolecular decomposition of ions, as well

  15. Thermal Decomposition of Aluminium Chloride Hexahydrate

    Czech Academy of Sciences Publication Activity Database

    Hartman, Miloslav; Trnka, Otakar; Šolcová, Olga

    2005-01-01

    Roč. 44, č. 17 (2005), s. 6591-6598 ISSN 0888-5885 R&D Projects: GA ČR(CZ) GA203/02/0002 Institutional research plan: CEZ:AV0Z40720504 Keywords : aluminum chloride hexahydrate * thermal decomposition * reaction kinetics Subject RIV: CI - Industrial Chemistry, Chemical Engineering Impact factor: 1.504, year: 2005

  16. Finite-Difference Solution for Laminar or Turbulent Boundary Layer Flow over Axisymmetric Bodies with Ideal Gas, CF4, or Equilibrium Air Chemistry

    Science.gov (United States)

    Hamilton, H. Harris, II; Millman, Daniel R.; Greendyke, Robert B.

    1992-01-01

    A computer code was developed that uses an implicit finite-difference technique to solve nonsimilar, axisymmetric boundary layer equations for both laminar and turbulent flow. The code can treat ideal gases, air in chemical equilibrium, and carbon tetrafluoride (CF4), which is a useful gas for hypersonic blunt-body simulations. This is the only known boundary layer code that can treat CF4. Comparisons with experimental data have demonstrated that accurate solutions are obtained. The method should prove useful as an analysis tool for comparing calculations with wind tunnel experiments and for making calculations about flight vehicles where equilibrium air chemistry assumptions are valid.

  17. Aespoe HRL - Geoscientific evaluation 1997/4. Results from pre-investigation and detailed site characterization. Comparison of predictions and observations. Hydrogeology, groundwater chemistry and transport of solutes

    Energy Technology Data Exchange (ETDEWEB)

    Rhen, I; Gustafson, Gunnar [VBB Viak AB, Goeteborg (Sweden); Wikberg, P [Swedish Nuclear Fuel and Waste Management Co., Stockholm (Sweden)

    1997-06-01

    The pre-investigations for the Aespoe Hard Rock Laboratory were started in 1986 and involved extensive field measurements, aimed at characterizing the rock formations with regard to geology, hydrogeology, hydrochemistry and rock mechanics. Prior to the excavation in 1990 predictions were made for the excavation phase concerning: geology, ground water flow and chemistry, transport of solutes and mechanical stability. This report presents a comparison between these predictions and the observations made during the excavation. Also, investigation methods for the 700-2874 m sections of the tunnel are evaluated. 157 refs, 190 figs, 37 tabs.

  18. Aespoe HRL - Geoscientific evaluation 1997/4. Results from pre-investigation and detailed site characterization. Comparison of predictions and observations. Hydrogeology, groundwater chemistry and transport of solutes

    International Nuclear Information System (INIS)

    Rhen, I.; Gustafson, Gunnar; Wikberg, P.

    1997-06-01

    The pre-investigations for the Aespoe Hard Rock Laboratory were started in 1986 and involved extensive field measurements, aimed at characterizing the rock formations with regard to geology, hydrogeology, hydrochemistry and rock mechanics. Prior to the excavation in 1990 predictions were made for the excavation phase concerning: geology, ground water flow and chemistry, transport of solutes and mechanical stability. This report presents a comparison between these predictions and the observations made during the excavation. Also, investigation methods for the 700-2874 m sections of the tunnel are evaluated

  19. Domain decomposition and CMFD acceleration applied to discrete-ordinate methods for the solution of the neutron transport equation in XYZ geometries

    International Nuclear Information System (INIS)

    Masiello, Emiliano; Martin, Brunella; Do, Jean-Michel

    2011-01-01

    A new development for the IDT solver is presented for large reactor core applications in XYZ geometries. The multigroup discrete-ordinate neutron transport equation is solved using a Domain-Decomposition (DD) method coupled with the Coarse-Mesh Finite Differences (CMFD). The later is used for accelerating the DD convergence rate. In particular, the external power iterations are preconditioned for stabilizing the oscillatory behavior of the DD iterative process. A set of critical 2-D and 3-D numerical tests on a single processor will be presented for the analysis of the performances of the method. The results show that the application of the CMFD to the DD can be a good candidate for large 3D full-core parallel applications. (author)

  20. A numerical method for the solution of three-dimensional incompressible viscous flow using the boundary-fitted curvilinear coordinate transformation and domain decomposition technique

    International Nuclear Information System (INIS)

    Umegaki, Kikuo; Miki, Kazuyoshi

    1990-01-01

    A numerical method is developed to solve three-dimensional incompressible viscous flow in complicated geometry using curvilinear coordinate transformation and domain decomposition technique. In this approach, a complicated flow domain is decomposed into several subdomains, each of which has an overlapping region with neighboring subdomains. Curvilinear coordinates are numerically generated in each subdomain using the boundary-fitted coordinate transformation technique. The modified SMAC scheme is developed to solve Navier-Stokes equations in which the convective terms are discretized by the QUICK method. A fully vectorized computer program is developed on the basis of the proposed method. The program is applied to flow analysis in a semicircular curved, 90deg elbow and T-shape branched pipes. Computational time with the vector processor of the HITAC S-810/20 supercomputer system, is reduced to 1/10∼1/20 of that with a scalar processor. (author)

  1. The latest general chemistry

    International Nuclear Information System (INIS)

    Ryu, Geun Bae; Choi, Se Yeong; Kim, Chin Yeong; Yoon, Gil Jung; Lee, Eun Seok; Seo, Moon Gyu

    1995-02-01

    This book deals with the latest general chemistry, which is comprised of twenty-three chapters, the contents of this book are introduction, theory of atoms and molecule, chemical formula and a chemical reaction formula, structure of atoms, nature of atoms and the periodic table, structure of molecule and spectrum, gas, solution, solid, chemical combination, chemical reaction speed, chemical equilibrium, thermal chemistry, oxidation-reduction, electrochemistry, acid-base, complex, aquatic chemistry, air chemistry, nuclear chemistry, metal and nonmetal, organic chemistry and biochemistry. It has exercise in the end of each chapter.

  2. Ion binding by humic and fulvic acids: A computational procedure based on functional site heterogeneity and the physical chemistry of polyelectrolyte solutions

    International Nuclear Information System (INIS)

    Marinsky, J.A.; Reddy, M.M.; Ephraim, J.; Mathuthu, A.

    1988-04-01

    Ion binding equilibria for humic and fulvic acids are examined from the point of view of functional site heterogeneity and the physical chemistry of polyelectrolyte solutions. A detailed explanation of the potentiometric properties of synthetic polyelectrolytes and ion-exchange gels is presented first to provide the basis for a parallel consideration of the potentiometric properties exhibited by humic and fulvic acids. The treatment is then extended to account for functional site heterogeneity. Sample results are presented for analysis of the ion-binding reactions of a standard soil fulvic acid (Armadale Horizons Bh) with this approach to test its capability for anticipation of metal ion removal from solution. The ultimate refined model is shown to be adaptable, after appropriate consideration of the heterogeneity and polyelectrolyte factors, to programming already available for the consideration of ion binding by inorganics in natural waters. (orig.)

  3. Differences in soil solution chemistry between soils amended with nanosized CuO or Cu reference materials: implications for nanotoxicity tests.

    Science.gov (United States)

    McShane, Heather V A; Sunahara, Geoffrey I; Whalen, Joann K; Hendershot, William H

    2014-07-15

    Soil toxicity tests for metal oxide nanoparticles often include micrometer-sized oxide and metal salt treatments to distinguish between toxicity from nanometer-sized particles, non-nanometer-sized particles, and dissolved ions. Test result will be confounded if each chemical form has different effects on soil solution chemistry. We report on changes in soil solution chemistry over 56 days-the duration of some standard soil toxicity tests-in three soils amended with 500 mg/kg Cu as nanometer-sized CuO (nano), micrometer-sized CuO (micrometer), or Cu(NO3)2 (salt). In the CuO-amended soils, the log Cu2+ activity was initially low (minimum -9.48) and increased with time (maximum -5.20), whereas in the salt-amended soils it was initially high (maximum -4.80) and decreased with time (minimum -6.10). The Cu2+ activity in the nano-amended soils was higher than in the micrometer-amended soils for at least the first 11 days, and lower than in the salt-amended soils for at least 28 d. The pH, and dissolved Ca and Mg concentrations in the CuO-amended soils were similar, but the salt-amended soils had lower pH for at least 14 d, and higher Ca and Mg concentrations throughout the test. Soil pretreatments such as leaching and aging prior to toxicity tests are suggested.

  4. A comparison of amorphous calcium carbonate crystallization in aqueous solutions of MgCl2 and MgSO4: implications for paleo-ocean chemistry

    Science.gov (United States)

    Han, Mei; Zhao, Yanyang; Zhao, Hui; Han, Zuozhen; Yan, Huaxiao; Sun, Bin; Meng, Ruirui; Zhuang, Dingxiang; Li, Dan; Liu, Binwei

    2018-04-01

    Based on the terminology of "aragonite seas" and "calcite seas", whether different Mg sources could affect the mineralogy of carbonate sediments at the same Mg/Ca ratio was explored, which was expected to provide a qualitative assessment of the chemistry of the paleo-ocean. In this work, amorphous calcium carbonate (ACC) was prepared by direct precipitation in anhydrous ethanol and used as a precursor to study crystallization processes in MgSO4 and MgCl2 solutions having different concentrations at 60 °C (reaction times 240 and 2880 min). Based on the morphology of the aragonite crystals, as well as mineral saturation indices and kinetic analysis of geochemical processes, it was found that these crystals formed with a spherulitic texture in 4 steps. First, ACC crystallized into columnar Mg calcite by nearly oriented attachment. Second, the Mg calcite changed from columnar shapes into smooth dumbbell forms. Third, the Mg calcite transformed into rough dumbbell or cauliflower-shaped aragonite forms by local dissolution and precipitation. Finally, the aragonite transformed further into spherulitic radial and irregular aggregate forms. The increase in Ca2+ in the MgSO4 solutions compared with the MgCl2 solutions indicates the fast dissolution and slow precipitation of ACC in the former solutions. The phase transition was more complete in the 0.005 M MgCl2 solution, whereas Mg calcite crystallized from the 0.005 M MgSO4 solution, indicating that Mg calcite could be formed more easily in an MgSO4 solution. Based on these findings, aragonite and Mg calcite relative to ACC could be used to provide a qualitative assessment of the chemistry of the paleo-ocean. Therefore, calcite seas relative to high-Mg calcite could reflect a low concentration MgSO4 paleo-ocean, while aragonite seas could be related to an MgCl2 or high concentration of MgSO4 paleo-ocean.

  5. Role of Organic Solutes in the Chemistry Of Acid-Impacted Bog Waters of the Western Czech Republic

    Science.gov (United States)

    HrušKa, Jakub; Johnson, Chris E.; KráM, Pavel

    1996-04-01

    In many regions, naturally occurring organic acid anions can effectively buffer mineral acid inputs from atmospheric deposition, moderating their effect on surface water pH. We studied the effect of chronically high inputs of acid rain on the chemistry of three brown-water streams in the western Czech Republic. The dissolved organic acids in the streams were similar in character to those of other systems in Europe and North America. The site densities (the carboxyl group content per mass of C) were similar to values reported from Fenno-Scandia, and the relationship between the apparent pKa and pH conformed to those from two North American studies. Sulfate and organic acid anions (OA-) were the dominant anions in all three streams, yet despite high dissolved organic carbon and total organic acid concentrations, OA - comprised only 21-32% of total anion charge. This pattern was due to very high sulfate concentrations and, in two of the streams, a low degree of dissociation of the organic acids, probably the results of high long-term inputs of strong acids. Stream water pH was highly correlated to sulfate concentration, but uncorrelated with OA-, suggesting that free acidity is controlled by strong mineral acids rather than organic acids. Thus future reductions in strong acid inputs should result in increased pH and a return to organic control over acid-base chemistry.

  6. The chemistry of positronium. Part VI: inhibition and enhancement of positronium formation in aqueous solutions of halides, sulfide and thiocyanate

    International Nuclear Information System (INIS)

    Duplatre, G.; Abbe, J.C.; Maddock, A.G.; Haessler, A.

    1977-01-01

    The formation of positronium in aqueous solutions of halides, sulfide and thiocyanate has been investigated. Inhibiting and enhancing reactions of positronium formation are found. The results are discussed in terms of the spur model

  7. Time-dependent solution for axisymmetric flow over a blunt body with ideal gas, CF4, or equilibrium air chemistry

    Science.gov (United States)

    Hamilton, H. H., II; Spall, J. R.

    1986-01-01

    A time-asymptotic method has been used to obtain steady-flow solutions for axisymmetric inviscid flow over several blunt bodies including spheres, paraboloids, ellipsoids, and spherically blunted cones. Comparisons with experimental data and results of other computational methods have demonstrated that accurate solutions can be obtained using this approach. The method should prove useful as an analysis tool for comparing with experimental data and for making engineering calculations for blunt reentry vehicles.

  8. A feasibility study of the preparation of (U,Gd)3O8 solid solutions by thermal decomposition of co-precipitated carbonate mixtures

    International Nuclear Information System (INIS)

    Ravindran, P.V.; Rajagopalan, K.V.; Mathur, K.P.

    1998-01-01

    Co-precipitation from equimolar nitrate solutions of uranium (VI) and gadolinium has been used to obtain a mixture of (NH 4 ) 4 UO 2 (CO 3 ) 3 and Gd 2 (CO 3 ) 3 .3H 2 O at a pre-determined composition. Simultaneous measurements by TG, DTA and evolved gas analysis (EGA) showed that a calcination temperature of 700 C was necessary to decompose the carbonate completely to oxides. X-ray diffraction data indicated that a solid solution of Gd 2 O 3 in U 3 O 8 cannot be obtained by heating the carbonate mixtures up to 800 C in inert atmospheres. (orig.)

  9. Computational chemistry

    Science.gov (United States)

    Arnold, J. O.

    1987-01-01

    With the advent of supercomputers, modern computational chemistry algorithms and codes, a powerful tool was created to help fill NASA's continuing need for information on the properties of matter in hostile or unusual environments. Computational resources provided under the National Aerodynamics Simulator (NAS) program were a cornerstone for recent advancements in this field. Properties of gases, materials, and their interactions can be determined from solutions of the governing equations. In the case of gases, for example, radiative transition probabilites per particle, bond-dissociation energies, and rates of simple chemical reactions can be determined computationally as reliably as from experiment. The data are proving to be quite valuable in providing inputs to real-gas flow simulation codes used to compute aerothermodynamic loads on NASA's aeroassist orbital transfer vehicles and a host of problems related to the National Aerospace Plane Program. Although more approximate, similar solutions can be obtained for ensembles of atoms simulating small particles of materials with and without the presence of gases. Computational chemistry has application in studying catalysis, properties of polymers, all of interest to various NASA missions, including those previously mentioned. In addition to discussing these applications of computational chemistry within NASA, the governing equations and the need for supercomputers for their solution is outlined.

  10. Influence of indian mustard (Brassica juncea) on rhizosphere soil solution chemistry in long-term contaminated soils: a rhizobox study.

    Science.gov (United States)

    Kim, Kwon-Rae; Owens, Gary; Kwon, Soon-lk

    2010-01-01

    This study investigated the influence of Indian mustard (Brassica juncea) root exudation on soil solution properties (pH, dissolved organic carbon (DOC), metal solubility) in the rhizosphere using a rhizobox. Measurement was conducted following the cultivation of Indian mustard in the rhizobox filled four different types of heavy metal contaminated soils (two alkaline soils and two acidic soils). The growth of Indian mustard resulted in a significant increase (by 0.6 pH units) in rhizosphere soil solution pH of acidic soils and only a slight increase (soil solution varied considerably amongst different soils, resulting in significant changes to soil solution metals in the rhizosphere. For example, the soil solution Cd, Cu, Pb, and Zn concentrations increased in the rhizosphere of alkaline soils compared to bulk soil following plant cultivation. In contrast, the soluble concentrations of Cd, Pb, and Zn in acidic soils decreased in rhizosphere soil when compared to bulk soils. Besides the influence of pH and DOC on metal solubility, the increase of heavy metal concentration having high stability constant such as Cu and Pb resulted in a release of Cd and Zn from solid phase to liquid phase.

  11. Infrared multiphoton absorption and decomposition

    International Nuclear Information System (INIS)

    Evans, D.K.; McAlpine, R.D.

    1984-01-01

    The discovery of infrared laser induced multiphoton absorption (IRMPA) and decomposition (IRMPD) by Isenor and Richardson in 1971 generated a great deal of interest in these phenomena. This interest was increased with the discovery by Ambartzumian, Letokhov, Ryadbov and Chekalin that isotopically selective IRMPD was possible. One of the first speculations about these phenomena was that it might be possible to excite a particular mode of a molecule with the intense infrared laser beam and cause decomposition or chemical reaction by channels which do not predominate thermally, thus providing new synthetic routes for complex chemicals. The potential applications to isotope separation and novel chemistry stimulated efforts to understand the underlying physics and chemistry of these processes. At ICOMP I, in 1977 and at ICOMP II in 1980, several authors reviewed the current understandings of IRMPA and IRMPD as well as the particular aspect of isotope separation. There continues to be a great deal of effort into understanding IRMPA and IRMPD and we will briefly review some aspects of these efforts with particular emphasis on progress since ICOMP II. 31 references

  12. Effect of porosity and surface chemistry on the adsorption-desorption of uranium(VI) from aqueous solution and groundwater

    International Nuclear Information System (INIS)

    Yakout, S.M.

    2016-01-01

    Rice straw-based biochars modified with different chemical regents were used as an adsorbent for uranium(VI). Effect of pyrolysis temperature and nature of modifying agent's as well as surface chemistry, surface charge, and pore structure on U(VI) removal was investigated. Amount and nature of the surface groups has, in general, more influence than its porosity on U(VI) adsorption. The adsorption was maximum for the initial pH of 5.5. Rice straw derived biochars had comparable U(VI) adsorption as compared to other adsorbents. The U(VI) removal was 90 % from groundwater. NaHCO 3 was found to be the most efficient desorbent eluent for U(VI). (author)

  13. Radiation chemistry

    International Nuclear Information System (INIS)

    Rodgers, F.; Rodgers, M.A.

    1987-01-01

    The contents of this book include: Interaction of ionizing radiation with matter; Primary products in radiation chemistry; Theoretical aspects of radiation chemistry; Theories of the solvated electron; The radiation chemistry of gases; Radiation chemistry of colloidal aggregates; Radiation chemistry of the alkali halides; Radiation chemistry of polymers; Radiation chemistry of biopolymers; Radiation processing and sterilization; and Compound index

  14. The New Color of Chemistry: Green Chemistry

    Directory of Open Access Journals (Sweden)

    Zuhal GERÇEK

    2012-01-01

    Full Text Available Green chemistry which is the new application of chemistry rules provides solutions to problems that mankind is faced with climate changes, sustainable agriculture, energy, toxics, depletion of natural sources e.g. designing new chemicals and processes that production and utilization of hazardous matters. So, it is the indispensible tool for sustainable development. Current and future chemists should consider the human health and ecological issues in their professional life. In order to provide a solution for this requirement, green chemistry rules and under standings should be primarily taken in the university curriculum and at all educational levels.

  15. Solution chemistry of element 105. Pt. III. Hydrolysis and complex formation of Nb, Ta, Db and Pa in HF and HBr solutions

    International Nuclear Information System (INIS)

    Pershina, V.; Bastug, T.

    1999-01-01

    Calculations of the electronic structure of MF 6 - and MBr 6 - complexes of Nb, Ta, Pa and element 105, Db, formed in HF and HBr solutions have been performed using the Dirac-Slater Discrete Variational method. On the basis of results of these calculations, relative values of the free energy change of reactions of complex formation have been determined. The order of the complex formation for both acids is shown to be Pa >> Nb > Db > Ta. Such a sequence is defined by a predominant electrostatic energy of the metal-ligand interaction. The hydrolysis of compounds, as a reverse process, proved to change as Ta > Db > Nb >> Pa. Using the theory of metal extraction by anion exchange, the following trend in the extraction of the anionic species from both the HF and HBr aqueous solutions has been predicted: Pa >> Nb ≥ Db > Ta. The strength of the ML 6 - complexes is shown to decrease from MF 6 , to MCl 6 and further to MBr 6 - which is reflected by shifting the complex formation process to the area of higher acid concentrations. (orig.)

  16. Synthesis of specifically 15N- and 13C-labeled antitumor (2-Haloethyl)nitrosoureas. The study of their conformations in solution by nitrogen-15 and carbon-13 nuclear magnetic resonance and evidence for stereoelectronic control in their aqueous decomposition

    International Nuclear Information System (INIS)

    Lown, J.W.; Chauhan, S.M.S.

    1981-01-01

    The synthesis of certain specifically 15 N, 13 C, and 2 H isotope labeled 1-(2-chloroethyl)-3-alkyl-1-nitrosoureas (CENUs) is described. Spectroscopic examination of CENUs and their isotope-labeled counterparts by 1 H, 15 N, and 13 C NMR and infrared spectra indicates that they adopt preferred conformations in nonpolar aprotic solvents in which the NO group is aligned toward the 2-chloroethyl group. The result is in accord with the conformation of MeCCNU in the crystalline state derived from X-ray diffraction. The chemical shifts and coupling constants in the CENUs change with both solvent polarity and basicity. In aqueous phosphate buffer there is evidence for the formation of a tetrahedral intermediate, the conformation of which alters according to the reaction conditions and ultimately controls the formation of the aqueous decomposition products of CENUs. This is revealed most clearly by 13 C NMR of carbonyl- 13 C- and nitroso- 15 N-labeled BCNU and CCNU where two distinct 15 N-coupled 13 C doublets with different chemical shifts are observed. The rate of conformational change is comparable with the rate of decomposition of CENUs (via the second conformer) and may therefore represent the critical initial step of the latter process in vivo. The intermediacy of the postulated tetrahedral intermediates for CENUs is supported by observed 18 O exchange into the carbonyl group in 18 O-enriched water. Consideration of the conformations of the intermediates and of the alignment of the heteroatom lone pairs provides a satisfactory interpretation of the reactions of CENUs in aqueous solution as well as their pH dependence in terms of strict steroelectronic control and accounts for the formation of the observed products

  17. Adsorption of benzene and toluene from aqueous solutions onto activated carbon and its acid and heat treated forms: influence of surface chemistry on adsorption.

    Science.gov (United States)

    Wibowo, N; Setyadhi, L; Wibowo, D; Setiawan, J; Ismadji, S

    2007-07-19

    The influence of surface chemistry and solution pH on the adsorption of benzene and toluene on activated carbon and its acid and heat treated forms were studied. A commercial coal-based activated carbon F-400 was chosen as carbon parent. The carbon samples were obtained by modification of F-400 by means of chemical treatment with HNO3 and thermal treatment under nitrogen flow. The treatment with nitric acid caused the introduction of a significant number of oxygenated acidic surface groups onto the carbon surface, while the heat treatment increases the basicity of carbon. The pore characteristics were not significantly changed after these modifications. The dispersive interactions are the most important factor in this adsorption process. Activated carbon with low oxygenated acidic surface groups (F-400Tox) has the best adsorption capacity.

  18. ATMOSPHERIC CHEMISTRY FOR ASTROPHYSICISTS: A SELF-CONSISTENT FORMALISM AND ANALYTICAL SOLUTIONS FOR ARBITRARY C/O

    International Nuclear Information System (INIS)

    Heng, Kevin; Tsai, Shang-Min; Lyons, James R.

    2016-01-01

    We present a self-consistent formalism for computing and understanding the atmospheric chemistry of exoplanets from the viewpoint of an astrophysicist. Starting from the first law of thermodynamics, we demonstrate that the van’t Hoff equation (which describes the equilibrium constant), Arrhenius equation (which describes the rate coefficients), and procedures associated with the Gibbs free energy (minimization, rescaling) have a common physical and mathematical origin. We address an ambiguity associated with the equilibrium constant, which is used to relate the forward and reverse rate coefficients, and restate its two definitions. By necessity, one of the equilibrium constants must be dimensionless and equate to an exponential function involving the Gibbs free energy, while the other is a ratio of rate coefficients and must therefore possess physical units. We demonstrate that the Arrhenius equation takes on a functional form that is more general than previously stated without recourse to tagging on ad hoc functional forms. Finally, we derive analytical models of chemical systems, in equilibrium, with carbon, hydrogen, and oxygen. We include acetylene and are able to reproduce several key trends, versus temperature and carbon-to-oxygen ratio, published in the literature. The rich variety of behavior that mixing ratios exhibit as a function of the carbon-to-oxygen ratio is merely the outcome of stoichiometric book-keeping and not the direct consequence of temperature or pressure variations

  19. ATMOSPHERIC CHEMISTRY FOR ASTROPHYSICISTS: A SELF-CONSISTENT FORMALISM AND ANALYTICAL SOLUTIONS FOR ARBITRARY C/O

    Energy Technology Data Exchange (ETDEWEB)

    Heng, Kevin; Tsai, Shang-Min [University of Bern, Center for Space and Habitability, Sidlerstrasse 5, CH-3012, Bern (Switzerland); Lyons, James R., E-mail: kevin.heng@csh.unibe.ch [Arizona State University, School of Earth and Space Exploration, Bateman Physical Sciences, Tempe, AZ 85287-1404 (United States)

    2016-01-10

    We present a self-consistent formalism for computing and understanding the atmospheric chemistry of exoplanets from the viewpoint of an astrophysicist. Starting from the first law of thermodynamics, we demonstrate that the van’t Hoff equation (which describes the equilibrium constant), Arrhenius equation (which describes the rate coefficients), and procedures associated with the Gibbs free energy (minimization, rescaling) have a common physical and mathematical origin. We address an ambiguity associated with the equilibrium constant, which is used to relate the forward and reverse rate coefficients, and restate its two definitions. By necessity, one of the equilibrium constants must be dimensionless and equate to an exponential function involving the Gibbs free energy, while the other is a ratio of rate coefficients and must therefore possess physical units. We demonstrate that the Arrhenius equation takes on a functional form that is more general than previously stated without recourse to tagging on ad hoc functional forms. Finally, we derive analytical models of chemical systems, in equilibrium, with carbon, hydrogen, and oxygen. We include acetylene and are able to reproduce several key trends, versus temperature and carbon-to-oxygen ratio, published in the literature. The rich variety of behavior that mixing ratios exhibit as a function of the carbon-to-oxygen ratio is merely the outcome of stoichiometric book-keeping and not the direct consequence of temperature or pressure variations.

  20. Effect of Non-Stoichiometric Solution Chemistry on Improving the Performance of Wide-Bandgap Perovskite Solar Cells

    Energy Technology Data Exchange (ETDEWEB)

    Zhu, Kai [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Yang, Mengjin [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Kim, Donghoe [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Li, Zhen [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Reid, Obadiah G [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Yu, Yue [University of Toledo; Song, Zhaoning [University of Toledo; Zhao, Dewei [University of Toledo; Wang, Changlei [University of Toledo; Li, Liwei [ENN Energy Research Institute; ENN Solar Energy Co., Ltd.; Meng, Yuan [ENN Energy Research Institute; ENN Solar Energy Co., Ltd.; Guo, Ted [ENN Energy Research Institute; ENN Solar Energy Co., Ltd.; Yan, Yanfa [University of Toledo

    2017-10-18

    A high-efficiency wide-bandgap (WBG) perovskite solar cell is critical for developing perovskite-related (e.g., all-perovskite, perovskite/Si, or perovskite/Cu(In,Ga)Se2) tandem devices. Here, we demonstrate the use of non-stoichiometric precursor chemistry with excess methylammonium halides (MAX; X = I, Br, or Cl) for preparing high-quality ~1.75-eV FA0.83Cs0.17Pb(I0.6Br0.4)3 perovskite solar cells. Among various methylammonium halides, using excess MABr in the non-stoichiometric precursor exhibits the strongest effect on improving perovskite crystallographic properties and device characteristics without affecting the perovskite composition. In contrast, using excess MAI significantly reduces the bandgap of perovskite due to the replacement of Br with I. Using 40% excess MABr, we demonstrate a single-junction WBG perovskite solar cell with stabilized efficiency of 16.4%. We further demonstrate a 20.3%-efficient 4-terminal tandem device by using a 14.7%-efficient semi-transparent WBG perovskite top cell and an 18.6%-efficient unfiltered (5.6%-efficient filtered) Si bottom cell.

  1. Stepwise adsorption of phenanthrene at the fly ash-water interface as affected by solution chemistry: experimental and modeling studies.

    Science.gov (United States)

    An, Chunjiang; Huang, Guohe

    2012-11-20

    Fly ash (FA) is predominantly generated from coal-fired power plants. Contamination during disposal of FA can cause significant environmental problems. Knowledge about the interaction of FA and hydrophobic organic pollutants in the environment is very limited. This study investigated the adsorption of phenanthrene at the interface of FA and water. The performance of phenanthrene adsorption on FA and the effects of various aqueous chemistry conditions were evaluated. The adsorption isotherms exhibited an increasing trend in the adsorbed amounts of phenanthrene, while a stepwise pattern was apparent. A stepwise multisite Langmuir model was developed to simulate the stepwise adsorption process. The adsorption of phenanthrene onto FA was noted to be spontaneous at all temperatures. The thermodynamic results indicated that the adsorption was an exothermic process. The adsorption capacity gradually decreased as pH increased from 4 to 8; however, this trend became less significant when pH was changed from 8 to 10. The binding affinity of phenanthrene to FA increased after the addition of humic acid (HA). The pH variation was also responsible for the changes of phenanthrene adsorption on FA in the presence of HA. High ionic strength corresponded to low mobility of phenanthrene in the FA-water system. Results of this study can help reveal the migration patterns of organic contaminants in the FA-water system and facilitate environmental risk assessment at FA disposal sites.

  2. Impact of an Alkaline Solution on the Chemistry, Mineralogy, and Sorption Properties of a Typic Rhodudult Soil

    Directory of Open Access Journals (Sweden)

    Jaqueline Alves de Almeida Calábria

    2017-11-01

    Full Text Available Abstract The preferred option for disposal of short-lived low and intermediate level radioactive wastes is a near surface disposal facility in which soil is one of the barriers that avoid radionuclide migration outside the controlled area. For construction of that kind of facility, concrete is widely used, and its interaction with water induces its degradation, resulting in a high pH solution. The alkaline solution may affect the near-field environment of radioactive waste repositories, including the soil, promoting mineralogical alterations that result in significant changes in key properties of materials, compromising their performance as safety components. In this study, a sample of a Brazilian Typic Rhodudult soil, previously investigated concerning its performance for Cs sorption, was subjected to interaction with the alkaline solution for 24 h and for 7, 14, and 28 days in order to evaluate the impact on its chemical, mineralogical, and sorption properties. X-ray diffraction (XRD, energy dispersive X-ray spectroscopy (EDX, atomic absorption spectrometry (AAS, scanning electron microscopy (SEM, and electron microprobe analysis were performed before and after each alteration period. Results indicated dissolution of minerals, such as kaolinite and quartz, associated with incorporation of K and Ca from the alkaline solution, likely resulting in the formation of hydrated calcium silicate phases (CSH, which are expected to be worse sorbents for alkaline elements (e.g., Cs than the original minerals. The Kd values for Cs in the altered samples also decreased according to the alteration period, demonstrating that alkaline interaction effectively modifies the soil sorption properties for Cs.

