Surface modification of carbon nanotubes via combination of mussel inspired chemistry and chain transfer free radical polymerization

Energy Technology Data Exchange (ETDEWEB)

Wan, Qing; Tian, Jianwen; Liu, Meiying; Zeng, Guangjian; Huang, Qiang [Department of Chemistry, Nanchang University, 999 Xuefu Avenue, Nanchang, 330031 (China); Wang, Ke; Zhang, Qingsong [Department of Chemistry and the Tsinghua Center for Frontier Polymer Research, Tsinghua University, Beijing, 100084 (China); Deng, Fengjie, E-mail: fengjiedeng@aliyun.com [Department of Chemistry, Nanchang University, 999 Xuefu Avenue, Nanchang, 330031 (China); Zhang, Xiaoyong, E-mail: xiaoyongzhang1980@gmail.com [Department of Chemistry, Nanchang University, 999 Xuefu Avenue, Nanchang, 330031 (China); Wei, Yen, E-mail: weiyen@tsinghua.edu.cn [Department of Chemistry and the Tsinghua Center for Frontier Polymer Research, Tsinghua University, Beijing, 100084 (China)

2015-08-15

Graphical abstract: A novel strategy combination of mussel inspired chemistry and chain transfer free radical polymerization has been developed for surface modification of carbon nanotubes with polymers for the first time. - Highlights: • Surface modification of CNTs via mussel inspired chemistry. • Preparation of aminated polymers through free radical polymerization. • Functionalized CNTs with aminated polymers via Michael addition reaction. • Highly dispersed CNTs in organic and aqueous solution. - Abstract: In this work, a novel strategy for surface modification of carbon nanotubes (CNTs) was developed via combination of mussel inspired chemistry and chain transfer free radical polymerization. First, pristine CNTs were functionalized with polydopamine (PDA), which is formed via self-polymerization of dopamine in alkaline conditions. These PDA functionalized CNTs can be further reacted with amino-terminated polymers (named as PDMC), which was synthesized through chain transfer free radical polymerization using cysteamine hydrochloride as chain transfer agent and methacryloxyethyltrimethyl ammonium chloride as the monomer. PDMC perfectly conjugated with CNT-PDA was ascertained by a series of characterization techniques including transmission electron microscopy (TEM), Fourier transform infrared spectroscopy (FT-IR), thermal gravimetric analysis (TGA) and X-ray photoelectron spectroscopy (XPS). The dispersibility of obtained CNT nanocomposites (named as CNT-PDA-PDMC) was further examined. Results showed that the dispersibility of CNT-PDA-PDMC in aqueous and organic solutions was obviously enhanced. Apart from PDMC, many other amino-terminated polymers can also be used to functionalization of CNTs via similar strategy. Therefore, the method described in this work should be a general strategy for fabrication various polymer nanocomposites.

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

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

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.

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.

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)

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...

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.

The Development of a Combined Search for a Heterogeneous Chemistry Database

Directory of Open Access Journals (Sweden)

Lulu Jiang

2015-05-01

Full Text Available A combined search, which joins a slow molecule structure search with a fast compound property search, results in more accurate search results and has been applied in several chemistry databases. However, the problems of search speed differences and combining the two separate search results are two major challenges. In this paper, two kinds of search strategies, synchronous search and asynchronous search, are proposed to solve these problems in the heterogeneous structure database and the property database found in ChemDB, a chemistry database owned by the Institute of Process Engineering, CAS. Their advantages and disadvantages under different conditions are discussed in detail. Furthermore, we applied these two searches to ChemDB and used them to screen for potential molecules that can work as CO2 absorbents. The results reveal that this combined search discovers reasonable target molecules within an acceptable time frame.

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.)

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)

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.

Managing Zirconium Chemistry and Phase Compatibility in Combined Process Separations for Minor Actinide Partitioning

Energy Technology Data Exchange (ETDEWEB)

Wall, Nathalie [Washington State Univ., Pullman, WA (United States); Nash, Ken [Washington State Univ., Pullman, WA (United States); Martin, Leigh [Washington State Univ., Pullman, WA (United States)

2017-03-17

In response to the NEUP Program Supporting Fuel Cycle R&D Separations and Waste Forms call DEFOA- 0000799, this report describes the results of an R&D project focusing on streamlining separation processes for advanced fuel cycles. An example of such a process relevant to the U.S. DOE FCR&D program would be one combining the functions of the TRUEX process for partitioning of lanthanides and minor actinides from PUREX(UREX) raffinates with that of the TALSPEAK process for separating transplutonium actinides from fission product lanthanides. A fully-developed PUREX(UREX)/TRUEX/TALSPEAK suite would generate actinides as product(s) for reuse (or transmutation) and fission products as waste. As standalone, consecutive unit-operations, TRUEX and TALSPEAK employ different extractant solutions (solvating (CMPO, octyl(phenyl)-N,Ndiisobutylcarbamoylmethylphosphine oxide) vs. cation exchanging (HDEHP, di-2(ethyl)hexylphosphoric acid) extractants), and distinct aqueous phases (2-4 M HNO₃ vs. concentrated pH 3.5 carboxylic acid buffers containing actinide selective chelating agents). The separate processes may also operate with different phase transfer kinetic constraints. Experience teaches (and it has been demonstrated at the lab scale) that, with proper control, multiple process separation systems can operate successfully. However, it is also recognized that considerable economies of scale could be achieved if multiple operations could be merged into a single process based on a combined extractant solvent. The task of accountability of nuclear materials through the process(es) also becomes more robust with fewer steps, providing that the processes can be accurately modeled. Work is underway in the U.S. and Europe on developing several new options for combined processes (TRUSPEAK, ALSEP, SANEX, GANEX, ExAm are examples). There are unique challenges associated with the operation of such processes, some relating to organic phase chemistry, others arising from the