  3. A Designer Fluid for Aluminum Phase Change Devices, Vol. 1 of 3: General Inorganic Aqueous Solution (IAS) Chemistry

    Science.gov (United States)

    2016-11-17

    out in wicked phase change heat transfer devices. Wen [18] used nanoparticle suspensions to successfully increase the boiling heat transfer...Aqueous Solution of an Anionic Surfactant,” Journal of Heat Transfer 122, No. 4: 708. [18] Wen , D. and Ding, Y., 2005, “Experimental Investigation...Li, Y., 1974, “Diffusion of Ions in Sea Water and in Deep -Sea Sediments,” Geochimica et Cosmochimica Acta, Vol. 88, pp. 703-714. [36] Negishi, K

  4. Natural spatial and temporal variations in groundwater chemistry in fractured, sedimentary rocks: scale and implications for solute transport

    International Nuclear Information System (INIS)

    Hoven, Stephen J. van der; Kip Solomon, D.; Moline, Gerilynn R.

    2005-01-01

    Natural tracers (major ions, δ 18 O, and O 2 ) were monitored to evaluate groundwater flow and transport to a depth of 20 m below the surface in fractured sedimentary (primarily shale and limestone) rocks. Large temporal variations in these tracers were noted in the soil zone and the saprolite, and are driven primarily by individual storm events. During nonstorm periods, an upward flow brings water with high TDS, constant δ 18 O, and low dissolved O 2 to the water table. During storm events, low TDS, variable δ 18 O, and high dissolved O 2 water recharges through the unsaturated zone. These oscillating signals are rapidly transmitted along fracture pathways in the saprolite, with changes occurring on spatial scales of several meters and on a time scale of hours. The variations decreased markedly below the boundary between the saprolite and less weathered bedrock. Variations in the bedrock units occurred on time scales of days and spatial scales of at least 20 m. The oscillations of chemical conditions in the shallow groundwater are hypothesized to have significant implications for solute transport. Solutes and colloids that adsorb onto aquifer solids can be released into solution by decreases in ionic strength and pH. The decreases in ionic strength also cause thermodynamic undersaturation of the groundwater with respect to some mineral species and may result in mineral dissolution. Redox conditions are also changing and may result in mineral dissolution/precipitation. The net result of these chemical variations is episodic transport of a wide range of dissolved solutes or suspended particles, a phenomenon rarely considered in contaminant transport studies

  5. AECL research programs in chemistry

    International Nuclear Information System (INIS)

    Crocker, I.H.; Eastwood, T.A.; Smith, D.R.; Stewart, R.B.; Tomlinson, M.; Torgerson, D.F.

    1980-09-01

    Fundamental or underlying research in chemistry is being done in AECL laboratories to further the understanding of processes involved in current nuclear energy systems and maintain an awareness of progress at the frontiers of chemical research so that new advances can be turned to advantage in future AECL endeavours. The report introduces the current research topics and describes them briefly under the following headings: radiation chemistry, isotope separation, high temperature solution chemistry, fuel reprocessing chemistry, and analytical chemistry. (auth)

  6. At the crossroad of photochemistry and radiation chemistry: formation of hydroxyl radicals in diluted aqueous solutions exposed to ultraviolet radiation

    Czech Academy of Sciences Publication Activity Database

    Tomanová, K.; Přeček, Martin; Múčka, V.; Vyšín, Luděk; Juha, Libor; Čuba, V.

    2017-01-01

    Roč. 19, č. 43 (2017), s. 29402-29408 ISSN 1463-9076 R&D Projects: GA MŠk EF15_008/0000162; GA MŠk LQ1606; GA ČR GA17-06479S; GA ČR GA13-28721S Grant - others:ELI Beamlines(XE) CZ.02.1.01/0.0/0.0/15_008/0000162 Institutional support: RVO:68378271 Keywords : UV photolysis * water * aqueous solutions * quantum yields * OH radicals Subject RIV: BL - Plasma and Gas Discharge Physics OBOR OECD: Fluids and plasma physics (including surface physics ) Impact factor: 4.123, year: 2016

  7. Generalized decompositions of dynamic systems and vector Lyapunov functions

    Science.gov (United States)

    Ikeda, M.; Siljak, D. D.

    1981-10-01

    The notion of decomposition is generalized to provide more freedom in constructing vector Lyapunov functions for stability analysis of nonlinear dynamic systems. A generalized decomposition is defined as a disjoint decomposition of a system which is obtained by expanding the state-space of a given system. An inclusion principle is formulated for the solutions of the expansion to include the solutions of the original system, so that stability of the expansion implies stability of the original system. Stability of the expansion can then be established by standard disjoint decompositions and vector Lyapunov functions. The applicability of the new approach is demonstrated using the Lotka-Volterra equations.

  8. The radiation induced chemistry of uranyl cation in aqueous carbonate –bicarbonate solutions as followed by NMR spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    McNamara, Bruce K.; Snow, Lanee A.; Soderquist, Chuck Z.; Sinkov, Sergei I.; Cho, Herman M.; Friese, Judah I.

    2006-05-01

    Alpha radiation induced formation of hydrogen peroxide in carbonate ?bicarbonate media was followed by 13C NMR using dissolved [233UO2(13CO3)3]4- as the alpha source (Dalpha= 12.1 Gy/hr). Between the pH region between 5.9 and 11.6 hydrogen peroxide causes a varied speciation of the uranyl carbonates that is a function of the uranium, carbonate and the hydrogen peroxide concentrations. It is shown that the speciation of the peroxy carbonates (or other species) formed in solution by titration with hydrogen peroxide are common to those formed by hydrogen peroxide generated by radiolysis. The radiolysis experiment was carried out above pH = 9.96 to minimize the loss of 13CO2 over a 2800 hr period. Radiolytic generation of hydrogen peroxide was followed by formation of a uranyl peroxy carbonate complex and complex formation accelerated for about 1200 hours. Complex formation was observed to terminate at a concentration between 1x10-4 and 5x10-4 M. It is assumed that either a steady state H2O2 production rate was established in solution or that some limiting feature of the experiment was responsible for slowing the yield of product.

  9. Interactive effects of soil acidity and fluoride on soil solution aluminium chemistry and barley (Hordeum vulgare L.) root growth

    International Nuclear Information System (INIS)

    Manoharan, V.; Loganathan, P.; Tillman, R.W.; Parfitt, R.L.

    2007-01-01

    A greenhouse study was conducted to determine if concentrations of fluoride (F), which would be added to acid soils via P fertilisers, were detrimental to barley root growth. Increasing rates of F additions to soil significantly increased the soil solution concentrations of aluminium (Al) and F irrespective of the initial adjusted soil pH, which ranged from 4.25 to 5.48. High rates of F addition severely restricted root growth; the effect was more pronounced in the strongly acidic soil. Speciation calculations demonstrated that increasing rates of F additions substantially increased the concentrations of Al-F complexes in the soil. Stepwise regression analysis showed that it was the combination of the activities of AlF 2 1+ and AlF 2+ complexes that primarily controlled barley root growth. The results suggested that continuous input of F to soils, and increased soil acidification, may become an F risk issue in the future. - Addition of high rates of fluoride to strongly acidic soils can reduce barley root growth due to the toxicity of aluminium-fluoride complexes formed in soil solution

  10. Role of solution chemistry on the trapping of radionuclide Th(IV) using titanate nanotubes as an efficient adsorbent

    International Nuclear Information System (INIS)

    Guodong Sheng; Chinese Academy of Sciences, Hefei; Baowei Hu

    2013-01-01

    Titanate nanotubes (TNTs) have attracted great interest in multidisciplinary study since their discovery. The adsorption of thorium [Th(IV)] onto TNTs in the absence and presence of humic acid (HA)/fulvic acid (FA) was studied by batch technique. The influence of pH from 2.0 to 10.0, ionic strength from 0.001 to 0.1 mol L -1 NaClO 4 , and coexisting electrolyte cations (Li + , Na + , K + ) and anions (ClO 4 - , NO 3 - , Cl - ) on the adsorption of Th(IV) onto TNTs was tested. The adsorption isotherms of Th(IV) was determined at pH 3.0 and analyzed with Langmuir and Freundlich adsorption models, respectively. The results demonstrated that the adsorption of Th(IV) onto TNTs increases steeply with increasing pH from 2.0 to 4.0. Generally, HA/FA was showed to enhance Th(IV) adsorption onto TNTs at low pH values, but to reduce Th(IV) adsorption onto TNTs at high pH values. The adsorption of Th(IV) onto TNTs was also dependent on coexisting electrolyte ions in aqueous solution under our experimental conditions. The adsorption of Th(IV) onto TNTs is exothermic and spontaneous. The findings indicating that TNTs can be used as a promising candidate for the enrichment and solidification of Th(IV) or its analogue actinides from large volume solution in real work. (author)

  11. Oxidizing dissolution of spent MOX47 fuel subjected to water radiolysis: Solution chemistry and surface characterization by Raman spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Jegou, C., E-mail: christophe.jegou@cea.f [Commissariat a l' Energie Atomique (CEA), Marcoule Reasearch Center, B.P. 17171, F-30207 Bagnols-sur-Ceze Cedex (France); Caraballo, R.; De Bonfils, J.; Broudic, V.; Peuget, S. [Commissariat a l' Energie Atomique (CEA), Marcoule Reasearch Center, B.P. 17171, F-30207 Bagnols-sur-Ceze Cedex (France); Vercouter, T. [Commissariat a l' Energie Atomique (CEA), Saclay Reasearch Center, B.P. 11, F-91191 Gif-sur-Yvette Cedex (France); Roudil, D. [Commissariat a l' Energie Atomique (CEA), Marcoule Reasearch Center, B.P. 17171, F-30207 Bagnols-sur-Ceze Cedex (France)

    2010-04-01

    The mechanisms of oxidizing dissolution of spent MOX fuel (MIMAS TU2 (registered) ) subjected to water radiolysis were investigated experimentally by leaching spent MOX47 fuel samples in pure water at 25 deg. C under different oxidizing conditions (with and without external gamma irradiation); the leached surfaces were characterized by Raman spectroscopy. The highly oxidizing conditions resulting from external gamma irradiation significantly increased the concentration of plutonium (Pu(V)) and uranium (U(VI)) compared with a benchmark experiment (without external irradiation). The oxidation behavior of the plutonium-enriched aggregates differed significantly from that of the UO{sub 2} matrix after several months of leaching in water under gamma irradiation. The plutonium in the aggregates appears to limit fuel oxidation. The only secondary phases formed and identified to date by Raman spectroscopy are uranium peroxides that generally precipitate on the surface of the UO{sub 2} grains. Concerning the behavior of plutonium, solution analysis results appear to be compatible with a conventional explanation based on an equilibrium with a Pu(OH){sub 4(am)} phase. The fission product release - considered as a general indicator of matrix alteration - from MOX47 fuel also increases under external gamma irradiation and a change in the leaching mode is observed. Diffusive leaching was clearly identified, coinciding with the rapid onset of steady-state actinide concentrations in the bulk solution.

  12. A review of plutonium oxalate decomposition reactions and effects of decomposition temperature on the surface area of the plutonium dioxide product

    Science.gov (United States)

    Orr, R. M.; Sims, H. E.; Taylor, R. J.

    2015-10-01

    Plutonium (IV) and (III) ions in nitric acid solution readily form insoluble precipitates with oxalic acid. The plutonium oxalates are then easily thermally decomposed to form plutonium dioxide powder. This simple process forms the basis of current industrial conversion or 'finishing' processes that are used in commercial scale reprocessing plants. It is also widely used in analytical or laboratory scale operations and for waste residues treatment. However, the mechanisms of the thermal decompositions in both air and inert atmospheres have been the subject of various studies over several decades. The nature of intermediate phases is of fundamental interest whilst understanding the evolution of gases at different temperatures is relevant to process control. The thermal decomposition is also used to control a number of powder properties of the PuO2 product that are important to either long term storage or mixed oxide fuel manufacturing. These properties are the surface area, residual carbon impurities and adsorbed volatile species whereas the morphology and particle size distribution are functions of the precipitation process. Available data and experience regarding the thermal and radiation-induced decompositions of plutonium oxalate to oxide are reviewed. The mechanisms of the thermal decompositions are considered with a particular focus on the likely redox chemistry involved. Also, whilst it is well known that the surface area is dependent on calcination temperature, there is a wide variation in the published data and so new correlations have been derived. Better understanding of plutonium (III) and (IV) oxalate decompositions will assist the development of more proliferation resistant actinide co-conversion processes that are needed for advanced reprocessing in future closed nuclear fuel cycles.

  13. Variance decomposition in stochastic simulators.

    Science.gov (United States)

    Le Maître, O P; Knio, O M; Moraes, A

    2015-06-28

    This work aims at the development of a mathematical and computational approach that enables quantification of the inherent sources of stochasticity and of the corresponding sensitivities in stochastic simulations of chemical reaction networks. The approach is based on reformulating the system dynamics as being generated by independent standardized Poisson processes. This reformulation affords a straightforward identification of individual realizations for the stochastic dynamics of each reaction channel, and consequently a quantitative characterization of the inherent sources of stochasticity in the system. By relying on the Sobol-Hoeffding decomposition, the reformulation enables us to perform an orthogonal decomposition of the solution variance. Thus, by judiciously exploiting the inherent stochasticity of the system, one is able to quantify the variance-based sensitivities associated with individual reaction channels, as well as the importance of channel interactions. Implementation of the algorithms is illustrated in light of simulations of simplified systems, including the birth-death, Schlögl, and Michaelis-Menten models.

  14. Variance decomposition in stochastic simulators

    Science.gov (United States)

    Le Maître, O. P.; Knio, O. M.; Moraes, A.

    2015-06-01

    This work aims at the development of a mathematical and computational approach that enables quantification of the inherent sources of stochasticity and of the corresponding sensitivities in stochastic simulations of chemical reaction networks. The approach is based on reformulating the system dynamics as being generated by independent standardized Poisson processes. This reformulation affords a straightforward identification of individual realizations for the stochastic dynamics of each reaction channel, and consequently a quantitative characterization of the inherent sources of stochasticity in the system. By relying on the Sobol-Hoeffding decomposition, the reformulation enables us to perform an orthogonal decomposition of the solution variance. Thus, by judiciously exploiting the inherent stochasticity of the system, one is able to quantify the variance-based sensitivities associated with individual reaction channels, as well as the importance of channel interactions. Implementation of the algorithms is illustrated in light of simulations of simplified systems, including the birth-death, Schlögl, and Michaelis-Menten models.

  15. Variance decomposition in stochastic simulators

    Energy Technology Data Exchange (ETDEWEB)

    Le Maître, O. P., E-mail: olm@limsi.fr [LIMSI-CNRS, UPR 3251, Orsay (France); Knio, O. M., E-mail: knio@duke.edu [Department of Mechanical Engineering and Materials Science, Duke University, Durham, North Carolina 27708 (United States); Moraes, A., E-mail: alvaro.moraesgutierrez@kaust.edu.sa [King Abdullah University of Science and Technology, Thuwal (Saudi Arabia)

    2015-06-28

    This work aims at the development of a mathematical and computational approach that enables quantification of the inherent sources of stochasticity and of the corresponding sensitivities in stochastic simulations of chemical reaction networks. The approach is based on reformulating the system dynamics as being generated by independent standardized Poisson processes. This reformulation affords a straightforward identification of individual realizations for the stochastic dynamics of each reaction channel, and consequently a quantitative characterization of the inherent sources of stochasticity in the system. By relying on the Sobol-Hoeffding decomposition, the reformulation enables us to perform an orthogonal decomposition of the solution variance. Thus, by judiciously exploiting the inherent stochasticity of the system, one is able to quantify the variance-based sensitivities associated with individual reaction channels, as well as the importance of channel interactions. Implementation of the algorithms is illustrated in light of simulations of simplified systems, including the birth-death, Schlögl, and Michaelis-Menten models.

  16. Variance decomposition in stochastic simulators

    KAUST Repository

    Le Maî tre, O. P.; Knio, O. M.; Moraes, Alvaro

    2015-01-01

    This work aims at the development of a mathematical and computational approach that enables quantification of the inherent sources of stochasticity and of the corresponding sensitivities in stochastic simulations of chemical reaction networks. The approach is based on reformulating the system dynamics as being generated by independent standardized Poisson processes. This reformulation affords a straightforward identification of individual realizations for the stochastic dynamics of each reaction channel, and consequently a quantitative characterization of the inherent sources of stochasticity in the system. By relying on the Sobol-Hoeffding decomposition, the reformulation enables us to perform an orthogonal decomposition of the solution variance. Thus, by judiciously exploiting the inherent stochasticity of the system, one is able to quantify the variance-based sensitivities associated with individual reaction channels, as well as the importance of channel interactions. Implementation of the algorithms is illustrated in light of simulations of simplified systems, including the birth-death, Schlögl, and Michaelis-Menten models.

  17. Radiolytic decomposition of 4-bromodiphenyl ether

    International Nuclear Information System (INIS)

    Tang Liang; Xu Gang; Wu Wenjing; Shi Wenyan; Liu Ning; Bai Yulei; Wu Minghong

    2010-01-01

    Polybrominated diphenyl ethers (PBDEs) spread widely in the environment are mainly removed by photochemical and anaerobic microbial degradation. In this paper, the decomposition of 4-bromodiphenyl ether (BDE -3), the PBDEs homologues, is investigated by electron beam irradiation of its ethanol/water solution (reduction system) and acetonitrile/water solution (oxidation system). The radiolytic products were determined by GC coupled with electron capture detector, and the reaction rate constant of e sol - in the reduction system was measured at 2.7 x 10 10 L · mol -1 · s -1 by pulsed radiolysis. The results show that the BDE-3 concentration affects strongly the decomposition ratio in the alkali solution, and the reduction system has a higher BDE-3 decomposition rate than the oxidation system. This indicates that the BDE-3 was reduced by effectively capturing e sol - in radiolytic process. (authors)

  18. The impact of new cathode materials relative to baseline performance of microbial fuel cells all with the same architecture and solution chemistry

    KAUST Repository

    Yang, Wulin

    2017-04-21

    Differences in microbial fuel cell (MFC) architectures, materials, and solution chemistries, have previously hindered direct comparisons of improvements in power production due to new cathode materials. However, one common reactor design has now been used in many different laboratories around the world under similar operating conditions based on using: a graphite fiber brush anode, a platinum cathode catalyst, a single-chamber cube-shaped (4-cm) MFC with a 3-cm diameter anolyte chamber, 50 mM phosphate buffer, and an acetate fuel. Analysis of several publications over 10 years from a single laboratory showed that even under such identical operational conditions, maximum power densities varied by 15%, with an average of 1.36 ± 0.20 W m–2 (n=24), normalized to cathode projected area (34 W m–3 liquid volume). In other laboratories, maximum power was significantly less, with an average of 1.03 ± 0.46 W m–2 (n=11), despite identical conditions. One likely reason for the differences in power is cathode age. Power production with Pt catalyst cathodes significantly declined after one month of operation or more to 0.87 ± 0.31 W m–2 (n=18) based on studies where cathode aging was examined, while in many studies the age of the cathode was not reported. Using these studies as a performance baseline, we review the claims of improvements in power generation due to new anode or cathode materials, or changes in solution conductivities and substrates.

  19. Spectral Decomposition Algorithm (SDA)

    Data.gov (United States)

    National Aeronautics and Space Administration — Spectral Decomposition Algorithm (SDA) is an unsupervised feature extraction technique similar to PCA that was developed to better distinguish spectral features in...

  20. Thermal decomposition of pyrite

    International Nuclear Information System (INIS)

    Music, S.; Ristic, M.; Popovic, S.

    1992-01-01

    Thermal decomposition of natural pyrite (cubic, FeS 2 ) has been investigated using X-ray diffraction and 57 Fe Moessbauer spectroscopy. X-ray diffraction analysis of pyrite ore from different sources showed the presence of associated minerals, such as quartz, szomolnokite, stilbite or stellerite, micas and hematite. Hematite, maghemite and pyrrhotite were detected as thermal decomposition products of natural pyrite. The phase composition of the thermal decomposition products depends on the terature, time of heating and starting size of pyrite chrystals. Hematite is the end product of the thermal decomposition of natural pyrite. (author) 24 refs.; 6 figs.; 2 tabs

  1. Report on achievements in fiscal 1984 on research and development commissioned from Sunshine Project. Research and development of water decomposition using the mixed cycle of thermo-chemistry, photo-chemistry, and electro-chemistry; 1984 nendo netsu kagaku, hikari kagaku, denki kagaku konsei cycle ni yoru suibunkai no kenkyu kaihatsu seika hokokusho

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1985-03-01

    Researches have been performed on water decomposition by multiplex utilization of solar beam, and the achievements in fiscal 1984 were reported. In fiscal 1984, activity coefficients for iron ions and iodide ions having been discussed by the previous fiscal year were derived, and free energy variation amount and accumulated energy amount generated as a result of photo-chemical reactions were derived. Values derived in the experiment were low, which are the values at room temperatures, and higher values are expected under elevated temperatures. In an experiment using a beam irradiation electrolytic tank, investigations were made on thermo-chemical isolation and electrolytic isolation of HI. Since HI is strongly acidic, it does not get liberated unless phosphoric acid concentration and temperature are increased, which is a condition opposing to easiness of the photo-chemical reaction. Therefore, an experiment on HI was performed not only on isolation due to heat, but also isolation by electrolysis, where the intended result was obtained. The mixed system of a photo-chemical system and an electrolytic system requires a system configuration that considers dynamic matching conditions, for which a system to perform measurements simultaneously on a large number of kinds was found effective. (NEDO)

  2. Detailed Chemical Kinetic Modeling of Hydrazine Decomposition

    Science.gov (United States)

    Meagher, Nancy E.; Bates, Kami R.

    2000-01-01

    The purpose of this research project is to develop and validate a detailed chemical kinetic mechanism for gas-phase hydrazine decomposition. Hydrazine is used extensively in aerospace propulsion, and although liquid hydrazine is not considered detonable, many fuel handling systems create multiphase mixtures of fuels and fuel vapors during their operation. Therefore, a thorough knowledge of the decomposition chemistry of hydrazine under a variety of conditions can be of value in assessing potential operational hazards in hydrazine fuel systems. To gain such knowledge, a reasonable starting point is the development and validation of a detailed chemical kinetic mechanism for gas-phase hydrazine decomposition. A reasonably complete mechanism was published in 1996, however, many of the elementary steps included had outdated rate expressions and a thorough investigation of the behavior of the mechanism under a variety of conditions was not presented. The current work has included substantial revision of the previously published mechanism, along with a more extensive examination of the decomposition behavior of hydrazine. An attempt to validate the mechanism against the limited experimental data available has been made and was moderately successful. Further computational and experimental research into the chemistry of this fuel needs to be completed.

  3. Model for diffusion and porewater chemistry in compacted bentonite. Theoretical basis and the solution methodology for the transport model

    International Nuclear Information System (INIS)

    Lehikoinen, J.

    1997-01-01

    This report describes the progress of the computer model for ionic transport in bentonite. The research is part of the project Microstructural and chemical parameters of bentonite as determinants of waste isolation efficiency within the Nuclear fission safety program organized by The Commission of the European Communities. The study was started by collecting a comprehensive body of available data on space-charge transport modelling and creating a conceptualization of the problem at hand. The numerical discretization of the governing equations by finite differences was also initiated. This report introduces the theoretical basis for the model, somewhat more elaborated than presented in Progress Report 1/1996, and rectifies a few mistakes appearing in that report. It also gives a brief introduction to the solution methodology of the disc retized governing equations. (orig.) (12 refs.)

  4. Interactive effects of soil acidity and fluoride on soil solution aluminium chemistry and barley (Hordeum vulgare L.) root growth.

    Science.gov (United States)

    Manoharan, V; Loganathan, P; Tillman, R W; Parfitt, R L

    2007-02-01

    A greenhouse study was conducted to determine if concentrations of fluoride (F), which would be added to acid soils via P fertilisers, were detrimental to barley root growth. Increasing rates of F additions to soil significantly increased the soil solution concentrations of aluminium (Al) and F irrespective of the initial adjusted soil pH, which ranged from 4.25 to 5.48. High rates of F addition severely restricted root growth; the effect was more pronounced in the strongly acidic soil. Speciation calculations demonstrated that increasing rates of F additions substantially increased the concentrations of Al-F complexes in the soil. Stepwise regression analysis showed that it was the combination of the activities of AlF2(1+) and AlF(2+) complexes that primarily controlled barley root growth. The results suggested that continuous input of F to soils, and increased soil acidification, may become an F risk issue in the future.

  5. Chemistry in Microfluidic Channels

    Science.gov (United States)

    Chia, Matthew C.; Sweeney, Christina M.; Odom, Teri W.

    2011-01-01

    General chemistry introduces principles such as acid-base chemistry, mixing, and precipitation that are usually demonstrated in bulk solutions. In this laboratory experiment, we describe how chemical reactions can be performed in a microfluidic channel to show advanced concepts such as laminar fluid flow and controlled precipitation. Three sets of…

  6. Chemistry of americium

    Energy Technology Data Exchange (ETDEWEB)

    Schulz, W.W.

    1976-01-01

    Essential features of the descriptive chemistry of americium are reviewed. Chapter titles are: discovery, atomic and nuclear properties, collateral reading, production and uses, chemistry in aqueous solution, metal, alloys, and compounds, and, recovery, separation, purification. Author and subject indexes are included. (JCB)

  7. Uranium (VI) chemistry at the interface solution/minerals (quartz and aluminium hydroxide): experiments and spectroscopic investigations of the uranyl surface species

    International Nuclear Information System (INIS)

    Froideval, A.

    2004-09-01

    This study deals with the understanding of the uranyl chemistry at the 0.1 M NaNO 3 solution/mineral (quartz and aluminium hydroxide) interface. The aims are:(i) to identify and to characterize the different uranyl surface species (mononuclear, polynuclear complexes and/or precipitates...), i.e. the coordination environments of sorbed/precipitated uranyl ions, by using X-ray photoelectron spectroscopy (XPS), extended X-ray absorption fine structure (EXAFS) and time-resolved laser-induced fluorescence spectroscopy (TRLFS), and;(ii) to investigate the influence of pH, initial uranyl aqueous concentration and hydroxyl ligand concentration on the uranyl surface speciation. Our study on the speciation of uranyl ions at the quartz surface (i) confirms the formation of uranyl polynuclear/oligomers on quartz from moderate (1 μmol/m 2 ) to high (26 μmol/m 2 ) uranyl surface concentrations and (ii) show that theses polynuclear species coexist with uranyl mononuclear surface species over a pH range ≅ 5-8.5 and a wide range of initial uranyl concentration o f the solutions (10-100 μM). The uranyl concentration of these surface species depends on pH and on the initial uranyl aqueous concentration. Hydrate (surface-) precipitates and/or adsorbed polynuclear species and monomeric uranyl surface complexes are formed on aluminium hydroxide. Uranyl mononuclear complexes are predominant at acidic pH, as well as uranyl in solution or on the surface. Besides mononuclear species, precipitates and/or adsorbed polynuclear species are predominantly formed at neutral pH values on aluminium hydroxide. A main contribution of our investigations is that precipitation and/or adsorption of polynuclear species seem to occur at low uranyl surface concentrations (0.01-0.4 μmol/m 2 ). The uranyl surface speciation is mainly dependent on the pH and the aluminol ligand concentration. (author)

  8. Experimental determination of contaminant metal mobility as a function of temperature, time and solution chemistry. 1997 annual progress report

    International Nuclear Information System (INIS)

    Bruton, C.; Carroll, S.; O'Day, P.; Sahai, N.

    1997-01-01

    'Strontium is significantly more mobile than other hazardous radioactive metals. Its partitioning between aqueous and solid phases is controlled by reactions that occur at the interface between natural waters and minerals. At a groundwater site in Hanford (200-BP-5), the aerial extent of the 90 Sr plume is 100 times larger than the aerial extent of the 137 Cs and the 239 Pu plumes. Similarly, contaminated, perched watertables at INEL have much higher aqueous concentrations of 90 Sr than 137 Cs, presumably because Cs is preferentially sorbed to solids (Duncan 1995). Under high physical flow conditions, such as those in the highly fractured rock at Hanford and INEL, 90 Sr present in plumes may spread off-site and cause contamination of aquifers or other water sources. Geochemical factors that may contribute to the overall mobility of Sr in natural waters are the solubilities of phases such as strontianite (SrCO 3 ) and formation of strong complexes with sulfate and nitrate. Although 90 Sr is mobilized in natural waters in these examples, significant concentrations may also be present in solid phases. Sorption experiments using a wide variety of substrates at room temperature have shown that Sr is removed from solution under certain conditions. Additionally, strontianite (SrCO 3 ) may precipitate at low Sr concentrations in the pH range of waters in contact with basaltic rocks, which varies between pH 8 and 10. Waters contain variable amounts of carbonate owing to atmospheric interactions; the partial pressure of CO 2 is about 10 x 3.5 atm in air and commonly as high as 10 x 2.5 atm in soils. The objective of this work is to determine the fundamental data needed to predict the behavior of strontium at temperature and time scales appropriate to thermal remediation. The authors approach combines macroscopic sorption/precipitation and desorption/dissolution kinetic experiments, which track changes in solution composition, with direct molecular characterization of

  9. Effects of increased deposition of atmospheric nitrogen on an upland moor: leaching of N species and soil solution chemistry.

    Science.gov (United States)

    Pilkington, M G; Caporn, S J M; Carroll, J A; Cresswell, N; Lee, J A; Ashenden, T W; Brittain, S A; Reynolds, B; Emmett, B A

    2005-05-01

    This study was designed to investigate the leaching response of an upland moorland to long-term (10 yr) ammonium nitrate additions of 40, 80 and 120 kg N ha(-1) yr(-1) and to relate this response to other indications of potential system damage, such as acidification and cation displacement. Results showed increases in nitrate leaching only in response to high rates of N input, in excess of 96 and 136 kg total N input ha(-1) yr(-1) for the organic Oh horizon and mineral Eag horizon, respectively. Individual N additions did not alter ammonium leaching from either horizon and ammonium was completely retained by the mineral horizon. Leaching of dissolved organic nitrogen (DON) from the Oh horizon was increased by the addition of 40 kg N ha(-1) yr(-1), but in spite of increases, retention of total dissolved nitrogen reached a maximum of 92% and 95% of 80 kg added N ha(-1) yr(-1) in the Oh and Eag horizons, respectively. Calcium concentrations and calcium/aluminium ratios were decreased in the Eag horizon solution with significant acidification mainly in the Oh horizon leachate. Nitrate leaching is currently regarded as an early indication of N saturation in forest systems. Litter C:N ratios were significantly lowered but values remained above a threshold predicted to increase leaching of N in forests.

  10. Bibliographies on radiation chemistry: Pt. 12; Rate constants for reactions of nonmetallic inorganic radicals in aqueous solution

    Energy Technology Data Exchange (ETDEWEB)

    Helman, W P; Ross, A B [Notre Dame Univ., IN (USA). Radiation Chemistry Data Center

    1990-01-01

    Rate constants have been determined by pulse radiolysis, flash photolysis, and other methods, for a wide variety of reactions involving transient radicals in aqueous solution. Reliable rate constants have been established for reactions of radicals from water (e{sub aq}{sup -}, {center dot}H, {center dot}OH/{center dot}O{sup -}) and the data have been tabulated (Buxton, 1988) through 1986. Kinetic data for HO{sub 2}{center dot}/O{sub 2}{center dot}{sup -} were tabulated. (Bielski, 1985) from papers published through 1983. A compilation of rate constants, from the literature through Mid-1987, for other nonmetallic inorganic radicals has also appeared recently (Neta, 1988). Together, these compilations contain rate constants for more than 6,000 different reactions, reported in about 2,000 references. The present bibliography provides a list of relevant references which have been collected since the publication of the above-mentioned compilations. The list contains references received through the end of December, 1989. (author).

  11. Low temperature hydrolysis of laboratory tholins in ammonia-water solutions: Implications for prebiotic chemistry on Titan

    Science.gov (United States)

    Neish, Catherine D.; Somogyi, Árpád; Lunine, Jonathan I.; Smith, Mark A.

    2009-05-01

    Laboratory tholins react rapidly in 13 wt% ammonia-water at low temperature, producing complex organic molecules containing both oxygen and altered nitrogen functional groups. These reactions display first-order kinetics with half-lives between 0.3 and 14 days at 253 K. The reaction timescales are much shorter than the freezing timescales of impact melts and volcanic sites on Titan, providing ample time for the formation of oxygenated, possibly prebiotic, molecules on its surface. Comparing the rates of the hydrolysis reactions in ammonia-water to those measured in pure water [Neish, C.D, Somogyi, A., Imanaka, H., Lunine, J.I., Smith, M.A., 2008a. Astrobiology 8, 273-287], we find that incorporation of oxygen into the tholins is faster in the presence of ammonia. The rate increases could be due to the increased pH of the solution, or to the availability of new reaction pathways made possible by the presence of ammonia. Using labeled 15NH 3 water, we find that ammonia does incorporate into some products, and that the reactions with ammonia are largely independent of those with water. A related study in HO18 confirms water as the source of the oxygen incorporated into the oxygen containing products.

  12. AUTONOMOUS GAUSSIAN DECOMPOSITION

    Energy Technology Data Exchange (ETDEWEB)

    Lindner, Robert R.; Vera-Ciro, Carlos; Murray, Claire E.; Stanimirović, Snežana; Babler, Brian [Department of Astronomy, University of Wisconsin, 475 North Charter Street, Madison, WI 53706 (United States); Heiles, Carl [Radio Astronomy Lab, UC Berkeley, 601 Campbell Hall, Berkeley, CA 94720 (United States); Hennebelle, Patrick [Laboratoire AIM, Paris-Saclay, CEA/IRFU/SAp-CNRS-Université Paris Diderot, F-91191 Gif-sur Yvette Cedex (France); Goss, W. M. [National Radio Astronomy Observatory, P.O. Box O, 1003 Lopezville, Socorro, NM 87801 (United States); Dickey, John, E-mail: rlindner@astro.wisc.edu [University of Tasmania, School of Maths and Physics, Private Bag 37, Hobart, TAS 7001 (Australia)

    2015-04-15

    We present a new algorithm, named Autonomous Gaussian Decomposition (AGD), for automatically decomposing spectra into Gaussian components. AGD uses derivative spectroscopy and machine learning to provide optimized guesses for the number of Gaussian components in the data, and also their locations, widths, and amplitudes. We test AGD and find that it produces results comparable to human-derived solutions on 21 cm absorption spectra from the 21 cm SPectral line Observations of Neutral Gas with the EVLA (21-SPONGE) survey. We use AGD with Monte Carlo methods to derive the H i line completeness as a function of peak optical depth and velocity width for the 21-SPONGE data, and also show that the results of AGD are stable against varying observational noise intensity. The autonomy and computational efficiency of the method over traditional manual Gaussian fits allow for truly unbiased comparisons between observations and simulations, and for the ability to scale up and interpret the very large data volumes from the upcoming Square Kilometer Array and pathfinder telescopes.

  13. AUTONOMOUS GAUSSIAN DECOMPOSITION

    International Nuclear Information System (INIS)

    Lindner, Robert R.; Vera-Ciro, Carlos; Murray, Claire E.; Stanimirović, Snežana; Babler, Brian; Heiles, Carl; Hennebelle, Patrick; Goss, W. M.; Dickey, John

    2015-01-01

    We present a new algorithm, named Autonomous Gaussian Decomposition (AGD), for automatically decomposing spectra into Gaussian components. AGD uses derivative spectroscopy and machine learning to provide optimized guesses for the number of Gaussian components in the data, and also their locations, widths, and amplitudes. We test AGD and find that it produces results comparable to human-derived solutions on 21 cm absorption spectra from the 21 cm SPectral line Observations of Neutral Gas with the EVLA (21-SPONGE) survey. We use AGD with Monte Carlo methods to derive the H i line completeness as a function of peak optical depth and velocity width for the 21-SPONGE data, and also show that the results of AGD are stable against varying observational noise intensity. The autonomy and computational efficiency of the method over traditional manual Gaussian fits allow for truly unbiased comparisons between observations and simulations, and for the ability to scale up and interpret the very large data volumes from the upcoming Square Kilometer Array and pathfinder telescopes

  14. Prediction of the effects of soil-based countermeasures on soil solution chemistry of soils contaminated with radiocesium using the hydrogeochemical code PHREEQC.

    Science.gov (United States)

    Hormann, Volker; Kirchner, Gerald

    2002-04-22

    studied. It is shown that calculating the impacts of soil-based chemical countermeasures on soil solution chemistry using geochemical codes such as PHREEQC offers an attractive alternative to establishing these impacts by often time-consuming and site-specific experiments.

  15. Multiresolution signal decomposition schemes

    NARCIS (Netherlands)

    J. Goutsias (John); H.J.A.M. Heijmans (Henk)

    1998-01-01

    textabstract[PNA-R9810] Interest in multiresolution techniques for signal processing and analysis is increasing steadily. An important instance of such a technique is the so-called pyramid decomposition scheme. This report proposes a general axiomatic pyramid decomposition scheme for signal analysis

  16. The New Color of Chemistry: Green Chemistry

    OpenAIRE

    Zuhal GERÇEK

    2012-01-01

    Green chemistry which is the new application of chemistry rules provides solutions to problems that mankind is faced with climate changes, sustainable agriculture, energy, toxics, depletion of natural sources e.g. designing new chemicals and processes that production and utilization of hazardous matters. So, it is the indispensible tool for sustainable development. Current and future chemists should consider the human health and ecological issues in their professional life. In order to provid...

  17. Azimuthal decomposition of optical modes

    CSIR Research Space (South Africa)

    Dudley, Angela L

    2012-07-01

    Full Text Available This presentation analyses the azimuthal decomposition of optical modes. Decomposition of azimuthal modes need two steps, namely generation and decomposition. An azimuthally-varying phase (bounded by a ring-slit) placed in the spatial frequency...

  18. Spectral Tensor-Train Decomposition

    DEFF Research Database (Denmark)

    Bigoni, Daniele; Engsig-Karup, Allan Peter; Marzouk, Youssef M.

    2016-01-01

    The accurate approximation of high-dimensional functions is an essential task in uncertainty quantification and many other fields. We propose a new function approximation scheme based on a spectral extension of the tensor-train (TT) decomposition. We first define a functional version of the TT...... adaptive Smolyak approach. The method is also used to approximate the solution of an elliptic PDE with random input data. The open source software and examples presented in this work are available online (http://pypi.python.org/pypi/TensorToolbox/)....

  19. Fine root biomass, necromass and chemistry during seven years of elevated aluminium concentrations in the soil solution of a middle-aged Picea abies stand.

    Science.gov (United States)

    Eldhuset, Toril D; Lange, Holger; de Wit, Helene A

    2006-10-01

    Toxic effects of aluminium (Al) on Picea abies (L.) Karst. (Norway spruce) trees are well documented in laboratory-scale experiments, but field-based evidence is scarce. This paper presents results on fine root growth and chemistry from a field manipulation experiment in a P. abies stand that was 45 years old when the experiment started in 1996. Different amounts of dissolved aluminium were added as AlCl3 by means of periodic irrigation during the growing season in the period 1997-2002. Potentially toxic concentrations of Al in the soil solution were obtained. Fine roots were studied from direct cores (1996) and sequential root ingrowth cores (1999, 2001, 2002) in the mineral soil (0-40 cm). We tested two hypotheses: (1) elevated concentration of Al in the root zone leads to significant changes in root biomass, partitioning into fine, coarse, living or dead fractions, and distribution with depth; (2) elevated Al concentration leads to a noticeable uptake of Al and reduced uptake of Ca and Mg; this results in Ca and Mg depletion in roots. Hypothesis 1 was only marginally supported, as just a few significant treatment effects on biomass were found. Hypothesis 2 was supported in part; Al addition led to increased root concentrations of Al in 1999 and 2002 and reduced Mg/Al in 1999. Comparison of roots from subsequent root samplings showed a decrease in Al and S over time. The results illustrated that 7 years of elevated Al(tot) concentrations in the soil solution up to 200 microM are not likely to affect root growth. We also discuss possible improvements of the experimental approach.

  20. Bad chemistry

    OpenAIRE

    Petsko, Gregory A

    2004-01-01

    General chemistry courses haven't changed significantly in forty years. Because most basic chemistry students are premedical students, medical schools have enormous influence and could help us start all over again to create undergraduate chemistry education that works.

  1. Cellular decomposition in vikalloys

    International Nuclear Information System (INIS)

    Belyatskaya, I.S.; Vintajkin, E.Z.; Georgieva, I.Ya.; Golikov, V.A.; Udovenko, V.A.

    1981-01-01

    Austenite decomposition in Fe-Co-V and Fe-Co-V-Ni alloys at 475-600 deg C is investigated. The cellular decomposition in ternary alloys results in the formation of bcc (ordered) and fcc structures, and in quaternary alloys - bcc (ordered) and 12R structures. The cellular 12R structure results from the emergence of stacking faults in the fcc lattice with irregular spacing in four layers. The cellular decomposition results in a high-dispersion structure and magnetic properties approaching the level of well-known vikalloys [ru

  2. Decompositions of manifolds

    CERN Document Server

    Daverman, Robert J

    2007-01-01

    Decomposition theory studies decompositions, or partitions, of manifolds into simple pieces, usually cell-like sets. Since its inception in 1929, the subject has become an important tool in geometric topology. The main goal of the book is to help students interested in geometric topology to bridge the gap between entry-level graduate courses and research at the frontier as well as to demonstrate interrelations of decomposition theory with other parts of geometric topology. With numerous exercises and problems, many of them quite challenging, the book continues to be strongly recommended to eve

  3. Thermoanalytical study of the decomposition of yttrium trifluoroacetate thin films

    International Nuclear Information System (INIS)

    Eloussifi, H.; Farjas, J.; Roura, P.; Ricart, S.; Puig, T.; Obradors, X.; Dammak, M.

    2013-01-01

    We present the use of the thermal analysis techniques to study yttrium trifluoroacetate thin films decomposition. In situ analysis was done by means of thermogravimetry, differential thermal analysis, and evolved gas analysis. Solid residues at different stages and the final product have been characterized by X-ray diffraction and scanning electron microscopy. The thermal decomposition of yttrium trifluoroacetate thin films results in the formation of yttria and presents the same succession of intermediates than powder's decomposition, however, yttria and all intermediates but YF 3 appear at significantly lower temperatures. We also observe a dependence on the water partial pressure that was not observed in the decomposition of yttrium trifluoroacetate powders. Finally, a dependence on the substrate chemical composition is discerned. - Highlights: • Thermal decomposition of yttrium trifluoroacetate films. • Very different behavior of films with respect to powders. • Decomposition is enhanced in films. • Application of thermal analysis to chemical solution deposition synthesis of films

  4. Effect of surface chemistries and characteristics of Ti6Al4V on the Ca and P adsorption and ion dissolution in Hank's ethylene diamine tetra-acetic acid solution.

    Science.gov (United States)

    Chang, E; Lee, T M

    2002-07-01

    This study examined the influence of chemistries and surface characteristics of Ti6Al4V on the adsorption of Ca and P species and ion dissolution behavior of the material exposed in Hank's solution with 8.0 mM ethylene diamine tetra-acetic acid at 37 degrees C. The variation of chemistries of the alloy and nano-surface characteristics (chemistries of nano-surface oxides, amphoteric OH group adsorbed on oxides, and oxide thickness) was effected by surface modification and three passivation methods (34% nitric acid passivation. 400 degrees C heated in air, and aged in 100 degrees C water). X-ray photoelectron spectroscopy and Auger electron spectroscopy were used for surface analyses. The chemistries of nano-surface oxides in a range studied should not change the capability of Ca and P adsorption. Nor is the capability affected significantly by amphoteric OH group and oxide thickness. However, passivations influence the surface oxide thickness and the early stage ion dissolution rate of the alloy. The rate-limiting step of the rate can be best explained by metal-ion transport through the oxide film, rather than hydrolysis of the film. Variation of the chemistries of titanium alloy alters the electromotive force potential of the metal, thereby affecting the corrosion and ion dissolution rate.

  5. Vector domain decomposition schemes for parabolic equations

    Science.gov (United States)

    Vabishchevich, P. N.

    2017-09-01

    A new class of domain decomposition schemes for finding approximate solutions of timedependent problems for partial differential equations is proposed and studied. A boundary value problem for a second-order parabolic equation is used as a model problem. The general approach to the construction of domain decomposition schemes is based on partition of unity. Specifically, a vector problem is set up for solving problems in individual subdomains. Stability conditions for vector regionally additive schemes of first- and second-order accuracy are obtained.

  6. The platinum catalysed decomposition of hydrazine in acidic media

    International Nuclear Information System (INIS)

    Ananiev, A.V.; Tananaev, I.G.; Brossard, Ph.; Broudic, J.C.

    2000-01-01

    Kinetic study of the hydrazine decomposition in the solutions of HClO 4 , H 2 SO 4 and HNO 3 in the presence of Pt/SiO 2 catalyst has been undertaken. It was shown that the kinetics of the hydrazine catalytic decomposition in HClO 4 and H 2 SO 4 are identical. The process is determined by the heterogeneous catalytic auto-decomposition of N 2 H 4 on the catalyst's surface. The platinum catalysed hydrazine decomposition in the nitric acid solutions is a complex process, including heterogeneous catalytic auto-decomposition of N 2 H 4 , reaction of hydrazine with catalytically generated nitrous acid and the catalytic oxidation of hydrazine by nitric acid. The kinetic parameters of these reactions have been determined. The contribution of each reaction in the total process is determined by the liquid phase composition and by the temperature. (authors)

  7. Kinetics of Platinum-Catalyzed Decomposition of Hydrogen Peroxide

    Science.gov (United States)

    Vetter, Tiffany A.; Colombo, D. Philip, Jr.

    2003-07-01

    CIBA Vision Corporation markets a contact lens cleaning system that consists of an AOSEPT disinfectant solution and an AOSEPT lens cup. The disinfectant is a buffered 3.0% m/v hydrogen peroxide solution and the cup includes a platinum-coated AOSEPT disc. The hydrogen peroxide disinfects by killing bacteria, fungi, and viruses found on the contact lenses. Because the concentration of hydrogen peroxide needed to disinfect is irritating to eyes, the hydrogen peroxide needs to be neutralized, or decomposed, before the contact lenses can be used again. A general chemistry experiment is described where the kinetics of the catalyzed decomposition of the hydrogen peroxide are studied by measuring the amount of oxygen generated as a function of time. The order of the reaction with respect to the hydrogen peroxide, the rate constant, and the energy of activation are determined. The integrated rate law is used to determine the time required to decompose the hydrogen peroxide to a concentration that is safe for eyes.

  8. Mathematical Chemistry

    OpenAIRE

    Trinajstić, Nenad; Gutman, Ivan

    2002-01-01

    A brief description is given of the historical development of mathematics and chemistry. A path leading to the meeting of these two sciences is described. An attempt is made to define mathematical chemistry, and journals containing the term mathematical chemistry in their titles are noted. In conclusion, the statement is made that although chemistry is an experimental science aimed at preparing new compounds and materials, mathematics is very useful in chemistry, among other things, to produc...

  9. Green synthesis of silver nanoparticles and silver colloidal solutions

    International Nuclear Information System (INIS)

    Nguyen Thi Phuong Phong; Ngo Hoang Minh; Ngo Vo Ke Thanh; Dang Mau Chien

    2009-01-01

    In this paper, silver colloidal solutions have been synthesized rapidly in green conditions by using microwave irradiation and non-toxic chemistry substances (acid oxalic, silver nitrate, polyvinyl pyrolidone (PVP; Mw = 55 000)). The particle size and morphology of these solutions can be controlled by altering several factors like the time, the power of microwave exposure, and the ratio of silver oxalate and PVP etc. The silver nanoparticles were fabricated by thermal decomposition of silver oxalate. The synthesized silver colloidal solutions and silver nanoparticles were characterized by several analytical techniques like UV- VIS, XRD, TEM, FESEM/EDS and ICP-AAS studies. Finally, we used the synthesized silver colloidal solutions for antibacterial purpose. The obtained results showed that the synthesized silver colloidal solutions, even at very low concentrations, have highly efficient anti-bacterial property.

  10. Identification of Di(oxymethylene)glycol in the Raman Spectrum of Formaldehyde Aqueous Solutions by ab lnitio Molecular Dynamics Simulations and Quantum Chemistry Calculations

    Czech Academy of Sciences Publication Activity Database

    Delcroix, Pauline; Pagliai, M.; Cardini, G.; Bégué, D.; Hanoune, B.

    2015-01-01

    Roč. 119, č. 38 (2015), s. 9785-9793 ISSN 1089-5639 Institutional support: RVO:61388963 Keywords : hydrogen bond dynamics * chemical equilibria * liquid water Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.883, year: 2015

  11. Decomposing Nekrasov decomposition

    Energy Technology Data Exchange (ETDEWEB)

    Morozov, A. [ITEP,25 Bolshaya Cheremushkinskaya, Moscow, 117218 (Russian Federation); Institute for Information Transmission Problems,19-1 Bolshoy Karetniy, Moscow, 127051 (Russian Federation); National Research Nuclear University MEPhI,31 Kashirskoe highway, Moscow, 115409 (Russian Federation); Zenkevich, Y. [ITEP,25 Bolshaya Cheremushkinskaya, Moscow, 117218 (Russian Federation); National Research Nuclear University MEPhI,31 Kashirskoe highway, Moscow, 115409 (Russian Federation); Institute for Nuclear Research of Russian Academy of Sciences,6a Prospekt 60-letiya Oktyabrya, Moscow, 117312 (Russian Federation)

    2016-02-16

    AGT relations imply that the four-point conformal block admits a decomposition into a sum over pairs of Young diagrams of essentially rational Nekrasov functions — this is immediately seen when conformal block is represented in the form of a matrix model. However, the q-deformation of the same block has a deeper decomposition — into a sum over a quadruple of Young diagrams of a product of four topological vertices. We analyze the interplay between these two decompositions, their properties and their generalization to multi-point conformal blocks. In the latter case we explain how Dotsenko-Fateev all-with-all (star) pair “interaction” is reduced to the quiver model nearest-neighbor (chain) one. We give new identities for q-Selberg averages of pairs of generalized Macdonald polynomials. We also translate the slicing invariance of refined topological strings into the language of conformal blocks and interpret it as abelianization of generalized Macdonald polynomials.

  12. Decomposing Nekrasov decomposition

    International Nuclear Information System (INIS)

    Morozov, A.; Zenkevich, Y.

    2016-01-01

    AGT relations imply that the four-point conformal block admits a decomposition into a sum over pairs of Young diagrams of essentially rational Nekrasov functions — this is immediately seen when conformal block is represented in the form of a matrix model. However, the q-deformation of the same block has a deeper decomposition — into a sum over a quadruple of Young diagrams of a product of four topological vertices. We analyze the interplay between these two decompositions, their properties and their generalization to multi-point conformal blocks. In the latter case we explain how Dotsenko-Fateev all-with-all (star) pair “interaction” is reduced to the quiver model nearest-neighbor (chain) one. We give new identities for q-Selberg averages of pairs of generalized Macdonald polynomials. We also translate the slicing invariance of refined topological strings into the language of conformal blocks and interpret it as abelianization of generalized Macdonald polynomials.

  13. Symmetric Tensor Decomposition

    DEFF Research Database (Denmark)

    Brachat, Jerome; Comon, Pierre; Mourrain, Bernard

    2010-01-01

    We present an algorithm for decomposing a symmetric tensor, of dimension n and order d, as a sum of rank-1 symmetric tensors, extending the algorithm of Sylvester devised in 1886 for binary forms. We recall the correspondence between the decomposition of a homogeneous polynomial in n variables...... of polynomial equations of small degree in non-generic cases. We propose a new algorithm for symmetric tensor decomposition, based on this characterization and on linear algebra computations with Hankel matrices. The impact of this contribution is two-fold. First it permits an efficient computation...... of the decomposition of any tensor of sub-generic rank, as opposed to widely used iterative algorithms with unproved global convergence (e.g. Alternate Least Squares or gradient descents). Second, it gives tools for understanding uniqueness conditions and for detecting the rank....

  14. FDG decomposition products

    International Nuclear Information System (INIS)

    Macasek, F.; Buriova, E.

    2004-01-01

    In this presentation authors present the results of analysis of decomposition products of [ 18 ]fluorodexyglucose. It is concluded that the coupling of liquid chromatography - mass spectrometry with electrospray ionisation is a suitable tool for quantitative analysis of FDG radiopharmaceutical, i.e. assay of basic components (FDG, glucose), impurities (Kryptofix) and decomposition products (gluconic and glucuronic acids etc.); 2-[ 18 F]fluoro-deoxyglucose (FDG) is sufficiently stable and resistant towards autoradiolysis; the content of radiochemical impurities (2-[ 18 F]fluoro-gluconic and 2-[ 18 F]fluoro-glucuronic acids in expired FDG did not exceed 1%

  15. Density functional theory-based prediction of the formation constants of complexes of ammonia in aqueous solution: indications of the role of relativistic effects in the solution chemistry of gold(I).

    Science.gov (United States)

    Hancock, Robert D; Bartolotti, Libero J

    2005-10-03

    A prediction of the formation constants (log K1) for complexes of metal ions with a single NH3 ligand in aqueous solution, using quantum mechanical calculations, is reported. DeltaG values at 298 K in the gas phase for eq 1 (DeltaG(DFT)) were calculated for 34 metal ions using density functional theory (DFT), with the expectation that these would correlate with the free energy of complex formation in aqueous solution (DeltaG(aq)). [M(H2O)6]n+(g) + NH(3)(g) = [M(H2O)5NH3]n+(g) + H2O(g) (eq 1). The DeltaG(aq) values include the effects of complex changes in solvation on complex formation, which are not included in eq 1. It was anticipated that such changes in solvation would be constant or vary systematically with changes in the log K(1) value for different metal ions; therefore, simple correlations between DeltaG(DFT) and DeltaG(aq) were sought. The bulk of the log K1(NH3) values used to calculate DeltaG(aq) were not experimental, but estimated previously (Hancock 1978, 1980) from a variety of empirical correlations. Separate linear correlations between DeltaG(DFT) and DeltaG(aq) for metal ions of different charges (M2+, M3+, and M4+) were found. In plots of DeltaG(DFT) versus DeltaG(aq), the slopes ranged from 2.201 for M2+ ions down to 1.076 for M4+ ions, with intercepts increasing from M2+ to M4+ ions. Two separate correlations occurred for the M3+ ions, which appeared to correspond to small metal ions with a coordination number (CN) of 6 and to large metal ions with a higher CN in the vicinity of 7-9. The good correlation coefficients (R) in the range of 0.97-0.99 for all these separate correlations suggest that the approach used here may be the basis for future predictions of aqueous phase chemistry that would otherwise be experimentally inaccessible. Thus, the log K1(NH3) value for the transuranic Lr3+, which has a half-life of 3.6 h in its most stable isotope, is predicted to be 1.46. These calculations should also lead to a greater insight into the factors

  16. Foreword - Acid decomposition of borosilicate ores

    International Nuclear Information System (INIS)

    Mirsaidov, U.M.; Kurbonov, A.S.; Mamatov, E.D.

    2015-01-01

    The elaboration and development of technology of processing of mineral raw materials have an important role for the industry of Tajikistan. The results of researches of the staff of Institute of Chemistry and Nuclear and Radiation Safety Agency of the Republic of Tajikistan were considered in present monograph. The physicochemical and technological aspects of processing of borosilicate raw materials of Ak-Arkhar Deposit of Tajikistan were considered. The necessary conditions of acid decomposition of raw materials were defined. The flowsheets for the processing of boron raw materials were proposed.

  17. Chemistry of plutonium revealed

    International Nuclear Information System (INIS)

    Connick, R.E.

    1992-01-01

    In 1941 one goal of the Manhattan Project was to unravel the chemistry of the synthetic element plutonium as rapidly as possible. In this paper the work carried out at Berkeley from the spring of 1942 to the summer of 1945 is described briefly. The aqueous chemistry of plutonium is quite remarkable. Important insights were obtained from tracer experiments, but the full complexity was not revealed until macroscopic amounts (milligrams) became available. Because processes for separation from fission products were based on aqueous solutions, such solution chemistry was emphasized, particularly precipitation and oxidation-reduction behavior. The latter turned out to be unusually intricate when it was discovered that two more oxidation states existed in aqueous solution than had previously been suspected. Further, an equilibrium was rapidly established among the four aqueous oxidation states, while at the same time any three were not in equilibrium. These and other observations made while doing a crash study of a previously unknown element are reported

  18. Chemistry Notes

    Science.gov (United States)

    School Science Review, 1976

    1976-01-01

    Described are eight chemistry experiments and demonstrations applicable to introductory chemistry courses. Activities include: measure of lattice enthalpy, Le Chatelier's principle, decarboxylation of soap, use of pocket calculators in pH measurement, and making nylon. (SL)

  19. Chemistry Dashboard

    Science.gov (United States)

    The Chemistry Dashboard is part of a suite of dashboards developed by EPA to help evaluate the safety of chemicals. The Chemistry Dashboard provides access to a variety of information on over 700,000 chemicals currently in use.

  20. Combinatorial chemistry

    DEFF Research Database (Denmark)

    Nielsen, John

    1994-01-01

    An overview of combinatorial chemistry is presented. Combinatorial chemistry, sometimes referred to as `irrational drug design,' involves the generation of molecular diversity. The resulting chemical library is then screened for biologically active compounds.......An overview of combinatorial chemistry is presented. Combinatorial chemistry, sometimes referred to as `irrational drug design,' involves the generation of molecular diversity. The resulting chemical library is then screened for biologically active compounds....

  1. Aquatic Chemistry

    International Nuclear Information System (INIS)

    Kim, Dong Yeun; Kim, Oh Sik; Kim, Chang Guk; Park, Cheong Gil; Lee, Gwi Hyeon; Lee, Cheol Hui

    1987-07-01

    This book deals aquatic chemistry, which treats water and environment, chemical kinetics, chemical balance like dynamical characteristic, and thermodynamics, acid-base chemistry such as summary, definition, kinetics, and PH design for mixture of acid-base chemistry, complex chemistry with definition, and kinetics, precipitation and dissolution on summary, kinetics of precipitation and dissolution, and balance design oxidation and resolution with summary, balance of oxidation and resolution.

  2. Positronium chemistry

    CERN Document Server

    Green, James

    1964-01-01

    Positronium Chemistry focuses on the methodologies, reactions, processes, and transformations involved in positronium chemistry. The publication first offers information on positrons and positronium and experimental methods, including mesonic atoms, angular correlation measurements, annihilation spectra, and statistical errors in delayed coincidence measurements. The text then ponders on positrons in gases and solids. The manuscript takes a look at the theoretical chemistry of positronium and positronium chemistry in gases. Topics include quenching, annihilation spectrum, delayed coincidence

  3. Chemistry and Heritage

    Science.gov (United States)

    Vittoria Barbarulo, Maria

    2014-05-01

    Chemistry is the central science, as it touches every aspect of the society we live in and it is intertwined with many aspects of our culture; in particular, the strong link between Chemistry and Archaeology and Art History is being explored, offering a penetrating insight into an area of growing interest from an educational point of view. A series of vital and vibrant examples (i.e., ancient bronzes composition, colour changes due to natural pigment decomposition, marble degradation) has been proposed, on one hand, to improve student understanding of the relationship between cultural and scientific issues arising from the examination, the conservation, and the maintenance of cultural Heritage, on the other, to illustrate the role of the underlying Chemistry. In some case studies, a survey of the most relevant atmospheric factors, which are involved in the deterioration mechanisms, has also been presented to the students. First-hand laboratory experiences have been providing an invaluable means of discovering the full and varied world of Chemistry. Furthermore, the promotion of an interdisciplinary investigation of a famous painting or fresco, involving the study of its nature and significance, the definition of its historical context, any related literature, the chemical knowledge of the materials used, may be an excellent occasion to experiment the Content and Language Integrated Learning (CLIL). The aim of this approach is to convey the important message that everyone has the responsibility to care for and preserve Heritage for the benefit of present and future generations.