Towards combined global monthly gravity field solutions

Science.gov (United States)

Jaeggi, Adrian; Meyer, Ulrich; Beutler, Gerhard; Weigelt, Matthias; van Dam, Tonie; Mayer-Gürr, Torsten; Flury, Jakob; Flechtner, Frank; Dahle, Christoph; Lemoine, Jean-Michel; Bruinsma, Sean

2014-05-01

Currently, official GRACE Science Data System (SDS) monthly gravity field solutions are generated independently by the Centre for Space Research (CSR) and the German Research Centre for Geosciences (GFZ). Additional GRACE SDS monthly fields are provided by the Jet Propulsion Laboratory (JPL) for validation and outside the SDS by a number of other institutions worldwide. Although the adopted background models and processing standards have been harmonized more and more by the various processing centers during the past years, notable differences still exist and the users are more or less left alone with a decision which model to choose for their individual applications. This procedure seriously limits the accessibility of these valuable data. Combinations are well established in the area of other space geodetic techniques, such as the Global Navigation Satellite Systems (GNSS), Satellite Laser Ranging (SLR), and Very Long Baseline Interferometry (VLBI). Regularly comparing and combining space-geodetic products has tremendously increased the usefulness of the products in a wide range of disciplines and scientific applications. Therefore, we propose in a first step to mutually compare the large variety of available monthly GRACE gravity field solutions, e.g., by assessing the signal content over selected regions, by estimating the noise over the oceans, and by performing significance tests. We make the attempt to assign different solution characteristics to different processing strategies in order to identify subsets of solutions, which are based on similar processing strategies. Using these subsets we will in a second step explore ways to generate combined solutions, e.g., based on a weighted average of the individual solutions using empirical weights derived from pair-wise comparisons. We will also assess the quality of such a combined solution and discuss the potential benefits for the GRACE and GRACE-FO user community, but also address minimum processing

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)

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.

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.

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.

Chemistry and biology by new multiple choice

International Nuclear Information System (INIS)

Seo, Hyeong Seok; Kim, Seong Hwan

2003-02-01

This book is divided into two parts, the first part is about chemistry, which deals with science of material, atom structure and periodic law, chemical combination and power between molecule, state of material and solution, chemical reaction and an organic compound. The second part give description of biology with molecule and cell, energy in cells and chemical synthesis, molecular biology and heredity, function on animal, function on plant and evolution and ecology. This book has explanation of chemistry and biology with new multiple choice.

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

Liquid flow along a solid surface reversibly alters interfacial chemistry.

Science.gov (United States)

Lis, Dan; Backus, Ellen H G; Hunger, Johannes; Parekh, Sapun H; Bonn, Mischa

2014-06-06

In nature, aqueous solutions often move collectively along solid surfaces (for example, raindrops falling on the ground and rivers flowing through riverbeds). However, the influence of such motion on water-surface interfacial chemistry is unclear. In this work, we combine surface-specific sum frequency generation spectroscopy and microfluidics to show that at immersed calcium fluoride and fused silica surfaces, flow leads to a reversible modification of the surface charge and subsequent realignment of the interfacial water molecules. Obtaining equivalent effects under static conditions requires a substantial change in bulk solution pH (up to 2 pH units), demonstrating the coupling between flow and chemistry. These marked flow-induced variations in interfacial chemistry should substantially affect our understanding and modeling of chemical processes at immersed surfaces. Copyright © 2014, American Association for the Advancement of Science.

Inkjet printing for biosensor fabrication: combining chemistry and technology for advanced manufacturing.

Science.gov (United States)

Li, Jia; Rossignol, Fabrice; Macdonald, Joanne

2015-06-21

Inkjet printing is emerging at the forefront of biosensor fabrication technologies. Parallel advances in both ink chemistry and printers have led to a biosensor manufacturing approach that is simple, rapid, flexible, high resolution, low cost, efficient for mass production, and extends the capabilities of devices beyond other manufacturing technologies. Here we review for the first time the factors behind successful inkjet biosensor fabrication, including printers, inks, patterning methods, and matrix types. We discuss technical considerations that are important when moving beyond theoretical knowledge to practical implementation. We also highlight significant advances in biosensor functionality that have been realised through inkjet printing. Finally, we consider future possibilities for biosensors enabled by this novel combination of chemistry and technology.

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.

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.

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.