  4. Multiple Shooting and Time Domain Decomposition Methods

    CERN Document Server

    Geiger, Michael; Körkel, Stefan; Rannacher, Rolf

    2015-01-01

    This book offers a comprehensive collection of the most advanced numerical techniques for the efficient and effective solution of simulation and optimization problems governed by systems of time-dependent differential equations. The contributions present various approaches to time domain decomposition, focusing on multiple shooting and parareal algorithms.  The range of topics covers theoretical analysis of the methods, as well as their algorithmic formulation and guidelines for practical implementation. Selected examples show that the discussed approaches are mandatory for the solution of challenging practical problems. The practicability and efficiency of the presented methods is illustrated by several case studies from fluid dynamics, data compression, image processing and computational biology, giving rise to possible new research topics.  This volume, resulting from the workshop Multiple Shooting and Time Domain Decomposition Methods, held in Heidelberg in May 2013, will be of great interest to applied...

  5. Forensic Chemistry

    Science.gov (United States)

    Bell, Suzanne

    2009-07-01

    Forensic chemistry is unique among chemical sciences in that its research, practice, and presentation must meet the needs of both the scientific and the legal communities. As such, forensic chemistry research is applied and derivative by nature and design, and it emphasizes metrology (the science of measurement) and validation. Forensic chemistry has moved away from its analytical roots and is incorporating a broader spectrum of chemical sciences. Existing forensic practices are being revisited as the purview of forensic chemistry extends outward from drug analysis and toxicology into such diverse areas as combustion chemistry, materials science, and pattern evidence.

  6. Domain decomposition multigrid for unstructured grids

    Energy Technology Data Exchange (ETDEWEB)

    Shapira, Yair

    1997-01-01

    A two-level preconditioning method for the solution of elliptic boundary value problems using finite element schemes on possibly unstructured meshes is introduced. It is based on a domain decomposition and a Galerkin scheme for the coarse level vertex unknowns. For both the implementation and the analysis, it is not required that the curves of discontinuity in the coefficients of the PDE match the interfaces between subdomains. Generalizations to nonmatching or overlapping grids are made.

  7. Radiation decomposition of alcohols and chloro phenols in micellar systems

    International Nuclear Information System (INIS)

    Moreno A, J.

    1998-01-01

    The effect of surfactants on the radiation decomposition yield of alcohols and chloro phenols has been studied with gamma doses of 2, 3, and 5 KGy. These compounds were used as typical pollutants in waste water, and the effect of the water solubility, chemical structure, and the nature of the surfactant, anionic or cationic, was studied. The results show that anionic surfactant like sodium dodecylsulfate (SDS), improve the radiation decomposition yield of ortho-chloro phenol, while cationic surfactant like cetyl trimethylammonium chloride (CTAC), improve the radiation decomposition yield of butyl alcohol. A similar behavior is expected for those alcohols with water solubility close to the studied ones. Surfactant concentrations below critical micellar concentration (CMC), inhibited radiation decomposition for both types of alcohols. However radiation decomposition yield increased when surfactant concentrations were bigger than the CMC. Aromatic alcohols decomposition was more marked than for linear alcohols decomposition. On a mixture of alcohols and chloro phenols in aqueous solution the radiation decomposition yield decreased with increasing surfactant concentration. Nevertheless, there were competitive reactions between the alcohols, surfactants dimers, hydroxyl radical and other reactive species formed on water radiolysis, producing a catalytic positive effect in the decomposition of alcohols. Chemical structure and the number of carbons were not important factors in the radiation decomposition. When an alcohol like ortho-chloro phenol contained an additional chlorine atom, the decomposition of this compound was almost constant. In conclusion the micellar effect depend on both, the nature of the surfactant (anionic or cationic) and the chemical structure of the alcohols. The results of this study are useful for wastewater treatment plants based on the oxidant effect of the hydroxyl radical, like in advanced oxidation processes, or in combined treatment such as

  8. Inverse scale space decomposition

    DEFF Research Database (Denmark)

    Schmidt, Marie Foged; Benning, Martin; Schönlieb, Carola-Bibiane

    2018-01-01

    We investigate the inverse scale space flow as a decomposition method for decomposing data into generalised singular vectors. We show that the inverse scale space flow, based on convex and even and positively one-homogeneous regularisation functionals, can decompose data represented...... by the application of a forward operator to a linear combination of generalised singular vectors into its individual singular vectors. We verify that for this decomposition to hold true, two additional conditions on the singular vectors are sufficient: orthogonality in the data space and inclusion of partial sums...... of the subgradients of the singular vectors in the subdifferential of the regularisation functional at zero. We also address the converse question of when the inverse scale space flow returns a generalised singular vector given that the initial data is arbitrary (and therefore not necessarily in the range...

  9. Magic Coset Decompositions

    CERN Document Server

    Cacciatori, Sergio L; Marrani, Alessio

    2013-01-01

    By exploiting a "mixed" non-symmetric Freudenthal-Rozenfeld-Tits magic square, two types of coset decompositions are analyzed for the non-compact special K\\"ahler symmetric rank-3 coset E7(-25)/[(E6(-78) x U(1))/Z_3], occurring in supergravity as the vector multiplets' scalar manifold in N=2, D=4 exceptional Maxwell-Einstein theory. The first decomposition exhibits maximal manifest covariance, whereas the second (triality-symmetric) one is of Iwasawa type, with maximal SO(8) covariance. Generalizations to conformal non-compact, real forms of non-degenerate, simple groups "of type E7" are presented for both classes of coset parametrizations, and relations to rank-3 simple Euclidean Jordan algebras and normed trialities over division algebras are also discussed.

  10. Decomposition of ammonium nitrate in homogeneous and catalytic denitration

    International Nuclear Information System (INIS)

    Anan'ev, A. V.; Tananaev, I. G.; Shilov, V. P.

    2005-01-01

    Ammonium nitrate is one of potentially explosive by-products of spent fuel reprocessing. Decomposition of ammonium nitrate in the HNO 3 -HCOOH system was studied in the presence or absence of Pt/SiO 2 catalyst. It was found that decomposition of ammonium nitrate is due to homogeneous noncatalytic oxidation of ammonium ion with nitrous acid generated in the HNO 3 -HCOOH system during denitration. The platinum catalyst initiates the reaction of HNO 3 with HCOOH to form HNO 2 . The regular trends were revealed and the optimal conditions of decomposition of ammonium nitrate in nitric acid solutions were found [ru

  11. Polish contribution to radiation chemistry

    International Nuclear Information System (INIS)

    Kroh, J.

    1989-01-01

    This article outlines the history of radiation chemistry research in Poland from 1899 to the present day, with particular reference to radiolysis studies of aqueous solutions of radioactive compounds. (UK)

  12. Organic chemistry

    International Nuclear Information System (INIS)

    2003-08-01

    This book with sixteen chapter explains organic chemistry on linkage isomerism such as alkane, cycloalkane, alkene, aromatic compounds, stereo selective isomerization, aromatic compounds, stereo selective isomerization, organic compounds, stereo selective isomerization, organic halogen compound, alcohol, ether, aldehyde and ketone, carboxylic acid, dicarboxylic acid, fat and detergent, amino, carbohydrate, amino acid and protein, nucleotide and nucleic acid and spectroscopy, a polymer and medical chemistry. Each chapter has introduction structure and characteristic and using of organic chemistry.

  13. Technetium chemistry

    International Nuclear Information System (INIS)

    Burns, C.; Bryan, J.; Cotton, F.; Ott, K.; Kubas, G.; Haefner, S.; Barrera, J.; Hall, K.; Burrell, A.

    1996-01-01

    Technetium chemistry is a young and developing field. Despite the limited knowledge of its chemistry, technetium is the workhorse for nuclear medicine. Technetium is also a significant environmental concern because it is formed as a byproduct of nuclear weapons production and fission-power generators. Development of new technetium radio-pharmaceuticals and effective environmental control depends strongly upon knowledge of basic technetium chemistry. The authors performed research into the basic coordination and organometallic chemistry of technetium and used this knowledge to address nuclear medicine and environmental applications. This is the final report of a three-year Laboratory-Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL)

  14. Chemistry Technology

    Data.gov (United States)

    Federal Laboratory Consortium — Chemistry technology experts at NCATS engage in a variety of innovative translational research activities, including:Design of bioactive small molecules.Development...

  15. Mass spectrometry. [in organic chemistry

    Science.gov (United States)

    Burlingame, A. L.; Shackleton, C. H. L.; Howe, I.; Chizhov, O. S.

    1978-01-01

    A review of mass spectrometry in organic chemistry is given, dealing with advances in instrumentation and computer techniques, selected topics in gas-phase ion chemistry, and applications in such fields as biomedicine, natural-product studies, and environmental pollution analysis. Innovative techniques and instrumentation are discussed, along with chromatographic-mass spectrometric on-line computer techniques, mass spectral interpretation and management techniques, and such topics in gas-phase ion chemistry as electron-impact ionization and decomposition, photoionization, field ionization and desorption, high-pressure mass spectrometry, ion cyclotron resonance, and isomerization reactions of organic ions. Applications of mass spectrometry are examined with respect to bio-oligomers and their constituents, biomedically important substances, microbiology, environmental organic analysis, and organic geochemistry.

  16. Bregmanized Domain Decomposition for Image Restoration

    KAUST Repository

    Langer, Andreas

    2012-05-22

    Computational problems of large-scale data are gaining attention recently due to better hardware and hence, higher dimensionality of images and data sets acquired in applications. In the last couple of years non-smooth minimization problems such as total variation minimization became increasingly important for the solution of these tasks. While being favorable due to the improved enhancement of images compared to smooth imaging approaches, non-smooth minimization problems typically scale badly with the dimension of the data. Hence, for large imaging problems solved by total variation minimization domain decomposition algorithms have been proposed, aiming to split one large problem into N > 1 smaller problems which can be solved on parallel CPUs. The N subproblems constitute constrained minimization problems, where the constraint enforces the support of the minimizer to be the respective subdomain. In this paper we discuss a fast computational algorithm to solve domain decomposition for total variation minimization. In particular, we accelerate the computation of the subproblems by nested Bregman iterations. We propose a Bregmanized Operator Splitting-Split Bregman (BOS-SB) algorithm, which enforces the restriction onto the respective subdomain by a Bregman iteration that is subsequently solved by a Split Bregman strategy. The computational performance of this new approach is discussed for its application to image inpainting and image deblurring. It turns out that the proposed new solution technique is up to three times faster than the iterative algorithm currently used in domain decomposition methods for total variation minimization. © Springer Science+Business Media, LLC 2012.

  17. Clustering via Kernel Decomposition

    DEFF Research Database (Denmark)

    Have, Anna Szynkowiak; Girolami, Mark A.; Larsen, Jan

    2006-01-01

    Methods for spectral clustering have been proposed recently which rely on the eigenvalue decomposition of an affinity matrix. In this work it is proposed that the affinity matrix is created based on the elements of a non-parametric density estimator. This matrix is then decomposed to obtain...... posterior probabilities of class membership using an appropriate form of nonnegative matrix factorization. The troublesome selection of hyperparameters such as kernel width and number of clusters can be obtained using standard cross-validation methods as is demonstrated on a number of diverse data sets....

  18. Current organic chemistry

    National Research Council Canada - National Science Library

    1997-01-01

    Provides in depth reviews on current progress in the fields of asymmetric synthesis, organometallic chemistry, bioorganic chemistry, heterocyclic chemistry, natural product chemistry, and analytical...

  19. Danburite decomposition by sulfuric acid

    International Nuclear Information System (INIS)

    Mirsaidov, U.; Mamatov, E.D.; Ashurov, N.A.

    2011-01-01

    Present article is devoted to decomposition of danburite of Ak-Arkhar Deposit of Tajikistan by sulfuric acid. The process of decomposition of danburite concentrate by sulfuric acid was studied. The chemical nature of decomposition process of boron containing ore was determined. The influence of temperature on the rate of extraction of boron and iron oxides was defined. The dependence of decomposition of boron and iron oxides on process duration, dosage of H 2 SO 4 , acid concentration and size of danburite particles was determined. The kinetics of danburite decomposition by sulfuric acid was studied as well. The apparent activation energy of the process of danburite decomposition by sulfuric acid was calculated. The flowsheet of danburite processing by sulfuric acid was elaborated.

  20. Thermal decomposition of lutetium propionate

    DEFF Research Database (Denmark)

    Grivel, Jean-Claude

    2010-01-01

    The thermal decomposition of lutetium(III) propionate monohydrate (Lu(C2H5CO2)3·H2O) in argon was studied by means of thermogravimetry, differential thermal analysis, IR-spectroscopy and X-ray diffraction. Dehydration takes place around 90 °C. It is followed by the decomposition of the anhydrous...... °C. Full conversion to Lu2O3 is achieved at about 1000 °C. Whereas the temperatures and solid reaction products of the first two decomposition steps are similar to those previously reported for the thermal decomposition of lanthanum(III) propionate monohydrate, the final decomposition...... of the oxycarbonate to the rare-earth oxide proceeds in a different way, which is here reminiscent of the thermal decomposition path of Lu(C3H5O2)·2CO(NH2)2·2H2O...

  1. Nuclear chemistry

    International Nuclear Information System (INIS)

    Vertes, A.; Kiss, I.

    1987-01-01

    This book is an introduction to the application of nuclear science in modern chemistry. The first group of chapters discuss the basic phenomena and concepts of nuclear physics with emphasis on their relation to chemical problems, including the main properties and the composition of atomic nuclei, nuclear reactions, radioactive decay and interactions of radiation with matter. These chapters provide the basis for understanding the following chapters which encompass the wide scope of nuclear chemistry. The methods of the investigation of chemical structure based on the interaction of nuclear radiation with matter including positronium chemistry and other exotic atoms is elaborated in particular detail. Separate chapters are devoted to the use of radioactive tracers, the chemical consequences of nuclear processes (i.e. hot atom chemistry), radiation chemistry, isotope effects and their applications, and the operation of nuclear reactors

  2. Nuclear chemistry

    International Nuclear Information System (INIS)

    Vertes, A.; Kiss, I.

    1987-01-01

    This book is an introduction to the application of nuclear science in modern chemistry. The first group of chapters discuss the basic phenomena and concepts of nuclear physics with emphasis on their relation to chemical problems, including the main properties and the composition of atomic nuclei, nuclear reactions, radioactive decay and interactions of radiation with matter. These chapters provide the basis for understanding the following chapters which encompass the wide scope of nuclear chemistry. The methods of the investigation of chemical structure based on the interaction of nuclear radiation with matter including positronium chemistry and other exotic atoms is elaborated in particular detail. Separate chapters are devoted to the use of radioactive tracers, the chemical consequences of nuclear processes (i.e. hot atom chemistry), radiation chemistry, isotope effects and their applications, and the operation of nuclear reactors. (Auth.)

  3. Quantum chemistry

    CERN Document Server

    Lowe, John P

    1993-01-01

    Praised for its appealing writing style and clear pedagogy, Lowe's Quantum Chemistry is now available in its Second Edition as a text for senior undergraduate- and graduate-level chemistry students. The book assumes little mathematical or physical sophistication and emphasizes an understanding of the techniques and results of quantum chemistry, thus enabling students to comprehend much of the current chemical literature in which quantum chemical methods or concepts are used as tools. The book begins with a six-chapter introduction of standard one-dimensional systems, the hydrogen atom,

  4. Reactivity continuum modeling of leaf, root, and wood decomposition across biomes

    Science.gov (United States)

    Koehler, Birgit; Tranvik, Lars J.

    2015-07-01

    Large carbon dioxide amounts are released to the atmosphere during organic matter decomposition. Yet the large-scale and long-term regulation of this critical process in global carbon cycling by litter chemistry and climate remains poorly understood. We used reactivity continuum (RC) modeling to analyze the decadal data set of the "Long-term Intersite Decomposition Experiment," in which fine litter and wood decomposition was studied in eight biome types (224 time series). In 32 and 46% of all sites the litter content of the acid-unhydrolyzable residue (AUR, formerly referred to as lignin) and the AUR/nitrogen ratio, respectively, retarded initial decomposition rates. This initial rate-retarding effect generally disappeared within the first year of decomposition, and rate-stimulating effects of nutrients and a rate-retarding effect of the carbon/nitrogen ratio became more prevalent. For needles and leaves/grasses, the influence of climate on decomposition decreased over time. For fine roots, the climatic influence was initially smaller but increased toward later-stage decomposition. The climate decomposition index was the strongest climatic predictor of decomposition. The similar variability in initial decomposition rates across litter categories as across biome types suggested that future changes in decomposition may be dominated by warming-induced changes in plant community composition. In general, the RC model parameters successfully predicted independent decomposition data for the different litter-biome combinations (196 time series). We argue that parameterization of large-scale decomposition models with RC model parameters, as opposed to the currently common discrete multiexponential models, could significantly improve their mechanistic foundation and predictive accuracy across climate zones and litter categories.

  5. Proton mass decomposition

    Science.gov (United States)

    Yang, Yi-Bo; Chen, Ying; Draper, Terrence; Liang, Jian; Liu, Keh-Fei

    2018-03-01

    We report the results on the proton mass decomposition and also on the related quark and glue momentum fractions. The results are based on overlap valence fermions on four ensembles of Nf = 2 + 1 DWF configurations with three lattice spacings and volumes, and several pion masses including the physical pion mass. With 1-loop pertur-bative calculation and proper normalization of the glue operator, we find that the u, d, and s quark masses contribute 9(2)% to the proton mass. The quark energy and glue field energy contribute 31(5)% and 37(5)% respectively in the MS scheme at µ = 2 GeV. The trace anomaly gives the remaining 23(1)% contribution. The u, d, s and glue momentum fractions in the MS scheme are consistent with the global analysis at µ = 2 GeV.

  6. Erbium hydride decomposition kinetics.

    Energy Technology Data Exchange (ETDEWEB)

    Ferrizz, Robert Matthew

    2006-11-01

    Thermal desorption spectroscopy (TDS) is used to study the decomposition kinetics of erbium hydride thin films. The TDS results presented in this report are analyzed quantitatively using Redhead's method to yield kinetic parameters (E{sub A} {approx} 54.2 kcal/mol), which are then utilized to predict hydrogen outgassing in vacuum for a variety of thermal treatments. Interestingly, it was found that the activation energy for desorption can vary by more than 7 kcal/mol (0.30 eV) for seemingly similar samples. In addition, small amounts of less-stable hydrogen were observed for all erbium dihydride films. A detailed explanation of several approaches for analyzing thermal desorption spectra to obtain kinetic information is included as an appendix.

  7. Art of spin decomposition

    International Nuclear Information System (INIS)

    Chen Xiangsong; Sun Weimin; Wang Fan; Goldman, T.

    2011-01-01

    We analyze the problem of spin decomposition for an interacting system from a natural perspective of constructing angular-momentum eigenstates. We split, from the total angular-momentum operator, a proper part which can be separately conserved for a stationary state. This part commutes with the total Hamiltonian and thus specifies the quantum angular momentum. We first show how this can be done in a gauge-dependent way, by seeking a specific gauge in which part of the total angular-momentum operator vanishes identically. We then construct a gauge-invariant operator with the desired property. Our analysis clarifies what is the most pertinent choice among the various proposals for decomposing the nucleon spin. A similar analysis is performed for extracting a proper part from the total Hamiltonian to construct energy eigenstates.

  8. Computing UV/vis spectra using a combined molecular dynamics and quantum chemistry approach: bis-triazin-pyridine (BTP) ligands studied in solution.

    Science.gov (United States)

    Höfener, Sebastian; Trumm, Michael; Koke, Carsten; Heuser, Johannes; Ekström, Ulf; Skerencak-Frech, Andrej; Schimmelpfennig, Bernd; Panak, Petra J

    2016-03-21

    We report a combined computational and experimental study to investigate the UV/vis spectra of 2,6-bis(5,6-dialkyl-1,2,4-triazin-3-yl)pyridine (BTP) ligands in solution. In order to study molecules in solution using theoretical methods, force-field parameters for the ligand-water interaction are adjusted to ab initio quantum chemical calculations. Based on these parameters, molecular dynamics (MD) simulations are carried out from which snapshots are extracted as input to quantum chemical excitation-energy calculations to obtain UV/vis spectra of BTP ligands in solution using time-dependent density functional theory (TDDFT) employing the Tamm-Dancoff approximation (TDA). The range-separated CAM-B3LYP functional is used to avoid large errors for charge-transfer states occurring in the electronic spectra. In order to study environment effects with theoretical methods, the frozen-density embedding scheme is applied. This computational procedure allows to obtain electronic spectra calculated at the (range-separated) DFT level of theory in solution, revealing solvatochromic shifts upon solvation of up to about 0.6 eV. Comparison to experimental data shows a significantly improved agreement compared to vacuum calculations and enables the analysis of relevant excitations for the line shape in solution.

  9. Materials Chemistry

    CERN Document Server

    Fahlman, Bradley D

    2011-01-01

    The 2nd edition of Materials Chemistry builds on the strengths that were recognized by a 2008 Textbook Excellence Award from the Text and Academic Authors Association (TAA). Materials Chemistry addresses inorganic-, organic-, and nano-based materials from a structure vs. property treatment, providing a suitable breadth and depth coverage of the rapidly evolving materials field. The 2nd edition continues to offer innovative coverage and practical perspective throughout. After briefly defining materials chemistry and its history, seven chapters discuss solid-state chemistry, metals, semiconducting materials, organic "soft" materials, nanomaterials, and materials characterization. All chapters have been thoroughly updated and expanded with, for example, new sections on ‘soft lithographic’ patterning, ‘click chemistry’ polymerization, nanotoxicity, graphene, as well as many biomaterials applications. The polymer and ‘soft’ materials chapter represents the largest expansion for the 2nd edition. Each ch...

  10. Introduction - Acid decomposition of borosilicate ores

    International Nuclear Information System (INIS)

    Mirsaidov, U.M.; Kurbonov, A.S.; Mamatov, E.D.

    2015-01-01

    The complex processing of mineral raw materials is an effective way for the extraction of valuable components. One of these raw materials are borosilicate ores from which the boric acid, aluminium and iron salts and building materials can be obtained. In the Institute of Chemistry of the Academy of Sciences of the Republic of Tajikistan the flowsheets of the processing of borosilicate raw materials by acid and chloric methods were elaborated. The acid methods of decomposition of borosilicate ores of Ak-Arkhar Deposit were considered in present monograph. The carried out researches on elaboration of physicochemical aspects and technological acid methods allowed to define the optimal ways of extraction of valuable products from borosilicate raw materials of Tajikistan.

  11. Analytical chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Choi, Jae Seong

    1993-02-15

    This book is comprised of nineteen chapters, which describes introduction of analytical chemistry, experimental error and statistics, chemistry equilibrium and solubility, gravimetric analysis with mechanism of precipitation, range and calculation of the result, volume analysis on general principle, sedimentation method on types and titration curve, acid base balance, acid base titration curve, complex and firing reaction, introduction of chemical electro analysis, acid-base titration curve, electrode and potentiometry, electrolysis and conductometry, voltammetry and polarographic spectrophotometry, atomic spectrometry, solvent extraction, chromatograph and experiments.

  12. Analytical chemistry

    International Nuclear Information System (INIS)

    Choi, Jae Seong

    1993-02-01

    This book is comprised of nineteen chapters, which describes introduction of analytical chemistry, experimental error and statistics, chemistry equilibrium and solubility, gravimetric analysis with mechanism of precipitation, range and calculation of the result, volume analysis on general principle, sedimentation method on types and titration curve, acid base balance, acid base titration curve, complex and firing reaction, introduction of chemical electro analysis, acid-base titration curve, electrode and potentiometry, electrolysis and conductometry, voltammetry and polarographic spectrophotometry, atomic spectrometry, solvent extraction, chromatograph and experiments.

  13. Decomposition methods for unsupervised learning

    DEFF Research Database (Denmark)

    Mørup, Morten

    2008-01-01

    This thesis presents the application and development of decomposition methods for Unsupervised Learning. It covers topics from classical factor analysis based decomposition and its variants such as Independent Component Analysis, Non-negative Matrix Factorization and Sparse Coding...... methods and clustering problems is derived both in terms of classical point clustering but also in terms of community detection in complex networks. A guiding principle throughout this thesis is the principle of parsimony. Hence, the goal of Unsupervised Learning is here posed as striving for simplicity...... in the decompositions. Thus, it is demonstrated how a wide range of decomposition methods explicitly or implicitly strive to attain this goal. Applications of the derived decompositions are given ranging from multi-media analysis of image and sound data, analysis of biomedical data such as electroencephalography...

  14. A posteriori error analysis of multiscale operator decomposition methods for multiphysics models

    International Nuclear Information System (INIS)

    Estep, D; Carey, V; Tavener, S; Ginting, V; Wildey, T

    2008-01-01

    Multiphysics, multiscale models present significant challenges in computing accurate solutions and for estimating the error in information computed from numerical solutions. In this paper, we describe recent advances in extending the techniques of a posteriori error analysis to multiscale operator decomposition solution methods. While the particulars of the analysis vary considerably with the problem, several key ideas underlie a general approach being developed to treat operator decomposition multiscale methods. We explain these ideas in the context of three specific examples

  15. Accuracy of the Adomian decomposition method applied to the Lorenz system

    International Nuclear Information System (INIS)

    Hashim, I.; Noorani, M.S.M.; Ahmad, R.; Bakar, S.A.; Ismail, E.S.; Zakaria, A.M.

    2006-01-01

    In this paper, the Adomian decomposition method (ADM) is applied to the famous Lorenz system. The ADM yields an analytical solution in terms of a rapidly convergent infinite power series with easily computable terms. Comparisons between the decomposition solutions and the fourth-order Runge-Kutta (RK4) numerical solutions are made for various time steps. In particular we look at the accuracy of the ADM as the Lorenz system changes from a non-chaotic system to a chaotic one

  16. Radiation chemistry of DNA. II. Strand breaks and sugar release by. gamma. -irradiation of DNA in aqueous solution. The effect of oxygen

    Energy Technology Data Exchange (ETDEWEB)

    Dizdaroglu, M; Schulte-Frohlinde, D; von Sonntag, C [Max-Planck-Institut fuer Kohlenforschung, Muelheim an der Ruhr (F.R. Germany). Abt. fuer Strahlenchemie

    1975-11-01

    From ..gamma..-irradiated oxygenated aqueous solutions of DNA, 2-deoxy-tetrodialdose (1) and 2-deoxy-pentos-4-ulose (2) have been isolated as free sugars. The formation of 1 indicates that in the presence of oxygen the DNA strand is not only broken by mere phosphate ester cleavage but also by C-C-bond rupture in the sugar moiety. Such a process has not been encountered in deoxygenated solutions so far. The mechanism for the formation of 1 is discussed.

  17. Modelling of nitric and nitrous acid chemistry for solvent extraction purposes

    Energy Technology Data Exchange (ETDEWEB)

    McKenzie, H.; McLachlan, F. [National Nuclear Laboratory, Building D5, Culham Science Centre, Abingdon, Oxfordshire, OX14 3DB (United Kingdom); MacDonald-Taylor, J. [National Nuclear Laboratory, 5th Floor, Chadwick House, Warrington Road, Birchwood Park, Warrington, WA3 6AE (United Kingdom); Orr, R.; Woodhead, D. [National Nuclear Laboratory, Central Laboratory, Sellafield, Seascale, Cumbria, CA20 1PG (United Kingdom)

    2016-07-01

    Nitric acid plays an integral role in the reprocessing of irradiated fuel. It is well known that nitric acid degrades; its often yellow hue signifies the presence of decomposition products. The decomposition of nitric acid is accelerated by temperature and radiolysis; therefore it is an important consideration in the reprocessing of nuclear fuels. Thermal and radiolytic reactions of nitric acid result in the formation of redox active nitrogen species, of which nitrous acid is of particular concern, largely due to its redox reactions with plutonium and neptunium. Such reactions are important to understand as plutonium and neptunium can exist in a number of oxidation states; the oxidation state has a direct effect on the species extractability. The effect of nitrous acid is exacerbated as it catalyzes its own production and its reactions with actinides are typically autocatalytic; thus even micromolar quantities can have a large effect. A full understanding of solvent extraction requires us to understand actinide valence states which in turn require us to understand what nitrogen species are present and their concentrations. As a first step in the overall objective of enhancing process models, the kinetic data for nitric acid decomposition reactions has been investigated in order to produce an initial dynamic model of decomposition under aqueous conditions. The identification of a set of kinetic reactions suitable for modelling has been the primary focus of this work. A model of nitric acid thermal decomposition will help develop a better understanding of nitric acid decomposition chemistry and enable better prediction of the oxidation states of species in solution. It is intended to later extend the model to include radiolytic reactions and then further to incorporate an organic phase in order to have a model which covers all decomposition routes for nitric acid within a nuclear fuel reprocessing scheme. The model will be used as a sub model for process models

  18. Thermal decomposition and reaction of confined explosives

    International Nuclear Information System (INIS)

    Catalano, E.; McGuire, R.; Lee, E.; Wrenn, E.; Ornellas, D.; Walton, J.

    1976-01-01

    Some new experiments designed to accurately determine the time interval required to produce a reactive event in confined explosives subjected to temperatures which will cause decomposition are described. Geometry and boundary conditions were both well defined so that these experiments on the rapid thermal decomposition of HE are amenable to predictive modelling. Experiments have been carried out on TNT, TATB and on two plastic-bonded HMX-based high explosives, LX-04 and LX-10. When the results of these experiments are plotted as the logarithm of the time to explosion versus 1/T K (Arrhenius plot), the curves produced are remarkably linear. This is in contradiction to the results obtained by an iterative solution of the Laplace equation for a system with a first order rate heat source. Such calculations produce plots which display considerable curvature. The experiments have also shown that the time to explosion is strongly influenced by the void volume in the containment vessel. Results of the experiments with calculations based on the heat flow equations coupled with first-order models of chemical decomposition are compared. The comparisons demonstrate the need for a more realistic reaction model

  19. Novel chemistry of alpha-tosyloxy ketones: applications to the solution- and solid-phase synthesis of privileged heterocycle and enediyne libraries

    DEFF Research Database (Denmark)

    Nicolaou, K C; Montagnon, T; Ulven, T

    2002-01-01

    New synthetic technologies for the preparation and elaboration of alpha-tosyloxy ketones in solution- and on solid-phase are described. Both olefins and ketones serve as precursors to these relatively stable chemical entities: olefins via a novel one-pot epoxidation, arylsulfonic acid displacemen...

  20. Seawater-driven forward osmosis for enriching nitrogen and phosphorous in treated municipal wastewater: effect of membrane properties and feed solution chemistry.

    Science.gov (United States)

    Xue, Wenchao; Tobino, Tomohiro; Nakajima, Fumiyuki; Yamamoto, Kazuo

    2015-02-01

    Seawater-driven forward osmosis (FO) is considered to be a novel strategy to concentrate nutrients in treated municipal wastewater for further recovery as well as simultaneous discharge of highly purified wastewater into the sea with low cost. As a preliminary test, the performance of FO membranes in concentrating nutrients was investigated by both batch experiments and model simulation approaches. With synthetic seawater as the draw solution, the dissolved organic carbon, phosphate, and ammonia in the effluent from a membrane bioreactor (MBR) treating municipal wastewater were 2.3-fold, 2.3-fold, and 2.1-fold, respectively, concentrated by the FO process with approximately 57% of water reduction. Most of the dissolved components, including trace metals in the MBR effluent, were highly retained (>80%) in the feed side, indicating high water quality of permeate to be discharged. The effect of membrane properties on the nutrient enrichment performance was investigated by comparing three types of FO membranes. Interestingly, a polyamide membrane possessing a high negative charge demonstrated a poor capability of retaining ammonia, which was hypothesized because of an ion exchange-like mechanism across the membrane prompted by the high ionic concentration of the draw solution. A feed solution pH of 7 was demonstrated to be an optimum condition for improving the overall retention of nutrients, especially for ammonia because of the pH-dependent speciation of ammonia/ammonium forms. The modeling results showed that higher than 10-fold concentrations of ammonia and phosphate are achievable by seawater-driven FO with a draw solution to feed solution volume ratio of 2:1. The enriched municipal wastewater contains nitrogen and phosphorous concentrations comparable with typical animal wastewater and anaerobic digestion effluent, which are used for direct nutrient recovery. Copyright © 2014 Elsevier Ltd. All rights reserved.

  1. The effect of reduced atmospheric deposition on soil and soil solution chemistry at a site subjected to long-term acidification, Nacetín, Czech Republic.

    Science.gov (United States)

    Oulehle, Filip; Hofmeister, Jenýk; Cudlín, Pavel; Hruska, Jakub

    2006-11-01

    During the 1990s the emissions of SO(2) fell dramatically by about 90% in the Czech Republic; the measured throughfall deposition of sulphur to a spruce forest at Nacetín in the Ore Mts. decreased from almost 50 kg ha(-1) in 1994 to 15 kg ha(-1) in 2005. The throughfall flux of Ca decreased from 17 kg ha(-1) in 1994 to 9 kg ha(-1) in 2005; no change was observed for Mg. The deposition of nitrogen ranged between 15 and 30 kg ha(-1) with no statistically significant trend in the period 1994-2005. The desorption of previously stored sulphur and the decrease of Ca deposition are the main factors controlling the recovery of soil solution. The pH of the soil solution at a depth of 30 cm remains unchanged, and the Al concentration decreased from 320 micromol l(-1) in 1997 to 140 micromol l(-1) in 2005. The enhanced leaching of base cations relative to no acidified conditions has continued, although the Ca concentration decreased from 110 microeq l(-1) in 1997 to 25 microeq l(-1) in 2005 in the mineral soil solution at 30 cm depth. This dramatic change was not observed for Mg concentration in soil solution, because its deposition remained stable during the observed period. Similar patterns were observed in the deeper soil solution at 90 cm. The reduction in Ca availability resulted in lower uptake by tree assimilatory tissues, measured as concentration in needles. Since 2005, the leaching of nitrate observed in soil solution at 30 cm depth has disappeared. By 2003 a similar situation occurred at 90 cm. Higher incorporation into the trees after 1997 could be an important factor. With respect to the formerly high sulphur deposition and consequently released aluminium, which could have negatively influenced the biotic immobilization driven by microbes and fungi, the recovery may have positively impacted and therefore improved retention in the ecosystem during recent years. The delay in the successful retention of nitrogen in the ecosystem was probably caused by the high

  2. Long term changes in atmospheric N and S throughfall deposition and effects on soil solution chemistry in a Scots pine forest in the Netherlands.

    Science.gov (United States)

    Boxman, Andries W; Peters, Roy C J H; Roelofs, Jan G M

    2008-12-01

    In a Scots pine forest the throughfall deposition and the chemical composition of the soil solution was monitored since 1984. (Inter)national legislation measures led to a reduction of the deposition of nitrogen and sulphur. The deposition of sulphur has decreased by approximately 65%. The total mineral-nitrogen deposition has decreased by ca. 25%, which is mainly due to a reduction in ammonium-N deposition (-40%), since nitrate-N deposition has increased (+50%). The nitrogen concentration in the upper mineral soil solution at 10 cm depth has decreased, leading to an improved nutritional balance, which may result in improved tree vitality. In the drainage water at 90 cm depth the fluxes of NO3(-) and SO4(2-) have decreased, resulting in a reduced leeching of accompanying base cations, thus preserving nutrients in the ecosystem. It may take still several years, however, before this will meet the prerequisite of a sustainable ecosystem.

  3. Effect of neutron irradiation on the cellular stage of Ni-Be alloy decomposition

    International Nuclear Information System (INIS)

    Larikov, L.N.; Borimskaya, S.T.

    1981-01-01

    Effects of neutron irradiation on the cellular stage of decomposition are investigated in deformed supersaturated solid solution Ni-1.92%Be by the X-ray structural and metallographic analyses. Radiation-initiated stimulation of the recovery properties in the deformed alloy and a lower rate of the cellular decomposition in irradiated samples are discovered [ru

  4. The effect of reduced atmospheric deposition on soil and soil solution chemistry at a site subjected to long-term acidification, Nacetin, Czech Republic

    Czech Academy of Sciences Publication Activity Database

    Oulehle, F.; Hofmeister, J.; Cudlín, Pavel; Hruška, J.

    2006-01-01

    Roč. 370, 2-3 (2006), s. 532-544 ISSN 0048-9697 R&D Projects: GA ČR(CZ) GA526/03/0058 Institutional research plan: CEZ:AV0Z60870520 Keywords : long-term monitoring Norway spruce * Recovery * Soil solution * Base cations * Nitrogen * Norway spruce Subject RIV: DD - Geochemistry Impact factor: 2.359, year: 2006

  5. Transpiration and film cooling boundary layer computer program. Volume 1: Numerical solutions of the turbulent boundary layer equations with equilibrium chemistry

    Science.gov (United States)

    Levine, J. N.

    1971-01-01

    A finite difference turbulent boundary layer computer program has been developed. The program is primarily oriented towards the calculation of boundary layer performance losses in rocket engines; however, the solution is general, and has much broader applicability. The effects of transpiration and film cooling as well as the effect of equilibrium chemical reactions (currently restricted to the H2-O2 system) can be calculated. The turbulent transport terms are evaluated using the phenomenological mixing length - eddy viscosity concept. The equations of motion are solved using the Crank-Nicolson implicit finite difference technique. The analysis and computer program have been checked out by solving a series of both laminar and turbulent test cases and comparing the results to data or other solutions. These comparisons have shown that the program is capable of producing very satisfactory results for a wide range of flows. Further refinements to the analysis and program, especially as applied to film cooling solutions, would be aided by the acquisition of a firm data base.

  6. Danburite decomposition by hydrochloric acid

    International Nuclear Information System (INIS)

    Mamatov, E.D.; Ashurov, N.A.; Mirsaidov, U.

    2011-01-01

    Present article is devoted to decomposition of danburite of Ak-Arkhar Deposit of Tajikistan by hydrochloric acid. The interaction of boron containing ores of Ak-Arkhar Deposit of Tajikistan with mineral acids, including hydrochloric acid was studied. The optimal conditions of extraction of valuable components from danburite composition were determined. The chemical composition of danburite of Ak-Arkhar Deposit was determined as well. The kinetics of decomposition of calcined danburite by hydrochloric acid was studied. The apparent activation energy of the process of danburite decomposition by hydrochloric acid was calculated.

  7. Chemistry management system for nuclear power plants

    International Nuclear Information System (INIS)

    Nagasawa, Katsumi; Maeda, Katsuji

    1998-01-01

    Recently, the chemistry management in the nuclear power plants has been changing from the problem solution to the predictive diagnosis and maintenance. It is important to maintain the integrity of plant operation by an adequate chemistry control. For these reasons, many plant operation data and chemistry analysis data should be collected and treated effectively to evaluate chemistry condition of the nuclear power plants. When some indications of chemistry anomalies occur, quick and effective root cause evaluation and countermeasures should be required. The chemistry management system has been developed as to provide sophisticate chemistry management in the nuclear power plants. This paper introduces the concept and functions of the chemistry management system for the nuclear power plants. (author)

  8. PWR secondary water chemistry guidelines

    International Nuclear Information System (INIS)

    Bell, M.J.; Blomgren, J.C.; Fackelmann, J.M.

    1982-10-01

    Steam generators in pressurized water reactor (PWR) nuclear power plants have experienced tubing degradation by a variety of corrosion-related mechanisms which depend directly on secondary water chemistry. As a result of this experience, the Steam Generator Owners Group and EPRI have sponsored a major program to provide solutions to PWR steam generator problems. This report, PWR Secondary Water Chemistry Guidelines, in addition to presenting justification for water chemistry control parameters, discusses available analytical methods, data management and surveillance, and the management philosophy required to successfully implement the guidelines

  9. Chemical physics of decomposition of energetic materials. Problems and prospects

    International Nuclear Information System (INIS)

    Smirnov, Lev P

    2004-01-01

    The review is concerned with analysis of the results obtained in the kinetic and mechanistic studies on decomposition of energetic materials (explosives, powders and solid propellants). It is shown that the state-of-the art in this field is inadequate to the potential of modern chemical kinetics and chemical physics. Unsolved problems are outlined and ways of their solution are proposed.

  10. Thermal decomposition of uranylnitrate by the Spray-Dryer process

    International Nuclear Information System (INIS)

    Wildhagen, G.R.S.; Silva, G.C. da

    1988-01-01

    The proposal of this work consist in the thermal decomposition of uranyl nitrate solutions by the Spray-Dryer process aiming the production of highly reactive fluidized UO 3 , adequate for the use in posterior of reduction to UO 2 and hydrofluorination to UF 4 , in a fluidized bed for the obtention of UF 6 in the cicle of nuclear fuels. (author) [pt

  11. Indoor Chemistry

    DEFF Research Database (Denmark)

    Weschler, Charles J.; Carslaw, Nicola

    2018-01-01

    This review aims to encapsulate the importance, ubiquity, and complexity of indoor chemistry. We discuss the many sources of indoor air pollutants and summarize their chemical reactions in the air and on surfaces. We also summarize some of the known impacts of human occupants, who act as sources...... and sinks of indoor chemicals, and whose activities (e.g., cooking, cleaning, smoking) can lead to extremely high pollutant concentrations. As we begin to use increasingly sensitive and selective instrumentation indoors, we are learning more about chemistry in this relatively understudied environment....

  12. Kitchen chemistry: A scoping review of the diversionary use of pharmaceuticals for non-medicinal use and home production of drug solutions.

    Science.gov (United States)

    Van Hout, Marie Claire

    2014-01-01

    Misuse of pharmaceuticals is of increasing drug policy and public health concern. A scoping review was conducted on the diversionary use of pharmaceuticals for non-medicinal use and home production of drug solutions. The research question was broad: What is known from the existing literature about the diversion of pharmaceuticals for non-medicinal use and for home production of drug solutions? The scoping process centred on the systematic selection, collection, and summarization of extant knowledge within this broad thematic remit. One hundred and thirty-four records were grouped into discrete thematic categories namely: non medicinal use and tampering with pharmaceuticals, oral misuse of codeine cough syrups, homemade drug solutions, and home-produced drug-related harms in the narrative review design. Forms of abuse of codeine cough syrup include mixtures with alcohol or soft drinks ('Purple Drank'), with kratom leaves ('Kratom cocktails'), or chemically altered to extract dextromorphan ('Lemon Drop'). Production of homemade opiates ('Cheornaya', 'Kolyosa', Himiya', 'Braun', 'Krokodil'), methamphetamine ('Vint', 'Pervitin'), methcathinone ('Jeff'), and cathinone ('Boltushka') are described. Displacement patterns between the non-medical use of pharmaceuticals, commercial, and homemade drugs appear dependent on availability of opiates, prescribing practices, supervision of substitution drug dosing, availability of cheap ingredients, policing, and awareness of harms. Adverse health and social consequences relate to the use of unknown and contaminated (end) substances, injecting practices, redosing, medical complications, and death. The review highlights a public health imperative requiring a multidisciplinary approach to quantify potential impact and required integrated policy responses incorporating international regulation, enforcement, health surveillance and service delivery. Copyright © 2014 John Wiley & Sons, Ltd.

  13. Thermodynamic anomaly in magnesium hydroxide decomposition

    International Nuclear Information System (INIS)

    Reis, T.A.

    1983-08-01

    The Origin of the discrepancy in the equilibrium water vapor pressure measurements for the reaction Mg(OH) 2 (s) = MgO(s) + H 2 O(g) when determined by Knudsen effusion and static manometry at the same temperature was investigated. For this reaction undergoing continuous thermal decomposition in Knudsen cells, Kay and Gregory observed that by extrapolating the steady-state apparent equilibrium vapor pressure measurements to zero-orifice, the vapor pressure was approx. 10 -4 of that previously established by Giauque and Archibald as the true thermodynamic equilibrium vapor pressure using statistical mechanical entropy calculations for the entropy of water vapor. This large difference in vapor pressures suggests the possibility of the formation in a Knudsen cell of a higher energy MgO that is thermodynamically metastable by about 48 kJ / mole. It has been shown here that experimental results are qualitatively independent of the type of Mg(OH) 2 used as a starting material, which confirms the inferences of Kay and Gregory. Thus, most forms of Mg(OH) 2 are considered to be the stable thermodynamic equilibrium form. X-ray diffraction results show that during the course of the reaction only the equilibrium NaCl-type MgO is formed, and no different phases result from samples prepared in Knudsen cells. Surface area data indicate that the MgO molar surface area remains constant throughout the course of the reaction at low decomposition temperatures, and no significant annealing occurs at less than 400 0 C. Scanning electron microscope photographs show no change in particle size or particle surface morphology. Solution calorimetric measurements indicate no inherent hgher energy content in the MgO from the solid produced in Knudsen cells. The Knudsen cell vapor pressure discrepancy may reflect the formation of a transient metastable MgO or Mg(OH) 2 -MgO solid solution during continuous thermal decomposition in Knudsen cells

  14. The chemistry of Pu in concentrated aqueous NaCl solution: Effects of alpha self-radiolysis and the interaction between hypochlorite and dioxoplutonium(VI)

    Energy Technology Data Exchange (ETDEWEB)

    Pashalidis, I. (Inst. fuer Radiochemie, TU Muenchen, Garching (Germany)); Kim, J.I. (Inst. fuer Radiochemie, TU Muenchen, Garching (Germany) Inst. fuer Nukleare Entsorgungstechnik, Kernforschungszentrum Karlsruhe (Germany)); Lierse, C. (Inst. fuer Radiochemie, TU Muenchen, Garching (Germany)); Sullivan, J.C. (Chemistry Div., Argonne National Lab., IL (United States))

    1993-01-01

    The reactions between dioxoplutonium(VI) and hypochlorite in aqueous solution produce the species PuO[sub 2](OH)(ClO) and PuO[sub 2](ClO)[sub 2]. The results of spectrophotometric observations are presented and the data used to calculate values of log K=14.0 at pH=6.7 and 14.5 at pH=8.4 for the former complex and a value of 10.3 for the latter. The possible participation of 6d orbitals in these reactions is noted. (orig.)

  15. NRSA enzyme decomposition model data

    Data.gov (United States)

    U.S. Environmental Protection Agency — Microbial enzyme activities measured at more than 2000 US streams and rivers. These enzyme data were then used to predict organic matter decomposition and microbial...

  16. Some nonlinear space decomposition algorithms

    Energy Technology Data Exchange (ETDEWEB)

    Tai, Xue-Cheng; Espedal, M. [Univ. of Bergen (Norway)

    1996-12-31

    Convergence of a space decomposition method is proved for a general convex programming problem. The space decomposition refers to methods that decompose a space into sums of subspaces, which could be a domain decomposition or a multigrid method for partial differential equations. Two algorithms are proposed. Both can be used for linear as well as nonlinear elliptic problems and they reduce to the standard additive and multiplicative Schwarz methods for linear elliptic problems. Two {open_quotes}hybrid{close_quotes} algorithms are also presented. They converge faster than the additive one and have better parallelism than the multiplicative method. Numerical tests with a two level domain decomposition for linear, nonlinear and interface elliptic problems are presented for the proposed algorithms.

  17. Titania and zirconia binary oxides as catalysts for total oxidation of ethyl acetate and methanol decomposition

    Czech Academy of Sciences Publication Activity Database

    Tsoncheva, T.; Mileva, A.; Issa, G.; Dimitrov, M.; Kovacheva, D.; Henych, Jiří; Kormunda, M.; Scotti, N.; Slušná, Michaela; Tolasz, Jakub; Štengl, Václav

    2018-01-01

    Roč. 6, č. 2 (2018), s. 2540-2550 ISSN 2213-3437 Grant - others:AV ČR(CZ) BAS-17-13 Program:Bilaterální spolupráce Institutional support: RVO:61388980 Keywords : Effect of preparation procedure * Ethyl acetate oxidation * Methanol decomposition * Titania-zirconia binary oxides Subject RIV: CA - Inorganic Chemistry OBOR OECD: Inorganic and nuclear chemistry

  18. High temperature performance and stability of Fe-FER catalyst for N2O decomposition

    Czech Academy of Sciences Publication Activity Database

    Sádovská, Galina; Tabor, Edyta; Sazama, Petr; Lhotka, M.; Bernauer, M.; Sobalík, Zdeněk

    2017-01-01

    Roč. 89, JAN 2017 (2017), s. 133-137 ISSN 1566-7367 R&D Projects: GA ČR(CZ) GA14-10251S; GA MŠk(CZ) LM2015073 Institutional support: RVO:61388955 Keywords : High temperature N2O decomposition * FER * Iron Subject RIV: CF - Physical ; Theoretical Chemistry OBOR OECD: Physical chemistry Impact factor: 3.330, year: 2016

  19. The slow birth of green chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Amato, I.

    1993-03-12

    Mainstream chemistry is beginning to look at environmental chemistry as an important solution to environmental problems. This can include research into developing cleaner-burning liquid fuels, cleaning up oil spills, or developing better process methods which engender less pollution, as opposed to previous practices of detecting pollutants without preventing their release to begin with. This article discusses the progress of this chemistry discipline, describes some of the ongoing research, and describes the future for environmental chemistry. An impetus for future growth will be generational change, as young scientists in training are beginning to push faculities into creating programs for environmental chemistry.

  20. Contributions to the chemistry of highly concentrated electrolyte solutions. XXXIX. Investigation of Be/sup 2 +/ complex formation by the method of molar volumes

    Energy Technology Data Exchange (ETDEWEB)

    Jedinakova, V [Vysoka Skola Chemicko-Technologicka, Prague (Czechoslovakia). Katedra Technologie Jadernych Paliv a Radiochemie

    1974-01-01

    The formation of aquo- and acido-complexes of the Be/sup 2 +/ ion in aqueous solutions of strong electrolytes was studied by densimetry. In all the systems studied, HClO/sub 4/, HNO/sub 3/, NaNO/sub 3/, KOH, Ca(ClO/sub 4/)/sub 2/, CaCl/sub 2/, the overall coordination number 4 was confirmed for the complex forms of the Be/sup 2 +/ ion. If BeSO/sub 4/ is used as the differential addition in a solvent not forming complexes, dissociation of the sulfate proceeds under the formation of the aquo-complex (Be(H/sub 2/O)/sub 4/)/sup 2 +/. If beryllium perchlorate is used, the Be/sup 2 +/ ion remains in that form, in which it is added to the solution (i.e. the complex form (Be(H/sub 2/O)/sub 2/(ClO/sub 4/)/sub 2/)), in the whole concentration range of the applied isomolar series Ca(ClO/sub 4/)/sub 2/-CaCl/sub 2/, NaClO/sub 4/-NaBr, and NaClO/sub 4/-NaI.

  1. The influence of surface incorporated lime and gypsiferous by-products on surface and subsurface soil acidity. I. Soil solution chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Wang, H.L.; Hedley, M.J.; Bolan, N.S.; Horne, D.J. [New Zealand Forest Research Institute, Rotorua (New Zealand)

    1999-04-01

    Lime, fluidised bed boiler ash (FBA) and flue gas desulfurisation gypsum (FGDG) were incorporated in the top 50 mm of repacked columns of either an Allophanic (the Patua sand loam) or an Ultic (the Kaawa clay loam) soil, at rates containing calcium equivalent to 5000 kg/ha of CaCO{sub 3}. After leaching with water, the columns were sliced into sections for chemical analysis. In the columns of the variable-charged, allophanic Patua soil, topsoil-incorporated FBA ameliorated top and subsurface soil acidity through liming and the `self liming effect` induced by sulfate sorption, respectively. The soil solution pH of the top and subsurface layers of the Patua soil were raised to pH 6.40 and 5.35, respectively, by the FBA treatment. Consequently , phytotoxic labile monomeric aluminium (Al) concentration in the soil solution of the FBA treatment was reduced to {lt} 0.1 {mu}M Al. FGDG had a similar `self-liming effect` on subsurface of the Patua soil, but not the topsoil. Whereas FBA raised the pH of the Kaawa topsoil, no `self-liming effect` of subsurface soil by sulfate sorption was observed on the Kaawa subsurface soil, which is dominated by permanently charged clay minerals. Application of FBA and FGDG to both soils, however, caused significantly leaching of native soil Mg{sup 2+} and K{sup +}.

  2. Control of As and Ni releases from a uranium mill tailings neutralization circuit: Solution chemistry, mineralogy and geochemical modeling of laboratory study results

    Energy Technology Data Exchange (ETDEWEB)

    Mahoney, John [MWH Americas, Inc., 1801 California Street, Denver, CO 80202 (United States)], E-mail: john.j.mahoney@mwhglobal.com; Slaughter, Maynard [Earth Science, University of Northern Colorado, Greeley, CO 80639 (United States); Langmuir, Donald [Hydrochem Systems Corp., P.O. Box 23257, Silverthorne, CO 80498 (United States); Rowson, John [AREVA Resources Canada Inc., P.O. Box 9204, Saskatoon, SK, S7K 3X5 (Canada)

    2007-12-15

    Processing U ores in the JEB Mill of the McClean Lake Operation in northern Saskatchewan produces spent leaching solutions (raffinates) with pH {<=} 1.5, and As and Ni concentrations up to 6800 and 5200 mg L{sup -1}, respectively. Bench-scale neutralization experiments (pH 2-8) were performed to help optimize the design of mill processes for reducing As and Ni concentrations in tailings and raffinates to {<=}1 mg L{sup -1} prior to their disposal. Precipitate mineralogy determined by chemical analysis, XRD, SEM, EM, XM and EXAFS methods, included gypsum (the dominant precipitate), poorly crystalline scorodite (precipitated esp. from pH 2-4), annabergite, hydrobasaluminite, ferrihydrite, green rust II and theophrastite. The As was mostly in scorodite with smaller amounts in annabergite and trace As adsorbed and/or co-precipitated, probably by ferrihydrite. Geochemical modeling indicated that above pH 2, the ion activity product (IAP) of scorodite lies between the solubility products of amorphous and crystalline phases (log K{sub sp} = -23.0 and -25.83, respectively). The IAP decreases with increasing pH, suggesting that the crystallinity of the scorodite increases with pH. Forward geochemical models support the assumption that during neutralization, particles of added base produce sharp local pH gradients and disequilibrium with bulk solutions, facilitating annabergite and theophrastite precipitation.

  3. Chemistry of Secondary Metabolites (Production, Properties, Biological Activity, etc.: Solubility Study of the Interaction between Pamam G-3 Dendrimer and 5 Fluorouracil in Aqueous Solution

    Directory of Open Access Journals (Sweden)

    B. PALECZ

    2014-06-01

    Full Text Available Poly(amidoamine dendrimers (PAMAM are polymeric macromolecules that can find their use as carriers of small ligand molecules such as cosmetics and drugs. 5- Fluorouracil is a potent oncological drug, whose usage is limited because of its relatively high toxicity.The surface and internal layer groups in PAMAM dendrimer belonging to the third (G3 generation create an open-type structure, which facilitate small ligand molecules to bind with them.The formation equilibrium of PAMAM G3 dendrimer complex with an oncologic drug such as 5 fluorouracil (FU in water at room temperature was examined. Using the results of the drug solubility in dendrimer solutions, the maximal number of drug molecules in the dendrimer-drug complex was evaluated. Solubility results show that PAMAM G3 dendrimer can transfer tens 5 fluorouracil molecules in aqueous solution.This research work was funded from the Polish budget appropriations for science in the years 2013-2015, project number IP2012 022372.

  4. Corrosion behaviour of reinforcements in a carbonaceous concrete: influence of the chemistry of the interstitial solution and of a transport barrier

    International Nuclear Information System (INIS)

    Huet, B.

    2005-10-01

    The phenomenon of steel reinforcements corrosion in a carbonaceous concrete is a many-sided process, little understood and of a great economical importance. The aim of this work is to identify, in condition of concrete carbonation, the corrosion mechanisms of reinforcements in order to anticipate the long term damage of the buildings. An analytical and experimental study has been carried out and has revealed two hypotheses. These ones consist to characterize the control of the corrosion velocity, either by the anodic reaction or by addition of an oxidant. The corrosion experiments in solution which represents the interstitial solution of a carbonaceous cement paste show that the evolution of the metal/medium interface is very sensitive to the species introduced in the medium during the carbonation process. The change of the ionic strength and of the sulfate and alkali metals concentrations are the main factors influencing the localization of the reactional areas, the nature of the phases formed at the interface as well as the corrosion velocities and their change with time. The evolution of the water saturation degree of the coating is the preponderant factor on the corrosion velocity. The analytical calculations and the experimental results show that for fixed hydrous conditions, the corrosion velocity in stationary conditions is negligible. The taking into account of transient conditions of transport as well as humidification and drying cycles is required for the long term anticipation of the damage of reinforced concrete buildings. (O.M.)

  5. Handbook of heterocyclic chemistry

    National Research Council Canada - National Science Library

    Katritzky, Alan R

    2010-01-01

    ... Heterocyclic Chemistry I (1984) Comprehensive Heterocyclic Chemistry II (1996) Comprehensive Heterocyclic Chemistry III (2008) Comprehensive Organic Functional Group Transformations I (1995) Compreh...

  6. The chemistry of plutonium revealed

    International Nuclear Information System (INIS)

    Connick, R.E.

    1990-01-01

    In 1941 one goal of the Manhattan Project was to unravel the chemistry of the synthetic element plutonium as rapidly as possible. Important insights were obtained from tracer experiments, but the full complexity of plutonium chemistry was not revealed until macroscopic amounts (milligrams) became available. Because processes for separation from fission products were aqueous solution based, such solution chemistry was emphasized, particularly precipitation and oxidation-reduction behavior. The latter turned out to be unusually intricate when it was discovered that two more oxidation states existed in aqueous solution than had previously been suspected. Further, it was found that an equilibrium was rapidly established among the four aqueous oxidation states while at the same time any three were not in equilibrium. These and other observations made while doing a crash study of a previously unknown element will be reported

  7. Reinventing Chemistry

    OpenAIRE

    Whitesides, George McClelland

    2015-01-01

    Chemistry is in a period of change, from an era focused on molecules and reactions, to one in which manipulations of systems of molecules and reactions will be essential parts of controlling larger systems. This Essay traces paths from the past to possible futures.

  8. Chemistry Notes

    Science.gov (United States)

    School Science Review, 1972

    1972-01-01

    Short articles on the kinetics of the hydrogen peroxide-iodide ion reaction, simulation of fluidization catalysis, the use of Newman projection diagrams to represent steric relationships in organic chemistry, the use of synthetic substrates for proteolytic enzyme reactions, and two simple clock reactions"--hydrolysis of halogenoalkanes and…

  9. Faddeev wave function decomposition using bipolar harmonics

    International Nuclear Information System (INIS)

    Friar, J.L.; Tomusiak, E.L.; Gibson, B.F.; Payne, G.L.

    1981-01-01

    The standard partial wave (channel) representation for the Faddeev solution to the Schroedinger equation for the ground state of 3 nucleons is written in terms of functions which couple the interacting pair and spectator angular momenta to give S, P, and D waves. For each such coupling there are three terms, one for each of the three cyclic permutations of the nucleon coordinates. A series of spherical harmonic identities is developed which allows writing the Faddeev solution in terms of a basis set of 5 bipolar harmonics: 1 for S waves; 1 for P waves; and 3 for D waves. The choice of a D-wave basis is largely arbitrary, and specific choices correspond to the decomposition schemes of Derrick and Blatt, Sachs, Gibson and Schiff, and Bolsterli and Jezak. The bipolar harmonic form greatly simplifies applications which utilize the wave function, and we specifically discuss the isoscalar charge (or mass) density and the 3 He Coulomb energy

  10. Spectral decomposition of MR spectroscopy signatures with use of eigenanalysis

    International Nuclear Information System (INIS)

    Hearshen, D.O.; Windham, J.P.; Roebuck, J.R.; Helpern, J.A.

    1989-01-01

    Partial-volume contamination and overlapping resonances are common problems in whole-body MR spectroscopy and can affect absolute or relative intensity and chemical-shift measurements. One technique, based on solution of constrained eigenvalue problems, treats spectra as N-dimensional signatures and minimizes contributions of undesired signatures while maximizing contributions of desired signatures in compromised spectra. Computer simulations and both high-resolution (400-MHz) and whole-body (63.8-MHz) phantom studies tested accuracy and reproducibility of spectral decomposition. Results demonstrated excellent decomposition and good reproducibility within certain constraints. The authors conclude that eigenanalysis may improve quantitation of spectra without introducing operator bias

  11. Rayleigh-Schrödinger series and Birkhoff decomposition

    Science.gov (United States)

    Novelli, Jean-Christophe; Paul, Thierry; Sauzin, David; Thibon, Jean-Yves

    2018-01-01

    We derive new expressions for the Rayleigh-Schrödinger series describing the perturbation of eigenvalues of quantum Hamiltonians. The method, somehow close to the so-called dimensional renormalization in quantum field theory, involves the Birkhoff decomposition of some Laurent series built up out of explicit fully non-resonant terms present in the usual expression of the Rayleigh-Schrödinger series. Our results provide new combinatorial formulae and a new way of deriving perturbation series in quantum mechanics. More generally we prove that such a decomposition provides solutions of general normal form problems in Lie algebras.

  12. Underlying chemistry research for the nuclear fuel waste management program

    International Nuclear Information System (INIS)

    Torgerson, D.F.; Sagert, N.H.; Shoesmith, D.W.; Taylor, P.

    1984-04-01

    This document reviews the underlying chemistry research part of the Canadian Nuclear Fuel Waste Management Program, carried out in the Research Chemistry Branch. This research is concerned with developing the basic chemical knowledge and under-standing required in other parts of the Program. There are four areas of underlying research: Waste Form Chemistry, Solute and Solution Chemistry, Rock-Water-Waste Interactions, and Abatement and Monitoring of Gas-Phase Radionuclides

  13. Cyanides: decomposition and determination

    International Nuclear Information System (INIS)

    Gilath, I.; Cohen, L.

    1977-08-01

    Different cyanide destruction methods such as electrolysis (with and without the addition of salt), hypochlorite treatment and ion exchange detoxication were evaluated on a laboratory scale using model solutions. Parameters were determined for the optimal operation of the investigated processes. Analytical methods were adapted for concentrations and compositions of interest. An easy and rapid method of complex cyanide breakdown by ion exchange treatment was developed for analytical purposes. (author)

  14. Real interest parity decomposition

    Directory of Open Access Journals (Sweden)

    Alex Luiz Ferreira

    2009-09-01

    Full Text Available The aim of this paper is to investigate the general causes of real interest rate differentials (rids for a sample of emerging markets for the period of January 1996 to August 2007. To this end, two methods are applied. The first consists of breaking the variance of rids down into relative purchasing power pariety and uncovered interest rate parity and shows that inflation differentials are the main source of rids variation; while the second method breaks down the rids and nominal interest rate differentials (nids into nominal and real shocks. Bivariate autoregressive models are estimated under particular identification conditions, having been adequately treated for the identified structural breaks. Impulse response functions and error variance decomposition result in real shocks as being the likely cause of rids.O objetivo deste artigo é investigar as causas gerais dos diferenciais da taxa de juros real (rids para um conjunto de países emergentes, para o período de janeiro de 1996 a agosto de 2007. Para tanto, duas metodologias são aplicadas. A primeira consiste em decompor a variância dos rids entre a paridade do poder de compra relativa e a paridade de juros a descoberto e mostra que os diferenciais de inflação são a fonte predominante da variabilidade dos rids; a segunda decompõe os rids e os diferenciais de juros nominais (nids em choques nominais e reais. Sob certas condições de identificação, modelos autorregressivos bivariados são estimados com tratamento adequado para as quebras estruturais identificadas e as funções de resposta ao impulso e a decomposição da variância dos erros de previsão são obtidas, resultando em evidências favoráveis a que os choques reais são a causa mais provável dos rids.

  15. The Adomian decomposition method for solving partial differential equations of fractal order in finite domains

    Energy Technology Data Exchange (ETDEWEB)

    El-Sayed, A.M.A. [Faculty of Science University of Alexandria (Egypt)]. E-mail: amasyed@hotmail.com; Gaber, M. [Faculty of Education Al-Arish, Suez Canal University (Egypt)]. E-mail: mghf408@hotmail.com

    2006-11-20

    The Adomian decomposition method has been successively used to find the explicit and numerical solutions of the time fractional partial differential equations. A different examples of special interest with fractional time and space derivatives of order {alpha}, 0<{alpha}=<1 are considered and solved by means of Adomian decomposition method. The behaviour of Adomian solutions and the effects of different values of {alpha} are shown graphically for some examples.

  16. Thermal decomposition of the Fe17 Sm2 N3 phase

    International Nuclear Information System (INIS)

    Cabral, F.A.O.; Gama, S.; Morais, E. de; Sanjurjo, N.L.; Ribeiro, C.A.

    1996-01-01

    We studied the high temperature decomposition mechanism for the Fe 17 Sm 2 N 3 phase using several different experimental techniques, as thermomagnetic and thermogravimetric analyses. Our results slow that the decomposition occurs in a two step scheme. In the first reaction we have the formation of Sm N and a solid solution of nitrogen in iron. In the second step, this solid solution degases, and we observe the evolution of nitrogen over a broad temperature range. (author)

  17. Adomian decomposition method for solving the telegraph equation in charged particle transport

    International Nuclear Information System (INIS)

    Abdou, M.A.

    2005-01-01

    In this paper, the analysis for the telegraph equation in case of isotropic small angle scattering from the Boltzmann transport equation for charged particle is presented. The Adomian decomposition is used to solve the telegraph equation. By means of MAPLE the Adomian polynomials of obtained series (ADM) solution have been calculated. The behaviour of the distribution function are shown graphically. The results reported in this article provide further evidence of the usefulness of Adomain decomposition for obtaining solution of linear and nonlinear problems

  18. The retained templates as "helpers" for the spherical meso-silica in adsorption of heavy metals and impacts of solution chemistry.

    Science.gov (United States)

    Liang, Zhijie; Shi, Wenxin; Zhao, Zhiwei; Sun, Tianyi; Cui, Fuyi

    2017-06-15

    The spherical mesoporous silica (meso-silica) MCM-41 and those with different dosage of the retained templates were prepared and characterized. Particularly, effects of the retained template and its dosage on the adsorption of typical heavy metals (Cu 2+ and Cd 2+ ) in the synthesized materials were investigated. The results indicated that the retained templates acted as "helpers" for the adsorption of Cu 2+ and Cd 2+ in the spherical meso-silica MCM-41, and the maximum adsorption capacities (Q max ) increased with the increase of the retained template dosage. The interaction between the metal ions and the cationic heads of the templates contributed to the enhancement effect due to the anions (Cl - and OH - ) electronically adsorbed on the interface of the template micelles. Additionally, the presented results indicated that the adsorption of Cu 2+ and Cd 2+ depended on pH and high ion strength of the solution but not on the coexisted humic acid. Copyright © 2017 Elsevier Inc. All rights reserved.

  19. Effect of Promoters in Co-Mn-Al Mixed Oxide Catalyst on N2O Decomposition

    Czech Academy of Sciences Publication Activity Database

    Karásková, K.; Obalová, L.; Jirátová, Květa; Kovanda, F.

    2010-01-01

    Roč. 160, č. 2 (2010), s. 480-487 ISSN 1385-8947 R&D Projects: GA ČR GA106/09/1664 Institutional research plan: CEZ:AV0Z40720504 Keywords : nitrous oxide * catalytic decomposition * promoter effect Subject RIV: CI - Industrial Chemistry, Chemical Engineering Impact factor: 3.074, year: 2010

  20. N2O Catalytic Decomposition – from Laboratory Experiment to Industry Reactor

    Czech Academy of Sciences Publication Activity Database

    Obalová, L.; Jirátová, Květa; Karásková, K.; Chromčáková, Ž.

    2012-01-01

    Roč. 191, č. 1 (2012), s. 116-120 ISSN 0920-5861 R&D Projects: GA TA ČR TA01020336 Institutional support: RVO:67985858 Keywords : N2O * catalytic decomposition * fixed bed reactor Subject RIV: CI - Industrial Chemistry, Chemical Engineering Impact factor: 2.980, year: 2012

  1. Thermal Decomposition of Sodium Hydrogen Carbonate and Textural Features of Its Calcines

    Czech Academy of Sciences Publication Activity Database

    Hartman, Miloslav; Svoboda, Karel; Pohořelý, Michael; Šyc, Michal

    2013-01-01

    Roč. 52, č. 31 (2013), s. 10619-10626 ISSN 0888-5885 R&D Projects: GA MŠk(CZ) 7C11009 Grant - others:RFCS(XE) RFCR-CT-2010-00009 Institutional support: RVO:67985858 Keywords : thermal decomposition * sodium hydrogen carbonate * sodium bicarbonate Subject RIV: CI - Industrial Chemistry, Chemical Engineering Impact factor: 2.235, year: 2013

  2. Decomposition of size-exclusion chromatography elution curves of complex branched polymers

    Czech Academy of Sciences Publication Activity Database

    Netopilík, Miloš; Janata, Miroslav

    2014-01-01

    Roč. 1330, 21 February (2014), s. 14-19 ISSN 0021-9673 R&D Projects: GA ČR GCP205/11/J043 Institutional support: RVO:61389013 Keywords : size-exclusion chromatography * triple detection * curve decomposition Subject RIV: CD - Macromolecular Chemistry Impact factor: 4.169, year: 2014

  3. Chemistry and physics

    International Nuclear Information System (INIS)

    Broerse, J.J.; Barendsen, G.W.; Kal, H.B.; Kogel, A.J. van der

    1983-01-01

    This book contains the extended abstracts of the contributions of the poster workshop sessions on chemistry and physics of the 7th international congress of radiation research. They cover the following main topics: primary processes in radiation physics and chemistry, general chemistry in radiation chemistry, DNA and model systems in radiation chemistry, molecules of biological interest in radiation chemistry, techniques in radiation chemistry, hot atom chemistry. refs.; figs.; tabs

  4. Fine chemistry

    International Nuclear Information System (INIS)

    Laszlo, P.

    1988-01-01

    The 1988 progress report of the Fine Chemistry laboratory (Polytechnic School, France) is presented. The research programs are centered on the renewal of the organic chemistry most important reactions and on the invention of new, highly efficient and highly selective reactions, by applying low cost reagents and solvents. An important research domain concerns the study and fabrication of new catalysts. They are obtained by means of the reactive sputtering of the metals and metal oxydes thin films. The Monte Carlo simulations of the long-range electrostatic interaction in a clay and the obtention of acrylamides from anhydrous or acrylic ester are summarized. Moreover, the results obtained in the field of catalysis are also given. The published papers and the congress communications are included [fr

  5. Radioanalytical chemistry

    International Nuclear Information System (INIS)

    1982-01-01

    The bibliography of Hungarian literature in the field of radioanalytical chemistry covers the four-year period 1976-1979. The list of papers contains 290 references in the alphabetical order of the first authors. The majority of the titles belongs to neutron activation analysis, labelling, separation and determination of radioactive isotopes. Other important fields like radioimmunoassay, environmental protection etc. are covered as well. (Sz.J.)

  6. Analytical chemistry

    International Nuclear Information System (INIS)

    Anon.

    1985-01-01

    The division for Analytical Chemistry continued to try and develope an accurate method for the separation of trace amounts from mixtures which, contain various other elements. Ion exchange chromatography is of special importance in this regard. New separation techniques were tried on certain trace amounts in South African standard rock materials and special ceramics. Methods were also tested for the separation of carrier-free radioisotopes from irradiated cyclotron discs

  7. Industrial chemistry engineering

    International Nuclear Information System (INIS)

    1993-01-01

    This book on industrial chemistry engineering is divided in two parts. The first part deals with industrial chemistry, inorganic industrial chemistry, organic industrial chemistry, analytical chemistry and practical questions. The last parts explain the chemical industry, a unit parts and thermodynamics in chemical industry and reference. It reveals the test subjects for the industrial chemistry engineering with a written examination and practical skill.

  8. Green chemistry

    International Nuclear Information System (INIS)

    Warner, John C.; Cannon, Amy S.; Dye, Kevin M.

    2004-01-01

    A grand challenge facing government, industry, and academia in the relationship of our technological society to the environment is reinventing the use of materials. To address this challenge, collaboration from an interdisciplinary group of stakeholders will be necessary. Traditionally, the approach to risk management of materials and chemicals has been through inerventions intended to reduce exposure to materials that are hazardous to health and the environment. In 1990, the Pollution Prevention Act encouraged a new tact-elimination of hazards at the source. An emerging approach to this grand challenge seeks to embed the diverse set of environmental perspectives and interests in the everyday practice of the people most responsible for using and creating new materials--chemists. The approach, which has come to be known as Green Chemistry, intends to eliminate intrinsic hazard itself, rather than focusing on reducing risk by minimizing exposure. This chapter addresses the representation of downstream environmental stakeholder interests in the upstream everyday practice that is reinventing chemistry and its material inputs, products, and waste as described in the '12 Principles of Green Chemistry'

  9. Proper generalized decompositions an introduction to computer implementation with Matlab

    CERN Document Server

    Cueto, Elías; Alfaro, Icíar

    2016-01-01

    This book is intended to help researchers overcome the entrance barrier to Proper Generalized Decomposition (PGD), by providing a valuable tool to begin the programming task. Detailed Matlab Codes are included for every chapter in the book, in which the theory previously described is translated into practice. Examples include parametric problems, non-linear model order reduction and real-time simulation, among others. Proper Generalized Decomposition (PGD) is a method for numerical simulation in many fields of applied science and engineering. As a generalization of Proper Orthogonal Decomposition or Principal Component Analysis to an arbitrary number of dimensions, PGD is able to provide the analyst with very accurate solutions for problems defined in high dimensional spaces, parametric problems and even real-time simulation. .

  10. Nitrogen deposition does not enhance Sphagnum decomposition.

    Science.gov (United States)

    Manninen, S; Kivimäki, S; Leith, I D; Leeson, S R; Sheppard, L J

    2016-11-15

    Long-term additions of nitrogen (N) to peatlands have altered bryophyte growth, species dominance, N content in peat and peat water, and often resulted in enhanced Sphagnum decomposition rate. However, these results have mainly been derived from experiments in which N was applied as ammonium nitrate (NH4NO3), neglecting the fact that in polluted areas, wet deposition may be dominated either by NO3(-) or NH4(+). We studied effects of elevated wet deposition of NO3(-) vs. NH4(+) alone (8 or 56kgNha(-1)yr(-1) over and above the background of 8kgNha(-1)yr(-1) for 5 to 11years) or combined with phosphorus (P) and potassium (K) on Sphagnum quality for decomposers, mass loss, and associated changes in hummock pore water in an ombrotrophic bog (Whim). Adding N, especially as NH4(+), increased N concentration in Sphagnum, but did not enhance mass loss from Sphagnum. Mass loss seemed to depend mainly on moss species and climatic factors. Only high applications of N affected hummock pore water chemistry, which varied considerably over time. Overall, C and N cycling in this N treated bog appeared to be decoupled. We conclude that moss species, seasonal and annual variation in climatic factors, direct negative effects of N (NH4(+) toxicity) on Sphagnum production, and indirect effects (increase in pH and changes in plant species dominance under elevated NO3(-) alone and with PK) drive Sphagnum decomposition and hummock C and N dynamics at Whim. Copyright © 2016 Elsevier B.V. All rights reserved.

  11. Thermal decomposition of hydroxylamine: Isoperibolic calorimetric measurements at different conditions

    International Nuclear Information System (INIS)

    Adamopoulou, Theodora; Papadaki, Maria I.; Kounalakis, Manolis; Vazquez-Carreto, Victor; Pineda-Solano, Alba; Wang, Qingsheng; Mannan, M.Sam

    2013-01-01

    Highlights: • Hydroxylamine thermal decomposition enthalpy was measured using larger quantities. • The rate at which heat is evolved depends on hydroxylamine concentration. • Decomposition heat is strongly affected by the conditions and the selected baseline. • The need for enthalpy measurements using a larger reactant mass is pinpointed. • Hydroxylamine decomposition in the presence of argon is much faster than in air. -- Abstract: Thermal decomposition of hydroxylamine, NH 2 OH, was responsible for two serious accidents. However, its reactive behavior and the synergy of factors affecting its decomposition are not being understood. In this work, the global enthalpy of hydroxylamine decomposition has been measured in the temperature range of 130–150 °C employing isoperibolic calorimetry. Measurements were performed in a metal reactor, employing 30–80 ml solutions containing 1.4–20 g of pure hydroxylamine (2.8–40 g of the supplied reagent). The measurements showed that increased concentration or temperature, results in higher global enthalpies of reaction per unit mass of reactant. At 150 °C, specific enthalpies as high as 8 kJ per gram of hydroxylamine were measured, although in general they were in the range of 3−5 kJ g −1 . The accurate measurement of the generated heat was proven to be a cumbersome task as (a) it is difficult to identify the end of decomposition, which after a fast initial stage, proceeds very slowly, especially at lower temperatures and (b) the environment of gases affects the reaction rate

  12. Thermal decomposition of hydroxylamine: Isoperibolic calorimetric measurements at different conditions

    Energy Technology Data Exchange (ETDEWEB)

    Adamopoulou, Theodora [Department of Environmental and Natural Resources Management, University of Western Greece (formerly of University of Ioannina), Seferi 2, Agrinio GR30100 (Greece); Papadaki, Maria I., E-mail: mpapadak@cc.uoi.gr [Department of Environmental and Natural Resources Management, University of Western Greece (formerly of University of Ioannina), Seferi 2, Agrinio GR30100 (Greece); Kounalakis, Manolis [Department of Environmental and Natural Resources Management, University of Western Greece (formerly of University of Ioannina), Seferi 2, Agrinio GR30100 (Greece); Vazquez-Carreto, Victor; Pineda-Solano, Alba [Mary Kay O’Connor Process Safety Center, Artie McFerrin Department of Chemical Engineering, Texas A and M University, College Station, TX 77843 (United States); Wang, Qingsheng [Department of Fire Protection and Safety and Department of Chemical Engineering, Oklahoma State University, 494 Cordell South, Stillwater, OK 74078 (United States); Mannan, M.Sam [Mary Kay O’Connor Process Safety Center, Artie McFerrin Department of Chemical Engineering, Texas A and M University, College Station, TX 77843 (United States)

    2013-06-15

    Highlights: • Hydroxylamine thermal decomposition enthalpy was measured using larger quantities. • The rate at which heat is evolved depends on hydroxylamine concentration. • Decomposition heat is strongly affected by the conditions and the selected baseline. • The need for enthalpy measurements using a larger reactant mass is pinpointed. • Hydroxylamine decomposition in the presence of argon is much faster than in air. -- Abstract: Thermal decomposition of hydroxylamine, NH{sub 2}OH, was responsible for two serious accidents. However, its reactive behavior and the synergy of factors affecting its decomposition are not being understood. In this work, the global enthalpy of hydroxylamine decomposition has been measured in the temperature range of 130–150 °C employing isoperibolic calorimetry. Measurements were performed in a metal reactor, employing 30–80 ml solutions containing 1.4–20 g of pure hydroxylamine (2.8–40 g of the supplied reagent). The measurements showed that increased concentration or temperature, results in higher global enthalpies of reaction per unit mass of reactant. At 150 °C, specific enthalpies as high as 8 kJ per gram of hydroxylamine were measured, although in general they were in the range of 3−5 kJ g{sup −1}. The accurate measurement of the generated heat was proven to be a cumbersome task as (a) it is difficult to identify the end of decomposition, which after a fast initial stage, proceeds very slowly, especially at lower temperatures and (b) the environment of gases affects the reaction rate.

  13. Radiolytic decomposition of pesticide carbendazim in waters and wastes for environmental protection

    International Nuclear Information System (INIS)

    Bojanowska-Czajka, A.; Drzewicz, P.; Meczynska, S.; Kruszewski, M.; Zimek, Z.; Nichipor, H.; Galezowska, A.; Nalecz-Jawecki, G.; Trojanowicz, M.; Warsaw University, Warsaw

    2011-01-01

    The radiolytic degradation of widely used fungicide, carbendazim, in synthetic aqueous solutions and industrial wastewater was investigated employing γ-irradiation. The effect of the absorbed dose, initial concentration and pH of irradiated solution on the effectiveness of carbendazim decomposition were investigated. Decomposition of carbendazim in 100 μM concentration in synthetic aqueous solutions required irradiation with 600 Gy dose. The aqueous solutions of carbendazim have been irradiated in different conditions, where particular active radical species from water radiolysis predominate. The obtained data have been compared with the kinetic modeling. The reversed-phase high-performance liquid chromatography was used for the determination of carbendazim and its radiolytic decomposition products in irradiated solutions. The changes of toxicity of irradiated solutions were examined with different test organisms and human leukemia cells. (author)

  14. Radiolysis of spray solutions

    International Nuclear Information System (INIS)

    Habersbergerova, A.; Janovsky, I.

    1985-01-01

    The factors were studied affecting thiosulfate radiolysis in the so-called spray solution for nuclear power plant containments. The reaction mechanism of primary radiolytic reactions leading to thiosulfate decomposition was studied using pulse radiolysis. Also measured was hydrazine loss in the irradiation of the bubbling solution intended for the capture of volatile chemical forms of radioiodine. Pulse radiolysis was used to study the kinetics of hydrazine reaction with elemental iodine. (author)

  15. Promoting sustainability through green chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Kirchhoff, Mary M. [American Chemical Society, 1155 Sixteenth Street, NW, Washington, DC 20036 (United States)

    2005-06-15

    Green chemistry is an important tool in achieving sustainability. The implementation of green chemistry, the design of chemical products and processes that reduce or eliminate the use and generation of hazardous substances, is essential if the expanding global population is to enjoy an increased standard of living without having a negative impact on the health of the planet. Cleaner technologies will allow the chemical enterprise to provide society with the goods and services on which it depends in an environmentally responsible manner. Green chemistry provides solutions to such global challenges as climate change, sustainable agriculture, energy, toxics in the environment, and the depletion of natural resources. A collaborative effort by industry, academia, and government is needed to promote the adoption of the green chemistry technologies necessary to achieve a sustainable society.

  16. On the hadron mass decomposition

    Science.gov (United States)

    Lorcé, Cédric

    2018-02-01

    We argue that the standard decompositions of the hadron mass overlook pressure effects, and hence should be interpreted with great care. Based on the semiclassical picture, we propose a new decomposition that properly accounts for these pressure effects. Because of Lorentz covariance, we stress that the hadron mass decomposition automatically comes along with a stability constraint, which we discuss for the first time. We show also that if a hadron is seen as made of quarks and gluons, one cannot decompose its mass into more than two contributions without running into trouble with the consistency of the physical interpretation. In particular, the so-called quark mass and trace anomaly contributions appear to be purely conventional. Based on the current phenomenological values, we find that in average quarks exert a repulsive force inside nucleons, balanced exactly by the gluon attractive force.

  17. On the hadron mass decomposition

    Energy Technology Data Exchange (ETDEWEB)

    Lorce, Cedric [Universite Paris-Saclay, Centre de Physique Theorique, Ecole Polytechnique, CNRS, Palaiseau (France)

    2018-02-15

    We argue that the standard decompositions of the hadron mass overlook pressure effects, and hence should be interpreted with great care. Based on the semiclassical picture, we propose a new decomposition that properly accounts for these pressure effects. Because of Lorentz covariance, we stress that the hadron mass decomposition automatically comes along with a stability constraint, which we discuss for the first time. We show also that if a hadron is seen as made of quarks and gluons, one cannot decompose its mass into more than two contributions without running into trouble with the consistency of the physical interpretation. In particular, the so-called quark mass and trace anomaly contributions appear to be purely conventional. Based on the current phenomenological values, we find that in average quarks exert a repulsive force inside nucleons, balanced exactly by the gluon attractive force. (orig.)

  18. Modelling electric discharge chemistry

    International Nuclear Information System (INIS)

    McFarlane, J.; Wren, J.C.

    1991-07-01

    The chemistry occurring in a electric discharge was modelled to predict how it would be influenced by discharge conditions. The discharge was characterized by a calculated Boltzmann electron-energy distribution, from which rate constants for electron-molecule processes in air were determined. These rate constants were used in a chemical kinetics calculation that also included reactions between neutral molecules, ions, free radicals and electronically excited species. The model describes how the discharge chemistry was influenced by humidity, electric field, electron number density, and concentrations of key reagents identified in the study. The use of an electric discharge to destroy airborne contaminant molecules was appraised, the targeted contaminants being CF 2 Cl 2 , HCN, and SO 2 . The modelling results indicate that an electric discharge should be able to remove HCN and CF 2 Cl 2 effectively, especially if the discharge conditions have been optimized. Effective destruction is achieved with a moderate electric field (over 1 x 10 -15 V.cm 2 ), a substantial electron number density (over 1 x 10 12 cm -3 ), and the presence of H 2 0 in the process air. The residence time in the discharge was also shown to be important in contaminant destruction. An attempt was made to explain the results of the electric discharge abatement of SO 2 , a component of a simulated flue-gas mixture. Results from the model indicate that the discharge parameters that increase the concentration of hydroxyl radical also increase the rate of decomposition of SO 2 . An objective of the study was to explain the apparent enhancement of SO 2 destruction by the presence of a small amount of NO 2 . It was thought that a likely explanation would be the stabilization of HOSO 2 , an important intermediate in the oxidation of SO 2 by NO 2 . (49 figs., 14 tabs., 75 refs.)

  19. Abstract decomposition theorem and applications

    CERN Document Server

    Grossberg, R; Grossberg, Rami; Lessmann, Olivier

    2005-01-01

    Let K be an Abstract Elementary Class. Under the asusmptions that K has a nicely behaved forking-like notion, regular types and existence of some prime models we establish a decomposition theorem for such classes. The decomposition implies a main gap result for the class K. The setting is general enough to cover \\aleph_0-stable first-order theories (proved by Shelah in 1982), Excellent Classes of atomic models of a first order tehory (proved Grossberg and Hart 1987) and the class of submodels of a large sequentially homogenuus \\aleph_0-stable model (which is new).

  20. Pretreatment of lignocellulosic biomass using Fenton chemistry

    Science.gov (United States)

    Pretreatment is a necessary step in “biomass to biofuel conversion” due to the recalcitrant nature of lignocellulosic biomass. White-rot fungi utilize peroxidases and hydrogen peroxide (in vivo Fenton chemistry) to degrade lignin. In an attempt to mimic this process, solution phase Fenton chemistry ...

  1. Global sensitivity analysis by polynomial dimensional decomposition

    Energy Technology Data Exchange (ETDEWEB)

    Rahman, Sharif, E-mail: rahman@engineering.uiowa.ed [College of Engineering, The University of Iowa, Iowa City, IA 52242 (United States)

    2011-07-15

    This paper presents a polynomial dimensional decomposition (PDD) method for global sensitivity analysis of stochastic systems subject to independent random input following arbitrary probability distributions. The method involves Fourier-polynomial expansions of lower-variate component functions of a stochastic response by measure-consistent orthonormal polynomial bases, analytical formulae for calculating the global sensitivity indices in terms of the expansion coefficients, and dimension-reduction integration for estimating the expansion coefficients. Due to identical dimensional structures of PDD and analysis-of-variance decomposition, the proposed method facilitates simple and direct calculation of the global sensitivity indices. Numerical results of the global sensitivity indices computed for smooth systems reveal significantly higher convergence rates of the PDD approximation than those from existing methods, including polynomial chaos expansion, random balance design, state-dependent parameter, improved Sobol's method, and sampling-based methods. However, for non-smooth functions, the convergence properties of the PDD solution deteriorate to a great extent, warranting further improvements. The computational complexity of the PDD method is polynomial, as opposed to exponential, thereby alleviating the curse of dimensionality to some extent.

  2. Thermal decomposition of biphenyl (1963); Decomposition thermique du biphenyle (1963)

    Energy Technology Data Exchange (ETDEWEB)

    Clerc, M [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1962-06-15

    The rates of formation of the decomposition products of biphenyl; hydrogen, methane, ethane, ethylene, as well as triphenyl have been measured in the vapour and liquid phases at 460 deg. C. The study of the decomposition products of biphenyl at different temperatures between 400 and 460 deg. C has provided values of the activation energies of the reactions yielding the main products of pyrolysis in the vapour phase. Product and Activation energy: Hydrogen 73 {+-} 2 kCal/Mole; Benzene 76 {+-} 2 kCal/Mole; Meta-triphenyl 53 {+-} 2 kCal/Mole; Biphenyl decomposition 64 {+-} 2 kCal/Mole; The rate of disappearance of biphenyl is only very approximately first order. These results show the major role played at the start of the decomposition by organic impurities which are not detectable by conventional physico-chemical analysis methods and the presence of which accelerates noticeably the decomposition rate. It was possible to eliminate these impurities by zone-melting carried out until the initial gradient of the formation curves for the products became constant. The composition of the high-molecular weight products (over 250) was deduced from the mean molecular weight and the dosage of the aromatic C - H bonds by infrared spectrophotometry. As a result the existence in tars of hydrogenated tetra, penta and hexaphenyl has been demonstrated. (author) [French] Les vitesses de formation des produits de decomposition du biphenyle: hydrogene, methane, ethane, ethylene, ainsi que des triphenyles, ont ete mesurees en phase vapeur et en phase liquide a 460 deg. C. L'etude des produits de decomposition du biphenyle a differentes temperatures comprises entre 400 et 460 deg. C, a fourni les valeurs des energies d'activation des reactions conduisant aux principaux produits de la pyrolyse en phase vapeur. Produit et Energie d'activation: Hydrogene 73 {+-} 2 kcal/Mole; Benzene 76 {+-} 2 kcal/Mole; Metatriphenyle, 53 {+-} 2 kcal/Mole; Decomposition du biphenyle 64 {+-} 2 kcal/Mole; La

  3. Principles of quantum chemistry

    CERN Document Server

    George, David V

    2013-01-01

    Principles of Quantum Chemistry focuses on the application of quantum mechanics in physical models and experiments of chemical systems.This book describes chemical bonding and its two specific problems - bonding in complexes and in conjugated organic molecules. The very basic theory of spectroscopy is also considered. Other topics include the early development of quantum theory; particle-in-a-box; general formulation of the theory of quantum mechanics; and treatment of angular momentum in quantum mechanics. The examples of solutions of Schroedinger equations; approximation methods in quantum c

  4. Theoretical chemistry periodicities in chemistry and biology

    CERN Document Server

    Eyring, Henry

    1978-01-01

    Theoretical Chemistry: Periodicities in Chemistry and Biology, Volume 4 covers the aspects of theoretical chemistry. The book discusses the stably rotating patterns of reaction and diffusion; the chemistry of inorganic systems exhibiting nonmonotonic behavior; and population cycles. The text also describes the mathematical modeling of excitable media in neurobiology and chemistry; oscillating enzyme reactions; and oscillatory properties and excitability of the heart cell membrane. Selected topics from the theory of physico-chemical instabilities are also encompassed. Chemists, mechanical engin

  5. The aqueous chemistry of oxides

    CERN Document Server

    Bunker, Bruce C

    2016-01-01

    The Aqueous Chemistry of Oxides is a comprehensive reference volume and special topics textbook that explores all of the major chemical reactions that take place between oxides and aqueous solutions. The book highlights the enormous impact that oxide-water reactions have in advanced technologies, materials science, geochemistry, and environmental science.

  6. A Comprehensive General Chemistry Demonstration

    Science.gov (United States)

    Sweeder, Ryan D.; Jeffery, Kathleen A.

    2013-01-01

    This article describes the use of a comprehensive demonstration suitable for a high school or first-year undergraduate introductory chemistry class. The demonstration involves placing a burning candle in a container adjacent to a beaker containing a basic solution with indicator. After adding a lid, the candle will extinguish and the produced…

  7. Visualizing Chemistry: Investigations for Teachers.

    Science.gov (United States)

    Ealy, Julie B.; Ealy, James L., Jr.

    This book contains 101 investigations for chemistry classrooms. Topics include: (1) Physical Properties; (2) Reactions of Some Elements; (3) Reactions Involving Gases; (4) Energy Changes; (5) Solutions and Solubility; (6) Transition Metals and Complex Ions; (7) Kinetics and Equilibrium; (8) Acids and Bases; (9) Oxidation-Reduction; (10)…

  8. Interstellar chemistry.

    Science.gov (United States)

    Klemperer, William

    2006-08-15

    In the past half century, radioastronomy has changed our perception and understanding of the universe. In this issue of PNAS, the molecular chemistry directly observed within the galaxy is discussed. For the most part, the description of the molecular transformations requires specific kinetic schemes rather than chemical thermodynamics. Ionization of the very abundant molecular hydrogen and atomic helium followed by their secondary reactions is discussed. The rich variety of organic species observed is a challenge for complete understanding. The role and nature of reactions involving grain surfaces as well as new spectroscopic observations of interstellar and circumstellar regions are topics presented in this special feature.

  9. Measurement of the energy dependence of X-ray-induced decomposition of potassium chlorate.

    Science.gov (United States)

    Pravica, Michael; Bai, Ligang; Sneed, Daniel; Park, Changyong

    2013-03-21

    We report the first measurements of the X-ray induced decomposition of KClO3 as a function of energy in two experiments. KClO3 was pressurized to 3.5 GPa and irradiated with monochromatic synchrotron X-rays ranging in energy from 15 to 35 keV in 5 keV increments. A systematic increase in the decomposition rate as the energy was decreased was observed, which agrees with the 1/E(3) trend for the photoelectric process, except at the lowest energy studied. A second experiment was performed to access lower energies (10 and 12 keV) using a beryllium gasket; suggesting an apparent resonance near 15 keV or 0.83 Ǻ maximizing the chemical decomposition rate. A third experiment was performed using KIO3 to ascertain the anionic dependence of the decomposition rate, which was observed to be far slower than in KClO3, suggesting that the O-O distance is the critical factor in chemical reactions. These results will be important for more efficiently initiating chemical decomposition in materials using selected X-ray wavelengths that maximize decomposition to aid useful hard X-ray-induced chemistry and contribute understanding of the mechanism of X-ray-induced decomposition of the chlorates.

  10. Recollections of the maturation of radiation chemistry

    International Nuclear Information System (INIS)

    Dainton, F.S.

    1989-01-01

    In this paper the background to the study of the identification of primary species in irradiated aqueous solutions is presented. Theoretical aspects are discussed. The radiation chemistry of glossy and crystalline solids is briefly discussed. (UK)

  11. Lie bialgebras with triangular decomposition

    International Nuclear Information System (INIS)

    Andruskiewitsch, N.; Levstein, F.

    1992-06-01

    Lie bialgebras originated in a triangular decomposition of the underlying Lie algebra are discussed. The explicit formulas for the quantization of the Heisenberg Lie algebra and some motion Lie algebras are given, as well as the algebra of rational functions on the quantum Heisenberg group and the formula for the universal R-matrix. (author). 17 refs

  12. Probability inequalities for decomposition integrals

    Czech Academy of Sciences Publication Activity Database

    Agahi, H.; Mesiar, Radko

    2017-01-01

    Roč. 315, č. 1 (2017), s. 240-248 ISSN 0377-0427 Institutional support: RVO:67985556 Keywords : Decomposition integral * Superdecomposition integral * Probability inequalities Subject RIV: BA - General Mathematics OBOR OECD: Statistics and probability Impact factor: 1.357, year: 2016 http://library.utia.cas.cz/separaty/2017/E/mesiar-0470959.pdf

  13. Thermal decomposition of ammonium hexachloroosmate

    DEFF Research Database (Denmark)

    Asanova, T I; Kantor, Innokenty; Asanov, I. P.

    2016-01-01

    Structural changes of (NH4)2[OsCl6] occurring during thermal decomposition in a reduction atmosphere have been studied in situ using combined energy-dispersive X-ray absorption spectroscopy (ED-XAFS) and powder X-ray diffraction (PXRD). According to PXRD, (NH4)2[OsCl6] transforms directly to meta...

  14. Generalized Benders’ Decomposition for topology optimization problems

    DEFF Research Database (Denmark)

    Munoz Queupumil, Eduardo Javier; Stolpe, Mathias

    2011-01-01

    ) problems with discrete design variables to global optimality. We present the theoretical aspects of the method, including a proof of finite convergence and conditions for obtaining global optimal solutions. The method is also linked to, and compared with, an Outer-Approximation approach and a mixed 0......–1 semi definite programming formulation of the considered problem. Several ways to accelerate the method are suggested and an implementation is described. Finally, a set of truss topology optimization problems are numerically solved to global optimality.......This article considers the non-linear mixed 0–1 optimization problems that appear in topology optimization of load carrying structures. The main objective is to present a Generalized Benders’ Decomposition (GBD) method for solving single and multiple load minimum compliance (maximum stiffness...

  15. Separations chemistry

    International Nuclear Information System (INIS)

    Anon.

    1976-01-01

    Results of studies on the photochemistry of aqueous Pu solutions and the stability of iodine in liquid and gaseous CO 2 are reported. Progress is reported in studies on: the preparation of macroporous bodies filled with oxides and sulfides to be used as adsorbents; the beneficiation of photographic wastes; the anion exchange adsorption of transition elements from thiosulfate solutions; advanced filtration applications of energy significance; high-resolution separations; and, the examination of the separation agents, octylphenylphosphoric acid (OPPA) and trihexyl phosphate (THP)

  16. Closed form solution to a second order boundary value problem and its application in fluid mechanics

    International Nuclear Information System (INIS)

    Eldabe, N.T.; Elghazy, E.M.; Ebaid, A.

    2007-01-01

    The Adomian decomposition method is used by many researchers to investigate several scientific models. In this Letter, the modified Adomian decomposition method is applied to construct a closed form solution for a second order boundary value problem with singularity

  17. Chemistry That Applies. What Works Clearinghouse Intervention Report

    Science.gov (United States)

    What Works Clearinghouse, 2012

    2012-01-01

    "Chemistry That Applies" is an instructional unit designed to help students in grades 8-10 understand the law of conservation of matter. It consists of 24 lessons organized in four clusters. Working in groups, students explore four chemical reactions: burning, rusting, the decomposition of water, and the reaction of baking soda and…

  18. Ultrasound in polymer chemistry : revival of an established technique

    NARCIS (Netherlands)

    Paulusse, J.M.J.; Sijbesma, R.P.

    2006-01-01

    The history of ultrasound in polymer chemistry goes back a long way. Initially, its uses were limited to being an alternative method of initiating radical polymerizations through the decomposition of solvents to form radicals or through the breakage of polymers leading to macroradicals. Recently,

  19. Radiation chemistry and bioradical chemistry

    International Nuclear Information System (INIS)

    Ferradini, C.

    1991-01-01

    Oxygen metabolism results, at the cellular level, in the formation of superoxyde radical O 2 - · and probably also of hydroxyl radical OH·. Other radical species can be produced from exogenous or endogenous molecules and nearly all of them have the possibility to react with oxygen giving peroxyradicals. Some of these transients play a role in various biological processes such as phagocytosis, inflammation or ischemy although the mechanisms invoked are poorly understood. Radiation chemistry is an invaluable tool for obtaining a quantitative view of these mechanisms. A description is given of this interaction [fr

  20. Bibliographies on radiation chemistry

    International Nuclear Information System (INIS)

    Hoffman, M.Z.; Ross, A.B.

    1986-01-01

    The one-electron oxidation and reduction of metal ions and complexes can yield species in unusual oxidation states, and ligand-radicals coordinated to the central metal. These often unstable species can be mechanistically important intermediates in thermal, photochemical, and electrochemical reactions involving metal-containing substances. Their generation via radiolysis provides an alternate means of characterizing them using kinetic and spectroscopic techniques. We hope these bibliographies on the radiation chemistry of metal ions and complexes, presented according to periodic groups, will prove useful to researchers in metallo-redox chemistry. These bibliographies contain only primary literature sources; reviews are not included. However, a list of general review articles on the radiation chemistry of metal ions and complexes is presented here in the first section which covers cobalt, rhodium and iridium, Group 9 in the new IUPAC notation. Additional parts of the bibliography are planned, covering other periodic groups. Part A of the bibliography was prepared by a search of the Radiation Chemistry Data Center Bibliographic Data Base (RCDCbib) through January 1986 for papers on rhodium, iridium and cobalt compounds, and radiolysis (both continuous and pulsed). Papers in which the use of metal compounds was incidental to the primary objective of the study were excluded. Excluded also were publications in unrefereed and obscure sources such as meeting proceedings, internal reports, dissertations, and patents. The majority of the studies in the resultant compilation deal with experiments performed on solutions, mainly aqueous, although a substantial fraction is devoted to solid-state esr measurements. The references are listed in separate sections for each of the metals, and are presented in approximate chronological order. (author)

  1. Fundamentals of nuclear chemistry

    International Nuclear Information System (INIS)

    Majer, K.

    1982-01-01

    The textbook is a Czech-to-German translation of the second revised edition and covers the subject under the headings: general nuclear chemistry, methods of nuclear chemistry, preparative nuclear chemistry, analytical nuclear chemistry, and applied chemistry. The book is especially directed to students

  2. Physical chemistry and the environment

    International Nuclear Information System (INIS)

    Dunning, T.H. Jr.; Garrett, B.C.; Kolb, C.E. Jr.; Shaw, R.W.; Choppin, G.R.; Wagner, A.F.

    1994-08-01

    From the ozone hole and the greenhouse effect to plastics recycling and hazardous waste disposal, society faces a number of issues, the solutions to which require an unprecedented understanding of the properties of molecules. We are coming to realize that the environment is a coupled set of chemical systems, its dynamics determining the welfare of the biosphere and of humans in particular. These chemical systems are governed by fundamental molecular interactions, and they present chemists with an unparalleled challenge. The application of current concepts of molecular behavior and of up-to-date experimental and computational techniques can provide us with insights into the environment that are needed to mitigate past damage, to anticipate the impact of current human activity, and to avoid future insults to the environment. Environmental chemistry encompasses a number of separate, yet interlocking, areas of research. In all of these areas progress is limited by an inadequate understanding of the underlying chemical processes involved. Participation of all chemical approaches -- experimental, theoretical and computational -- and of all disciplines of chemistry -- organic, inorganic, physical, analytical and biochemistry -- will be required to provide the necessary fundamental understanding. The Symposium on ''Physical Chemistry and the Environment'' was designed to bring the many exciting and challenging physical chemistry problems involved in environmental chemistry to the attention of a larger segment of the physical chemistry community

  3. Solving network design problems via decomposition, aggregation and approximation

    CERN Document Server

    Bärmann, Andreas

    2016-01-01

    Andreas Bärmann develops novel approaches for the solution of network design problems as they arise in various contexts of applied optimization. At the example of an optimal expansion of the German railway network until 2030, the author derives a tailor-made decomposition technique for multi-period network design problems. Next, he develops a general framework for the solution of network design problems via aggregation of the underlying graph structure. This approach is shown to save much computation time as compared to standard techniques. Finally, the author devises a modelling framework for the approximation of the robust counterpart under ellipsoidal uncertainty, an often-studied case in the literature. Each of these three approaches opens up a fascinating branch of research which promises a better theoretical understanding of the problem and an increasing range of solvable application settings at the same time. Contents Decomposition for Multi-Period Network Design Solving Network Design Problems via Ag...

  4. Investigating hydrogel dosimeter decomposition by chemical methods

    International Nuclear Information System (INIS)

    Jordan, Kevin

    2015-01-01

    The chemical oxidative decomposition of leucocrystal violet micelle hydrogel dosimeters was investigated using the reaction of ferrous ions with hydrogen peroxide or sodium bicarbonate with hydrogen peroxide. The second reaction is more effective at dye decomposition in gelatin hydrogels. Additional chemical analysis is required to determine the decomposition products

  5. Chemistry Division : Annual progress report of 1974

    International Nuclear Information System (INIS)

    1974-01-01

    Research and development activities (during 1974) of the Chemistry Division of the Bhabha Atomic Research Centre, Bombay, are described. Some of the activities of particular interest to nuclear science and technology are: (1) chemistry-based problems of the operating power reactors such as development of a decontaminating solution for power reactors, correlation of iodine-131 levels in the primary heat transport system of a reactor with its operation (2) release of fission gases like xenon from ceramic fuels and (3) radiation chemistry of nitrate solutions (M.G.B.)

  6. Chemistry of the actinide elements. Second edition

    International Nuclear Information System (INIS)

    Katz, J.J.; Seaborg, G.T.; Morss, L.R.

    1987-01-01

    This is an exhaustive, updated discourse on the chemistry of Actinides, Volume 1 contains a systematic coverage of the elements Ac, Th, Pa, U, Np, and Pu, which constitutes Part 1 of the work. The characterization of each element is discussed in terms of its nuclear properties, occurrence, preparation, atomic and metallic properties, chemistry of specific compounds, and solution chemistry. The first part of Volume 2 follows the same format as Volume 1 but is confined to the elements Am, Cm, Bk, Cf, and Es, plus a more condensed coverage of the Transeinsteinium elements (Fm, Md, No, Lw, and 104-109). Part 2 of this volume is devoted to a discussion of the actinide elements in general, with a specific focus on electronic spectra, thermodynamic and magnetic properties, the metallic state, structural chemistry, solution kinetics, organometallic chemistry for σ- and π-bonded compounds, and some concluding remarks on the superheavy elements

  7. Cyclodextrin chemistry

    International Nuclear Information System (INIS)

    Khan, M.Z.; Chuaqui, C.A.

    1990-05-01

    The chemistry of cyclodextrins was studied. This study included synthesising some cyclodextrin derivatives, preparing selected inclusion complexes with cyclodextrin and investigating the effects of gamma irradiation on cyclodextrins and certain linear oligosaccharides. This report presents a brief review of the structure and properties of cyclodextrins, the synthesis of cyclodextrin derivatives, their complexation and applications. This is followed by a description of the synthesis of some cyclodextrin derivatives and the preparation of inclusion complexes of cyclodextrin with some organic compounds. Finally, the effects of gamma irradiation on cyclodextrins, some of their derivatives and certain structurally related carbohydrates are discussed. The gamma irradiation studies were carried out for two reasons: to study the effects of gamma irradiation on cyclodextrins and their derivatives; and to investigate selectivity during the gamma irradiation of cyclodextrin derivatives

  8. Astronomical chemistry.

    Science.gov (United States)

    Klemperer, William

    2011-01-01

    The discovery of polar polyatomic molecules in higher-density regions of the interstellar medium by means of their rotational emission detected by radioastronomy has changed our conception of the universe from essentially atomic to highly molecular. We discuss models for molecule formation, emphasizing the general lack of thermodynamic equilibrium. Detailed chemical kinetics is needed to understand molecule formation as well as destruction. Ion molecule reactions appear to be an important class for the generally low temperatures of the interstellar medium. The need for the intrinsically high-quality factor of rotational transitions to definitively pin down molecular emitters has been well established by radioastronomy. The observation of abundant molecular ions both positive and, as recently observed, negative provides benchmarks for chemical kinetic schemes. Of considerable importance in guiding our understanding of astronomical chemistry is the fact that the larger molecules (with more than five atoms) are all organic.

  9. Reburning chemistry

    International Nuclear Information System (INIS)

    Kilpin, P.; Hupa, M.; Glarborg, P.

    1992-01-01

    No reduction chemistry in natural gas (methane) reburning was studied using detailed kinetic modeling. A reaction set including 225 reversible elementary gas-phase reactions and 48 chemical species was applied to an ideal plug flow reactor, and the most important reactions leading to NO reduction were identified and quantified for a number of conditions relevant for natural gas reburning. In addition, the influence of different process parameters on the NO reduction was investigated in the reburn zone and burn-out zone, respectively. Further, comparison of the calculations to available laboratory-scale data on reburning is made. In this paper, the impact of various fluid dynamic, mixing, and chemical effects---not accounted for in the calculations---on the NO reduction and the optimum reburning conditions predicted is discussed

  10. Combustion chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Brown, N.J. [Lawrence Berkeley Laboratory, CA (United States)

    1993-12-01

    This research is concerned with the development and use of sensitivity analysis tools to probe the response of dependent variables to model input variables. Sensitivity analysis is important at all levels of combustion modeling. This group`s research continues to be focused on elucidating the interrelationship between features in the underlying potential energy surface (obtained from ab initio quantum chemistry calculations) and their responses in the quantum dynamics, e.g., reactive transition probabilities, cross sections, and thermal rate coefficients. The goals of this research are: (i) to provide feedback information to quantum chemists in their potential surface refinement efforts, and (ii) to gain a better understanding of how various regions in the potential influence the dynamics. These investigations are carried out with the methodology of quantum functional sensitivity analysis (QFSA).

  11. Solution chemistry of element 104: Pt. 1

    International Nuclear Information System (INIS)

    Czerwinski, K.R.; Gregorich, K.E.; Hannink, N.J.; Kacher, C.D.; Kadkhodayan, B.A.; Kreek, S.A.; Lee, D.M.; Nurmia, M.J.; Tuerler, A.; Seaborg, G.T.; Hoffman, D.C.

    1994-01-01

    Liquid-liquid extractions of element 104 (Rf), Zr, Nb, Th, and Eu were conducted using triisooctylamine (TIOA), an organic soluble high molecular weight amine. Initial studies were conducted studying the extraction of Zr, Nb, Th and Eu from 12 M HCl in an organic phase of TIOA in benzene. Tracer loss due to thin sample formation was examined using 95 Zr. Based on the tracer extraction results, Rf extractions were conducted with an aqueous phase of 12 M HCl and an organic phase of 1.0 M and 0.1 M TIAO in benzene. The Rf extraction results showed that 0.1 M TIOA in benzene extracts Rf to a greater extent than 1.0 M TIOA in benzene. This difference is attributed to Rf loss during thin sample formation. The extraction of Rf by TIOA is further evidence that Rf behaves similar to the group 4 elements. (orig.)

  12. Physical and radiological chemistry on ocean solutions

    International Nuclear Information System (INIS)

    Anon.

    1976-01-01

    This study is designed to investigate the rates and mechanisms of ocean mixing processes using natural and artificial radionuclides as tracers of these processes. Using these same radionuclides, especially 7 Be, rates of air-to-sea transfer of atmospheric aerosol can be determined. Measurement of the concentrations of anthropogenic pollutants in the aerosol provides the means for determining the magnitude of injection of these pollutants to the world's oceans

  13. Molecular Chemistry and Engineering of Boron-Modified Polyorganosilazanes as New Processable and Functional SiBCN Precursors.

    Science.gov (United States)

    Viard, Antoine; Fonblanc, Diane; Schmidt, Marion; Lale, Abhijeet; Salameh, Chrystelle; Soleilhavoup, Anne; Wynn, Mélanie; Champagne, Philippe; Cerneaux, Sophie; Babonneau, Florence; Chollon, Georges; Rossignol, Fabrice; Gervais, Christel; Bernard, Samuel

    2017-07-06

    A series of boron-modified polyorganosilazanes was synthesized from a poly(vinylmethyl-co-methyl)silazane and controlled amounts of borane dimethyl sulfide. The role of the chemistry behind their synthesis has been studied in detail by using solid-state NMR spectroscopy, FTIR spectroscopy, and elemental analysis. The intimate relationship between the chemistry and the processability of these polymers is discussed. Polymers with low boron contents displayed appropriate requirements for facile processing in solution, such as impregnation of host carbon materials, which resulted in the design of mesoporous monoliths with a high specific surface area after pyrolysis. Polymers with high boron content are more appropriate for solid-state processing to design mechanically robust monolith-type macroporous and dense structures after pyrolysis. Boron acts as a crosslinking element, which offers the possibility to extend the processability of polyorganosilazanes and suppress the distillation of oligomeric fragments in the low-temperature region of their thermal decomposition (i.e., pyrolysis) at 1000 °C under nitrogen. Polymers with controlled and high ceramic yields were generated. We provide a comprehensive mechanistic study of the two-step thermal decomposition based on a combination of thermogravimetric experiments coupled with elemental analysis, solid-state NMR spectroscopy, and FTIR spectroscopy. Selected characterization tools allowed the investigation of specific properties of the monolith-type SiBCN materials. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. A Wet Chemistry Laboratory Cell

    Science.gov (United States)

    2008-01-01

    This picture of NASA's Phoenix Mars Lander's Wet Chemistry Laboratory (WCL) cell is labeled with components responsible for mixing Martian soil with water from Earth, adding chemicals and measuring the solution chemistry. WCL is part of the Microscopy, Electrochemistry, and Conductivity Analyzer (MECA) instrument suite on board the Phoenix lander. The Phoenix Mission is led by the University of Arizona, Tucson, on behalf of NASA. Project management of the mission is by NASA's Jet Propulsion Laboratory, Pasadena, Calif. Spacecraft development is by Lockheed Martin Space Systems, Denver.

  15. Theoretical chemistry advances and perspectives

    CERN Document Server

    Eyring, Henry

    1980-01-01

    Theoretical Chemistry: Advances and Perspectives, Volume 5 covers articles concerning all aspects of theoretical chemistry. The book discusses the mean spherical approximation for simple electrolyte solutions; the representation of lattice sums as Mellin-transformed products of theta functions; and the evaluation of two-dimensional lattice sums by number theoretic means. The text also describes an application of contour integration; a lattice model of quantum fluid; as well as the computational aspects of chemical equilibrium in complex systems. Chemists and physicists will find the book usef

  16. Why Teach Environmental Chemistry?

    Science.gov (United States)

    Gardner, Marjorie H.

    1974-01-01

    Discusses the importance of teaching environmental chemistry in secondary school science classes, and outlines five examples of environmental chemistry problems that focus on major concepts of chemistry and have critical implications for human survival and well-being. (JR)

  17. Avaliação físico-química de goiabas desidratadas osmoticamente em diferentes soluções Phisical-chemistry evaluate of guava osmostic dehidration in solutions different

    Directory of Open Access Journals (Sweden)

    Kelen Cristina dos Reis

    2007-06-01

    Full Text Available Com o presente trabalho, objetivou-se avaliar o efeito do ácido ascórbico, do lactato de cálcio e do branqueamento na qualidade da goiaba desidratada osmoticamente através de análises físico-químicas. O tratamento com xarope de sacarose e lactato de cálcio obteve produto com maior pH não apresentando diferença significativa na textura do produto em relação ao tratamento apenas com xarope de sacarose. A imersão das amostras em solução osmótica aumentou os valores de sólidos solúveis e reduziu em média 10% a umidade das amostras. Nos frutos em que foi realizado o branqueamento antes da imersão na solução osmótica observaram-se menores valores de pH, acidez titulável e de textura em relação ao tratamento apenas com o xarope de sacarose. Os frutos controle apresentaram tonalidade de luz mais intensa comparado aos outros tratamentos.The present research had the purpose to evaluate the effect of ascorbic acid, calcium lactate and blanching in the quality of guava osmotic dehydrated through analyses physical-chemistry. The treatment with sucrose syrup and calcium lactate obtained product with larger pH not presenting significant difference in the texture of product in relation to the treatment just with sucrose syrup. The osmotic solution increases the solid soluble value and reduced 10% the humidity of the samples.The fruits blanching shown the smaller value for pH, acidity titratable and texture in relation to the treatment only sucrose syrup. The fruits control presented tonality more intense of light compared to other treatments.

  18. Environmental chemistry. Seventh edition

    Energy Technology Data Exchange (ETDEWEB)

    Manahan, S.E. [Univ. of Missouri, Columbia, MO (United States)

    1999-11-01

    This book presents a basic understanding of environmental chemistry and its applications. In addition to providing updated materials in this field, the book emphasizes the major concepts essential to the practice of environmental chemistry. Topics of discussion include the following: toxicological chemistry; toxicological chemistry of chemical substances; chemical analysis of water and wastewater; chemical analysis of wastes and solids; air and gas analysis; chemical analysis of biological materials and xenobiotics; fundamentals of chemistry; and fundamentals of organic chemistry.

  19. Dictionary-Based Tensor Canonical Polyadic Decomposition

    Science.gov (United States)

    Cohen, Jeremy Emile; Gillis, Nicolas

    2018-04-01

    To ensure interpretability of extracted sources in tensor decomposition, we introduce in this paper a dictionary-based tensor canonical polyadic decomposition which enforces one factor to belong exactly to a known dictionary. A new formulation of sparse coding is proposed which enables high dimensional tensors dictionary-based canonical polyadic decomposition. The benefits of using a dictionary in tensor decomposition models are explored both in terms of parameter identifiability and estimation accuracy. Performances of the proposed algorithms are evaluated on the decomposition of simulated data and the unmixing of hyperspectral images.

  20. Decomposition of diesel oil by various microorganisms

    Energy Technology Data Exchange (ETDEWEB)

    Suess, A; Netzsch-Lehner, A

    1969-01-01

    Previous experiments demonstrated the decomposition of diesel oil in different soils. In this experiment the decomposition of /sup 14/C-n-Hexadecane labelled diesel oil by special microorganisms was studied. The results were as follows: (1) In the experimental soils the microorganisms Mycoccus ruber, Mycobacterium luteum and Trichoderma hamatum are responsible for the diesel oil decomposition. (2) By adding microorganisms to the soil an increase of the decomposition rate was found only in the beginning of the experiments. (3) Maximum decomposition of diesel oil was reached 2-3 weeks after incubation.

  1. Uranium (VI) chemistry at the interface solution/minerals (quartz and aluminium hydroxide): experiments and spectroscopic investigations of the uranyl surface species; Chimie de l'uranium (VI) a l'interface solution/mineraux (quartz et hydroxyde d'aluminium): experiences et caracterisations spectroscopiques

    Energy Technology Data Exchange (ETDEWEB)

    Froideval, A.

    2004-09-15

    This study deals with the understanding of the uranyl chemistry at the 0.1 M NaNO{sub 3} solution/mineral (quartz and aluminium hydroxide) interface. The aims are:(i) to identify and to characterize the different uranyl surface species (mononuclear, polynuclear complexes and/or precipitates...), i.e. the coordination environments of sorbed/precipitated uranyl ions, by using X-ray photoelectron spectroscopy (XPS), extended X-ray absorption fine structure (EXAFS) and time-resolved laser-induced fluorescence spectroscopy (TRLFS), and;(ii) to investigate the influence of pH, initial uranyl aqueous concentration and hydroxyl ligand concentration on the uranyl surface speciation. Our study on the speciation of uranyl ions at the quartz surface (i) confirms the formation of uranyl polynuclear/oligomers on quartz from moderate (1 {mu}mol/m{sup 2}) to high (26 {mu}mol/m{sup 2}) uranyl surface concentrations and (ii) show that theses polynuclear species coexist with uranyl mononuclear surface species over a pH range {approx_equal} 5-8.5 and a wide range of initial uranyl concentration o f the solutions (10-100 {mu}M). The uranyl concentration of these surface species depends on pH and on the initial uranyl aqueous concentration. Hydrate (surface-) precipitates and/or adsorbed polynuclear species and monomeric uranyl surface complexes are formed on aluminium hydroxide. Uranyl mononuclear complexes are predominant at acidic pH, as well as uranyl in solution or on the surface. Besides mononuclear species, precipitates and/or adsorbed polynuclear species are predominantly formed at neutral pH values on aluminium hydroxide. A main contribution of our investigations is that precipitation and/or adsorption of polynuclear species seem to occur at low uranyl surface concentrations (0.01-0.4 {mu}mol/m{sup 2}). The uranyl surface speciation is mainly dependent on the pH and the aluminol ligand concentration. (author)

  2. Homotopy decomposition method for solving one-dimensional time-fractional diffusion equation

    Science.gov (United States)

    Abuasad, Salah; Hashim, Ishak

    2018-04-01

    In this paper, we present the homotopy decomposition method with a modified definition of beta fractional derivative for the first time to find exact solution of one-dimensional time-fractional diffusion equation. In this method, the solution takes the form of a convergent series with easily computable terms. The exact solution obtained by the proposed method is compared with the exact solution obtained by using fractional variational homotopy perturbation iteration method via a modified Riemann-Liouville derivative.

  3. USSR Report Chemistry

    National Research Council Canada - National Science Library

    1986-01-01

    Contents: Adsorption, Chemistry,Alkaloids, Analytical Chemistry, Catalysis,Chemical Industry,,Coal Gasification, Combustion, Electrochemistry,Explosives and Explosions, Fertilizers, Free Radicals, Inorganic...

  4. Excimer laser decomposition of silicone

    International Nuclear Information System (INIS)

    Laude, L.D.; Cochrane, C.; Dicara, Cl.; Dupas-Bruzek, C.; Kolev, K.

    2003-01-01

    Excimer laser irradiation of silicone foils is shown in this work to induce decomposition, ablation and activation of such materials. Thin (100 μm) laminated silicone foils are irradiated at 248 nm as a function of impacting laser fluence and number of pulsed irradiations at 1 s intervals. Above a threshold fluence of 0.7 J/cm 2 , material starts decomposing. At higher fluences, this decomposition develops and gives rise to (i) swelling of the irradiated surface and then (ii) emission of matter (ablation) at a rate that is not proportioned to the number of pulses. Taking into consideration the polymer structure and the foil lamination process, these results help defining the phenomenology of silicone ablation. The polymer decomposition results in two parts: one which is organic and volatile, and another part which is inorganic and remains, forming an ever thickening screen to light penetration as the number of light pulses increases. A mathematical model is developed that accounts successfully for this physical screening effect

  5. Newton-Raphson based modified Laplace Adomian decomposition method for solving quadratic Riccati differential equations

    Directory of Open Access Journals (Sweden)

    Mishra Vinod

    2016-01-01

    Full Text Available Numerical Laplace transform method is applied to approximate the solution of nonlinear (quadratic Riccati differential equations mingled with Adomian decomposition method. A new technique is proposed in this work by reintroducing the unknown function in Adomian polynomial with that of well known Newton-Raphson formula. The solutions obtained by the iterative algorithm are exhibited in an infinite series. The simplicity and efficacy of method is manifested with some examples in which comparisons are made among the exact solutions, ADM (Adomian decomposition method, HPM (Homotopy perturbation method, Taylor series method and the proposed scheme.

  6. Effects of hydrogen and propylene presence on decomposition of hydrogen peroxide over palladium catalysts

    NARCIS (Netherlands)

    Chen, T.; Kertalli, E.; Nijhuis, T.A.; Podkolzin, S.

    2016-01-01

    Reaction rates for H2O2 decomposition in a methanol solution were measured over Pd/SiO2 catalysts in the presence of gas-phase N2, H2 and propylene. The H2O2 decomposition rates were higher in the presence of H2 and lower in the presence of propylene compared to those under N2, which acted as an

  7. Solving and Interpreting Large-scale Harvest Scheduling Problems by Duality and Decomposition

    OpenAIRE

    Berck, Peter; Bible, Thomas

    1982-01-01

    This paper presents a solution to the forest planning problem that takes advantage of both the duality of linear programming formulations currently being used for harvest scheduling and the characteristics of decomposition inherent in the forest land class-relationship. The subproblems of decomposition, defined as the dual, can be solved in a simple, recursive fashion. In effect, such a technique reduces the computational burden in terms of time and computer storage as compared to the traditi...

  8. Thermal decomposition of hydroxylamine: isoperibolic calorimetric measurements at different conditions.

    Science.gov (United States)

    Adamopoulou, Theodora; Papadaki, Maria I; Kounalakis, Manolis; Vazquez-Carreto, Victor; Pineda-Solano, Alba; Wang, Qingsheng; Mannan, M Sam

    2013-06-15

    Thermal decomposition of hydroxylamine, NH2OH, was responsible for two serious accidents. However, its reactive behavior and the synergy of factors affecting its decomposition are not being understood. In this work, the global enthalpy of hydroxylamine decomposition has been measured in the temperature range of 130-150 °C employing isoperibolic calorimetry. Measurements were performed in a metal reactor, employing 30-80 ml solutions containing 1.4-20 g of pure hydroxylamine (2.8-40 g of the supplied reagent). The measurements showed that increased concentration or temperature, results in higher global enthalpies of reaction per unit mass of reactant. At 150 °C, specific enthalpies as high as 8 kJ per gram of hydroxylamine were measured, although in general they were in the range of 3-5 kJ g(-1). The accurate measurement of the generated heat was proven to be a cumbersome task as (a) it is difficult to identify the end of decomposition, which after a fast initial stage, proceeds very slowly, especially at lower temperatures and (b) the environment of gases affects the reaction rate. Copyright © 2013 Elsevier B.V. All rights reserved.

  9. Water chemistry

    International Nuclear Information System (INIS)

    Hofstetter, K.J.; Baston, V.F.

    1986-01-01

    Prior to the accident, the coolants in the primary and secondary systems were within normal chemistry specifications for an operating pressurized water reactor with once-through steam generators. During and immediately after the accident, additional boric acid and sodium hydroxide were added to the primary coolant for control of criticality and radioiodine solubility. A primary to secondary leak developed contaminating the water in one steam generator. For about 5 years after the accident, the primary coolant was maintained at 3800 +. 100 ppm boron and 1000 +. 100 ppm sodium concentrations. Dissolved oxygen was maintained 7.5, corrosion caused by increased dissolved oxygen levels (up to 8 ppm) and higher chloride ion content (up to 5 ppm) is minimized. Chemical control of dissolved oxygen was discontinued and the coolant was processed. Prior to removal of the reactor vessel head, the boron concentration in the coolant was increased to ≅ 5000 ppm to support future defueling operations. Decontamination of the accident generated water is described in terms of contaminated water management. In addition, the decontamination and chemical lay-up conditions for the secondary system are presented along with an overview of chemical management at TMI-2

  10. Migration chemistry

    International Nuclear Information System (INIS)

    Carlsen, L.

    1992-05-01

    Migration chemistry, the influence of chemical -, biochemical - and physico-chemical reactions on the migration behaviour of pollutants in the environment, is an interplay between the actual natur of the pollutant and the characteristics of the environment, such as pH, redox conditions and organic matter content. The wide selection of possible pollutants in combination with varying geological media, as well as the operation of different chemical -, biochemical - and physico-chemical reactions compleactes the prediction of the influence of these processes on the mobility of pollutants. The report summarizes a wide range of potential pollutants in the terrestrial environment as well as a variety of chemical -, biochemical - and physico-chemical reactions, which can be expected to influence the migration behaviour, comprising diffusion, dispersion, convection, sorption/desorption, precipitation/dissolution, transformations/degradations, biochemical reactions and complex formation. The latter comprises the complexation of metal ions as well as non-polar organics to naturally occurring organic macromolecules. The influence of the single types of processes on the migration process is elucidated based on theoretical studies. The influence of chemical -, biochemical - and physico-chemical reactions on the migration behaviour is unambiguous, as the processes apparently control the transport of pollutants in the terrestrial environment. As the simple, conventional K D concept breaks down, it is suggested that the migration process should be described in terms of the alternative concepts chemical dispersion, average-elution-time and effective retention. (AB) (134 refs.)

  11. Separations chemistry

    International Nuclear Information System (INIS)

    Anon.

    1977-01-01

    Infrared spectra of Pu(IV) polymer show effects of CO 2 adsorption and of aging. Uv light (300 nm) increases the rate of reduction of PuO 2 2+ and Pu 4+ to Pu 3+ and the Pu--U separation factor using TBP. Distribution ratios for Zr and Hf between Dowex 50W--X8 resin and H 2 SO 4 solutions were found to decrease sharply with H 2 SO 4 content. Octylphenyl acid phosphate, a mixture of monooctylphenyl and dioctylphenyl phosphoric acids, is being studied for U recovery from wet-process phosphoric acid. A study of HNO 3 leaching of Ra from U ores was completed. Effects of particle size of the packed bed on the dispersion of the boundary of the miscible phase used in oil recovery are being studied. Effects of sulfonates on toluene--n-butanol--water phase relations were determined, as were the effects of salts and solutes on the max water content of 1:1 toluene--alcohol solutions. A study was begun of hydrocarbon solubility in water--surfactant--alcohol. The mechanism of the formation of hydrous ZrO 2 --polyacrylate membranes and their use for sulfate rejection were studied. Salt rejection through hyperfiltration by clay membranes (bentonite and kaolin) was also investigated. Preliminary results are given for hyperfiltration of wood-pulping wastes by ZrO 2 membranes. 13 figures

  12. Insights into the decomposition of olefin metathesis precatalysts

    KAUST Repository

    Manzini, Simone

    2014-06-02

    The decomposition of a series of benzylidene, methylidene, and 3-phenylindenylidene complexes has been probed in alcohol solution in the presence of base. Tricyclohexylphosphane-containing precatalysts are shown to yield [RuCl(H)(H2)(PCy3)2] in isopropyl alcohol solutions, while 3-phenylindenylidene complexes lead to η5-(3- phenyl)indenyl products. The potential-energy surfaces for the formation of the latter species have been probed using density functional theory studies. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. Insights into the decomposition of olefin metathesis precatalysts

    KAUST Repository

    Manzini, Simone; Poater, Albert; Nelson, David J.; Cavallo, Luigi; Slawin, Alexandra M. Z.; Nolan, Steven P.

    2014-01-01

    The decomposition of a series of benzylidene, methylidene, and 3-phenylindenylidene complexes has been probed in alcohol solution in the presence of base. Tricyclohexylphosphane-containing precatalysts are shown to yield [RuCl(H)(H2)(PCy3)2] in isopropyl alcohol solutions, while 3-phenylindenylidene complexes lead to η5-(3- phenyl)indenyl products. The potential-energy surfaces for the formation of the latter species have been probed using density functional theory studies. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. Thermic decomposition of biphenyl; Decomposition thermique du biphenyle

    Energy Technology Data Exchange (ETDEWEB)

    Lutz, M [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1966-03-01

    Liquid and vapour phase pyrolysis of very pure biphenyl obtained by methods described in the text was carried out at 400 C in sealed ampoules, the fraction transformed being always less than 0.1 per cent. The main products were hydrogen, benzene, terphenyls, and a deposit of polyphenyls strongly adhering to the walls. Small quantities of the lower aliphatic hydrocarbons were also found. The variation of the yields of these products with a) the pyrolysis time, b) the state (gas or liquid) of the biphenyl, and c) the pressure of the vapour was measured. Varying the area and nature of the walls showed that in the absence of a liquid phase, the pyrolytic decomposition takes place in the adsorbed layer, and that metallic walls promote the reaction more actively than do those of glass (pyrex or silica). A mechanism is proposed to explain the results pertaining to this decomposition in the adsorbed phase. The adsorption seems to obey a Langmuir isotherm, and the chemical act which determines the overall rate of decomposition is unimolecular. (author) [French] Du biphenyle tres pur, dont la purification est decrite, est pyrolyse a 400 C en phase vapeur et en phase liquide dans des ampoules scellees sous vide, a des taux de decomposition n'ayant jamais depasse 0,1 pour cent. Les produits provenant de la pyrolyse sont essentiellement: l' hydrogene, le benzene, les therphenyles, et un depot de polyphenyles adherant fortement aux parois. En plus il se forme de faibles quantites d'hydrocarbures aliphatiques gazeux. On indique la variation des rendements des differents produits avec la duree de pyrolyse, l'etat gazeux ou liquide du biphenyle, et la pression de la vapeur. Variant la superficie et la nature des parois, on montre qu'en absence de liquide la pyrolyse se fait en phase adsorbee. La pyrolyse est plus active au contact de parois metalliques que de celles de verres (pyrex ou silice). A partir des resultats experimentaux un mecanisme de degradation du biphenyle en phase

  15. Cho decomposition of electrically charged one-half monopole

    Energy Technology Data Exchange (ETDEWEB)

    Ng, Ban-Loong; Teh, Rosy; Wong, Khai-Ming [School of Physics, Universiti Sains Malaysia, 11800 USM Penang (Malaysia)

    2014-03-05

    Recently we have carried out some work on the Cho decomposition of the electrically neutral, finite energy one-half monopole solution of the SU(2) Yang-Mills-Higgs field theory. In this paper, we performed the decomposition of the electrically charged solution using the same numerical procedure. The gauge potential of the one-half dyon solution is decomposed into Abelian and non-Abelian components. The semi-infinite string singularity in the gauge potential is a contribution of the Higgs field and hence topological in nature. The string singularity cannot be cancelled by the non-Abelian components of the gauge potential. However, the string singularity is integrable and the energy of the solution is finite. By decomposing the magnetic fields and covariant derivatives of the Higgs field into three isospin space directions, we are able to provide conclusive evidence that the constructed one-half dyon is certainly a non-BPS solution even in the limit of vanishing Higgs self-coupling constant and electric charge. Furthermore, we found that the time component of gauge function is parallel to the Higgs field in isospace only at large distances, elsewhere they are non-parallel.

  16. Electron tunneling in chemistry

    International Nuclear Information System (INIS)

    Zamaraev, K.I.; Khajrutdinov, R.F.; Zhdanov, V.P.; Molin, Yu.N.

    1985-01-01

    Results of experimental and theoretical investigations are outlined systematically on electron tunnelling in chemical reactions. Mechanism of electron transport to great distances is shown to be characteristic to chemical compounds of a wide range. The function of tunnel reactions is discussed for various fields of chemistry, including radiation chemistry, electrochemistry, chemistry of solids, chemistry of surface and catalysis

  17. Studies in useful hard x-ray induced chemistry

    Science.gov (United States)

    Pravica, Michael; Bai, Ligang; Sneed, Daniel; Park, Changyong

    2013-06-01

    The observed rapid decomposition of potassium chlorate (via 2KClO3 + h ν --> 2KCl +3O2) via synchrotron hard x-ray irradiation (>10 keV) has enabled experiments that are developing novel and useful hard x-ray chemistry. We have observed a number of radiation-induced in situ decomposition reactions in various substances which release O2, H2, N2, NH3, and H2O in a diamond anvil cell (DAC) at ambient and high pressures. These novel acatalytic and isothermal reactions represent a highly controllable, penetrating, and focused method to initiate chemistry (including x-ray induced combustion) in sealed and/or isolated chambers which maintain matter under extreme conditions. During our studies, we have typically observed a slowing of decomposition with pressure including phase dependent decomposition of KClO3. Energy dependent studies have observed an apparent resonance near 15 keV at which the decomposition rate is maximized. This may enable use of much lower flux and portable x-ray sources (e.g. x-ray tubes) in larger scale experiments. These developments support novel means to load DACs and control chemical reactions providing novel routes of synthesis of novel materials under extreme conditions.

  18. Dolomite decomposition under CO2

    International Nuclear Information System (INIS)

    Guerfa, F.; Bensouici, F.; Barama, S.E.; Harabi, A.; Achour, S.

    2004-01-01

    Full text.Dolomite (MgCa (CO 3 ) 2 is one of the most abundant mineral species on the surface of the planet, it occurs in sedimentary rocks. MgO, CaO and Doloma (Phase mixture of MgO and CaO, obtained from the mineral dolomite) based materials are attractive steel-making refractories because of their potential cost effectiveness and world wide abundance more recently, MgO is also used as protective layers in plasma screen manufacture ceel. The crystal structure of dolomite was determined as rhombohedral carbonates, they are layers of Mg +2 and layers of Ca +2 ions. It dissociates depending on the temperature variations according to the following reactions: MgCa (CO 3 ) 2 → MgO + CaO + 2CO 2 .....MgCa (CO 3 ) 2 → MgO + Ca + CaCO 3 + CO 2 .....This latter reaction may be considered as a first step for MgO production. Differential thermal analysis (DTA) are used to control dolomite decomposition and the X-Ray Diffraction (XRD) was used to elucidate thermal decomposition of dolomite according to the reaction. That required samples were heated to specific temperature and holding times. The average particle size of used dolomite powders is 0.3 mm, as where, the heating temperature was 700 degree celsius, using various holding times (90 and 120 minutes). Under CO 2 dolomite decomposed directly to CaCO 3 accompanied by the formation of MgO, no evidence was offered for the MgO formation of either CaO or MgCO 3 , under air, simultaneous formation of CaCO 3 , CaO and accompanied dolomite decomposition

  19. Radiation chemistry and the environment

    International Nuclear Information System (INIS)

    Getoff, F.

    1998-01-01

    The rather strong and many-sided pollution of the environment (atmosphere, water resources, soil) as a consequence of human activities is summarized. The solution of the arised problems by application of radiation chemistry methods and the utilization of modern environmentally ''clean'' and economical technologies, founded on electron beam processing, are mentioned. Some basic environmental problems and their solution are briefly discussed: i) Removal of CO 2 from flue gases and its radiation induced utilization. ii) Principals for degradation of aqueous pollutants by electron beam processing in the presence of ozone (synergistic effect). The radiation chemistry as a modern and manifold discipline with very broad applications can also essentially contribute in the conservation of the environment

  20. Radiation chemistry and the environment

    International Nuclear Information System (INIS)

    Getoff, Nikola

    1999-01-01

    The rather strong and many-sided pollution of the environment (atmosphere, water resources, soil) as a consequence of human activity is summarized. The solution of the arised problems by application of radiation chemistry methods and the utilization of modern environmentally 'clean' and economical technologies, founded on electron beam processing, are mentioned. Some basic environmental problems and their solution are briefly discussed. (i) Removal of CO 2 from flue gases and its radiation induced utilization. (ii) Principals for degradation of aqueous pollutants by electron beam processing in the presence of ozone (synergistic effect). The radiation chemistry as a modern and manifold discipline with very broad applications can also essentially contribute in the conservation of the environment

  1. The water chemistry of CANDU PHW reactors

    International Nuclear Information System (INIS)

    LeSurf, J.E.

    1978-01-01

    This review will discuss the chemistry of the three major water circuits in a CANDU-PHW reactor, viz., the Primary Heat Transport (PHT) water, the moderator and the boiler water. An important consideration for the PHT chemistry is the control of corrosion and of the transport of corrosion products to minimize the growth of radiation fields. In new reactors the PHT will be allowed to boil, requiring reconsideration of the methods used to radiolytic oxygen and elevate the pH. Separation of the moderator from the PHT in the pressure-tubed CANDU design permits better optimization of the chemistry of each system, avoiding the compromises necessary when the same water serves both functions. Major objectives in moderator chemistry are to control (a) the radiolytic decomposition of D 2 0; (b) the concentration of soluble neutron poisons added to adjust reactivity; and (c) the chemistry of shutdown systems. The boiler water and its feed water are treated to avoid boiler tube corrosion, both during normal operation and when perturbations are caused to the feed by, for example, leaks in the condenser tubes which permit ingress of untreated condenser cooling water. Development of a system for automatic analysis and control of feed water to give rapid, reliable response to abnormal conditions is a novel feature which has been developed for incorporation in future CANDU-PHW reactors. (author)

  2. Basic dye decomposition kinetics in a photocatalytic slurry reactor

    International Nuclear Information System (INIS)

    Wu, C.-H.; Chang, H.-W.; Chern, J.-M.

    2006-01-01

    Wastewater effluent from textile plants using various dyes is one of the major water pollutants to the environment. Traditional chemical, physical and biological processes for treating textile dye wastewaters have disadvantages such as high cost, energy waste and generating secondary pollution during the treatment process. The photocatalytic process using TiO 2 semiconductor particles under UV light illumination has been shown to be potentially advantageous and applicable in the treatment of wastewater pollutants. In this study, the dye decomposition kinetics by nano-size TiO 2 suspension at natural solution pH was experimentally studied by varying the agitation speed (50-200 rpm), TiO 2 suspension concentration (0.25-1.71 g/L), initial dye concentration (10-50 ppm), temperature (10-50 deg. C), and UV power intensity (0-96 W). The experimental results show the agitation speed, varying from 50 to 200 rpm, has a slight influence on the dye decomposition rate and the pH history; the dye decomposition rate increases with the TiO 2 suspension concentration up to 0.98 g/L, then decrease with increasing TiO 2 suspension concentration; the initial dye decomposition rate increases with the initial dye concentration up to a certain value depending upon the temperature, then decreases with increasing initial dye concentration; the dye decomposition rate increases with the UV power intensity up to 64 W to reach a plateau. Kinetic models have been developed to fit the experimental kinetic data well

  3. Decomposition of Nitrous Oxide over Fe-Ferrierites. Effect of High-Temperature Pretreatment on the Formation of Deposited Oxygen

    Czech Academy of Sciences Publication Activity Database

    Nováková, Jana; Schwarze, Michael; Tvarůžková, Zdenka; Sobalík, Zdeněk

    2004-01-01

    Roč. 98, 2/3 (2004), s. 123-127 ISSN 1011-372X R&D Projects: GA AV ČR IBS4040016 Institutional research plan: CEZ:AV0Z4040901 Keywords : Fe-ferrierite * high-temperature treatment * effect on N2O decomposition Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.904, year: 2004

  4. Effect of Potassium in Calcined Co-Mn-Al Layered Double Hydroxide on the Catalytic Decomposition of N2O

    Czech Academy of Sciences Publication Activity Database

    Obalová, L.; Karásková, K.; Jirátová, Květa; Kovanda, F.

    2009-01-01

    Roč. 90, 1-2 (2009), s. 132-140 ISSN 0926-3373 Institutional research plan: CEZ:AV0Z40720504 Keywords : nitrous oxide * catalytic decomposition * potassium promoter Subject RIV: CC - Organic Chemistry Impact factor: 5.252, year: 2009

  5. Catalytic Activity of Cobalt Grafted on Ordered Mesoporous Silica Materials in N2O Decomposition and CO Oxidation.

    Czech Academy of Sciences Publication Activity Database

    Kuboňová, L.; Peikertová, P.; Mamulová Kutláková, K.; Jirátová, Květa; Słowik, G.; Obalová, L.; Cool, P.

    2017-01-01

    Roč. 437, AUG 2017 (2017), s. 57-72 ISSN 2468-8231 R&D Projects: GA ČR GA14-13750S Institutional support: RVO:67985858 Keywords : mesoporous ordered silica * cobalt * N2O decomposition Subject RIV: CI - Industrial Chemistry, Chemical Engineering OBOR OECD: Chemical process engineering

  6. Cell-wall polysaccharides play an important role in decay resistance of Sphagnum and actively depressed decomposition in vitro

    NARCIS (Netherlands)

    Hajek, T.; Ballance, S.; Limpens, J.; Verhoeven, J.T.A.; Zijlstra, M.J.

    2011-01-01

    Sphagnum-dominated peatlands head the list of ecosystems with the largest known reservoirs of organic carbon (C). The bulk of this C is stored in decomposition-resistant litter of one bryophyte genus: Sphagnum. Understanding how Sphagnum litter chemistry controls C mineralization is essential for

  7. Selected ion flow tube mass spectrometry analyses of laser decomposition products of a range of explosives and ballistic propellants

    Czech Academy of Sciences Publication Activity Database

    Civiš, Svatopluk; Civiš, Martin; Sovová, Kristýna; Dryahina, Kseniya; Kubišta, Jiří; Skřehot, P.; Španěl, Patrik; Kyncl, M.

    2016-01-01

    Roč. 8, č. 5 (2016), s. 1145-1150 ISSN 1759-9660 Institutional support: RVO:61388955 Keywords : FT-MS * laser-induced breakdown * laser decomposition products Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.900, year: 2016

  8. Effect of Preparation Method on Catalytic Properties of Co-Mn-Al Mixed Oxides for N2O Decomposition.

    Czech Academy of Sciences Publication Activity Database

    Klyushina, A.; Pacultová, K.; Karásková, K.; Jirátová, Květa; Ritz, M.; Fridrichová, D.; Volodorskaja, A.; Obalová, L.

    2016-01-01

    Roč. 425, DEC 15 (2016), s. 237-247 ISSN 1381-1169 R&D Projects: GA ČR GA14-13750S Institutional support: RVO:67985858 Keywords : Co-Mn-Al mixed oxide * N2O decomposition * preparation methods Subject RIV: CI - Industrial Chemistry, Chemical Engineering Impact factor: 4.211, year: 2016

  9. Bibliographies on radiation chemistry

    International Nuclear Information System (INIS)

    Greenstock, C.L.; Ross, A.B.; Helman, W.P.

    1981-01-01

    This bibliography lists about 400 papers dealing solely with the production and reactivity of superoxide radical anions in irradiated aqueous and organic liquids. Only papers dealing with quantitative mechanistic, spectroscopic or kinetic data have been included. The listing was prepared by searching the RCDC bibliographic data base with SELECT keywords O 2 - or HO 2 and aqueous solution. The key words radicals (oxygen), peroxy radicals, pulse radiolysis, flash radiolysis, esr and gamma rays were also used. Additional relevant references were obtained from inspection of reviews, individual author indexes and cited references. The present bibliography excludes solid and gas phase studies, and also technical, government and in-house reports, theses, patents and some symposia proceedings. Several references prior to 1960 have been added, and the list should be reasonably comprehensive from 1965-1980. The listing is in chronological order, according to year of publication in the categories Photochemistry, Radiation Chemistry, Other, and Reviews. (author)

  10. Decomposition method for analysis of closed queuing networks

    Directory of Open Access Journals (Sweden)

    Yu. G. Nesterov

    2014-01-01

    Full Text Available This article deals with the method to estimate the average residence time in nodes of closed queuing networks with priorities and a wide range of conservative disciplines to be served. The method is based on a decomposition of entire closed queuing network into a set of simple basic queuing systems such as M|GI|m|N for each node. The unknown average residence times in the network nodes are interrelated through a system of nonlinear equations. The fact that there is a solution of this system has been proved. An iterative procedure based on Newton-Kantorovich method is proposed for finding the solution of such system. This procedure provides fast convergence to solution. Today possibilities of proposed method are limited by known analytical solutions for simple basic queuing systems of M|GI|m|N type.

  11. First picosecond in radiation chemistry

    International Nuclear Information System (INIS)

    Bednar, J.

    1983-01-01

    The early processes of absorption by matter of ionizing radiation are discussed on the level of collision processes of electrons of the degradation spectrum of radiation with molecules of the medium. A short survey of the processes of initial excitations, superexcitations and ionizations is given occurring during absorption and relaxation processes. Collisions of fast charged particles with atoms and molecules are discussed within the first Bethe-Born approximation. A short theoretical description is given of the basic radiation chemical quantities, such as primary radiation chemical yield g and total absorbed energy Q/sub tot/ due to energy absorption from the totality of fast and slow electrons of the degradation spectrum. A short survey of current chemical and physical models of the track of a fast electron in condensed media is given together with some comments on the effect of the chemical composition of the medium on its initial radiation chemical decomposition. The model of the molecule in a high Rydberg state is sketched briefly together with some implications for radiation chemistry of formation and decay of this kind of highly excited matter. In conclusion, a survey of the initial yields of products in gases and track entities in liquids is presented and a few remarks are made concerning the intrinsic problems of radiation sciences, i.e. radiation physics, chemistry, dosimetry and biology

  12. Decomposition of Multi-player Games

    Science.gov (United States)

    Zhao, Dengji; Schiffel, Stephan; Thielscher, Michael

    Research in General Game Playing aims at building systems that learn to play unknown games without human intervention. We contribute to this endeavour by generalising the established technique of decomposition from AI Planning to multi-player games. To this end, we present a method for the automatic decomposition of previously unknown games into independent subgames, and we show how a general game player can exploit a successful decomposition for game tree search.

  13. Constructive quantum Shannon decomposition from Cartan involutions

    International Nuclear Information System (INIS)

    Drury, Byron; Love, Peter

    2008-01-01

    The work presented here extends upon the best known universal quantum circuit, the quantum Shannon decomposition proposed by Shende et al (2006 IEEE Trans. Comput.-Aided Des. Integr. Circuits Syst. 25 1000). We obtain the basis of the circuit's design in a pair of Cartan decompositions. This insight gives a simple constructive factoring algorithm in terms of the Cartan involutions corresponding to these decompositions

  14. Constructive quantum Shannon decomposition from Cartan involutions

    Energy Technology Data Exchange (ETDEWEB)

    Drury, Byron; Love, Peter [Department of Physics, 370 Lancaster Ave., Haverford College, Haverford, PA 19041 (United States)], E-mail: plove@haverford.edu

    2008-10-03

    The work presented here extends upon the best known universal quantum circuit, the quantum Shannon decomposition proposed by Shende et al (2006 IEEE Trans. Comput.-Aided Des. Integr. Circuits Syst. 25 1000). We obtain the basis of the circuit's design in a pair of Cartan decompositions. This insight gives a simple constructive factoring algorithm in terms of the Cartan involutions corresponding to these decompositions.

  15. Decomposition techniques in mathematical programming engineering and science applications

    CERN Document Server

    Conejo, Antonio J; Minguez, Roberto; Garcia-Bertrand, Raquel

    2006-01-01

    Optimization plainly dominates the design, planning, operation, and c- trol of engineering systems. This is a book on optimization that considers particular cases of optimization problems, those with a decomposable str- ture that can be advantageously exploited. Those decomposable optimization problems are ubiquitous in engineering and science applications. The book considers problems with both complicating constraints and complicating va- ables, and analyzes linear and nonlinear problems, with and without in- ger variables. The decomposition techniques analyzed include Dantzig-Wolfe, Benders, Lagrangian relaxation, Augmented Lagrangian decomposition, and others. Heuristic techniques are also considered. Additionally, a comprehensive sensitivity analysis for characterizing the solution of optimization problems is carried out. This material is particularly novel and of high practical interest. This book is built based on many clarifying, illustrative, and compu- tional examples, which facilitate the learning p...

  16. Simulation of radiation-induced ozone decomposition in water in the presence of organic compounds

    International Nuclear Information System (INIS)

    Arai, H.; Namba, H.; Miyata, T.; Arai, M.; Sakumoto, A.; Sunaga, H.

    1995-01-01

    Ozone decomposition in water by electron beam irradiation in the presence of acetic acid and t-butanol was studied by the direct measurement of ozone concentration using a spectroscopy equipped with optical fiber light guides and the computer simulation based on 80 reactions. The calculated data were in fair agreement with the observed data for acetic acid aq. solution. For t-butanol high concentration aq. solution, the calculated data became closer to the observed data when the decomposition of peroxide were assumed to occur to produce HO 2 or O 2 - . At low concentration of the organic solutes, the presence of HCO 3 - or CO 3 2- disturbs the ozone decomposition substantially. The concentrations of active species such as OH radicals during the irradiation were also estimated from the simulation. (author)

  17. Decomposition in pelagic marine ecosytems

    International Nuclear Information System (INIS)

    Lucas, M.I.

    1986-01-01

    During the decomposition of plant detritus, complex microbial successions develop which are dominated in the early stages by a number of distinct bacterial morphotypes. The microheterotrophic community rapidly becomes heterogenous and may include cyanobacteria, fungi, yeasts and bactivorous protozoans. Microheterotrophs in the marine environment may have a biomass comparable to that of all other heterotrophs and their significance as a resource to higher trophic orders, and in the regeneration of nutrients, particularly nitrogen, that support 'regenerated' primary production, has aroused both attention and controversy. Numerous methods have been employed to measure heterotrophic bacterial production and activity. The most widely used involve estimates of 14 C-glucose uptake; the frequency of dividing cells; the incorporation of 3 H-thymidine and exponential population growth in predator-reduced filtrates. Recent attempts to model decomposition processes and C and N fluxes in pelagic marine ecosystems are described. This review examines the most sensitive components and predictions of the models with particular reference to estimates of bacterial production, net growth yield and predictions of N cycling determined by 15 N methodology. Directed estimates of nitrogen (and phosphorus) flux through phytoplanktonic and bacterioplanktonic communities using 15 N (and 32 P) tracer methods are likely to provide more realistic measures of nitrogen flow through planktonic communities

  18. Decomposition of Diethylstilboestrol in Soil

    DEFF Research Database (Denmark)

    Gregers-Hansen, Birte

    1964-01-01

    The rate of decomposition of DES-monoethyl-1-C14 in soil was followed by measurement of C14O2 released. From 1.6 to 16% of the added C14 was recovered as C14O2 during 3 months. After six months as much as 12 to 28 per cent was released as C14O2.Determination of C14 in the soil samples after the e...... not inhibit the CO2 production from the soil.Experiments with γ-sterilized soil indicated that enzymes present in the soil are able to attack DES.......The rate of decomposition of DES-monoethyl-1-C14 in soil was followed by measurement of C14O2 released. From 1.6 to 16% of the added C14 was recovered as C14O2 during 3 months. After six months as much as 12 to 28 per cent was released as C14O2.Determination of C14 in the soil samples after...

  19. Porewater chemistry in compacted bentonite

    Energy Technology Data Exchange (ETDEWEB)

    Muurinen, A.; Lehikoinen, J. [VTT Chemical Technology, Espoo (Finland)

    1999-03-01

    In this study, the porewater chemistry in compacted bentonite, considered as an engineered barrier in the repository of spent fuel, has been studied in interaction experiments. Many parameters, like the composition and density of bentonite, composition of the solution, bentonite-to-water ratio (B/W), surrounding conditions and experimental time have been varied in the experiments. At the end of the interaction the equilibrating solution, the porewaters squeezed out of the bentonite samples, and bentonites themselves were analyzed to give information for the interpretation and modelling of the interaction. Equilibrium modelling was performed with the HYDRAQL/CE computer code 33 refs.

  20. Photocatalytic Decomposition of N2O on Ag-TiO2

    Czech Academy of Sciences Publication Activity Database

    Kočí, K.; Krejčíková, Simona; Šolcová, Olga; Obalová, L.

    2012-01-01

    Roč. 191, č. 1 (2012), s. 134-137 ISSN 0920-5861. [International Symposium on Nitrogen Oxides Emission Abatement. Zakopane, 04.09.2011-07.09.2011] R&D Projects: GA ČR GA104/09/0694 Institutional support: RVO:67985858 Keywords : photocatalytic decomposition * N2O * Ag doping * TiO2 Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.980, year: 2012