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

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

Combination of monthly gravity field solutions from different processing centers

Science.gov (United States)

Jean, Yoomin; Meyer, Ulrich; Jäggi, Adrian

2015-04-01

Currently, the official GRACE Science Data System (SDS) monthly gravity field solutions are generated independently by the Centre for Space Research (CSR) and the German Research Centre for Geosciences (GFZ). Additional GRACE SDS monthly fields are provided by the Jet Propulsion Laboratory (JPL) for validation and outside the SDS by a number of other institutions worldwide. Although the adopted background models and processing standards have been harmonized more and more by the various processing centers during the past years, notable differences still exist and the users are more or less left alone with a decision which model to choose for their individual applications. Combinations are well-established in the area of other space geodetic techniques, such as the Global Navigation Satellite Systems (GNSS), Satellite Laser Ranging (SLR), and Very Long Baseline Interferometry (VLBI), where regular comparisons and combinations of space-geodetic products have tremendously increased the usefulness of the products in a wide range of disciplines and scientific applications. In the frame of the recently started Horizon 2020 project European Gravity Service for Improved Emergency Management (EGSIEM), a scientific combination service shall therefore be established to deliver the best gravity products for applications in Earth and environmental science research based on the unified knowledge of the European GRACE community. In a first step the large variety of available monthly GRACE gravity field solutions shall be mutually compared spatially and spectrally. We assess the noise of the raw as well as filtered solutions and compare the secular and seasonal periodic variations fitted to the monthly solutions. In a second step we will explore ways to generate combined solutions, e.g., based on a weighted average of the individual solutions using empirical weights derived from pair-wise comparisons. We will also assess the quality of such a combined solution and discuss the

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.

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.

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.)

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)

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...

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...

Combination of Cyclodextrin and Ionic Liquid in Analytical Chemistry: Current and Future Perspectives.

Science.gov (United States)

Hui, Boon Yih; Raoov, Muggundha; Zain, Nur Nadhirah Mohamad; Mohamad, Sharifah; Osman, Hasnah

2017-09-03

The growth in driving force and popularity of cyclodextrin (CDs) and ionic liquids (ILs) as promising materials in the field of analytical chemistry has resulted in an exponentially increase of their exploitation and production in analytical chemistry field. CDs belong to the family of cyclic oligosaccharides composing of α-(1,4) linked glucopyranose subunits and possess a cage-like supramolecular structure. This structure enables chemical reactions to proceed between interacting ions, radical or molecules in the absence of covalent bonds. Conversely, ILs are an ionic fluids comprising of only cation and anion often with immeasurable vapor pressure making them as green or designer solvent. The cooperative effect between CD and IL due to their fascinating properties, have nowadays contributed their footprints for a better development in analytical chemistry nowadays. This comprehensive review serves to give an overview on some of the recent studies and provides an analytical trend for the application of CDs with the combination of ILs that possess beneficial and remarkable effects in analytical chemistry including their use in various sample preparation techniques such as solid phase extraction, magnetic solid phase extraction, cloud point extraction, microextraction, and separation techniques which includes gas chromatography, high-performance liquid chromatography, capillary electrophoresis as well as applications of electrochemical sensors as electrode modifiers with references to recent applications. This review will highlight the nature of interactions and synergic effects between CDs, ILs, and analytes. It is hoped that this review will stimulate further research in analytical chemistry.

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.

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)

A Unique Master's Program in Combined Nuclear Technology and Nuclear Chemistry at Chalmers University of Technology, Sweden

International Nuclear Information System (INIS)

Skarnemark, Gunnar; Allard, Stefan; Ekberg, Christian; Nordlund, Anders

2009-01-01

The need for engineers and scientists who can ensure safe and secure use of nuclear energy is large in Sweden and internationally. Chalmers University of Technology is therefore launching a new 2-year master's program in Nuclear Engineering, with start from the autumn of 2009. The program is open to Swedish and foreign students. The program starts with compulsory courses dealing with the basics of nuclear chemistry and physics, radiation protection, nuclear power and reactors, nuclear fuel supply, nuclear waste management and nuclear safety and security. There are also compulsory courses in nuclear industry applications and sustainable energy futures. The subsequent elective courses can be chosen freely but there is also a possibility to choose informal tracks that concentrate on nuclear chemistry or reactor technology and physics. The nuclear chemistry track comprises courses in e.g. chemistry of lanthanides, actinides and transactinides, solvent extraction, radioecology and radioanalytical chemistry and radiopharmaceuticals. The program is finished with a one semester thesis project. This is probably a unique master program in the sense of its combination of deep courses in both nuclear technology and nuclear chemistry.

Photoresponsive Azopolyester–PMMA Block Copolymers Obtained by Combination of ATRP, Polycondensation, and “Click” Chemistry

DEFF Research Database (Denmark)

Berges, Cristina; Javakhishvili, Irakli; Hvilsted, Søren

2012-01-01

Novel azobenzene‐containing block copolymers (BCs) with a polyester block bearing azobenzene moieties in the side chain and a poly (methyl methacrylate) (PMMA) block have been synthesized by the combination of atom transfer radical polymerization (ATRP), polycondensation, and “click” chemistry. Two...

Recent results from the chemistry of recoiling carbon and silicon atoms: The interplay between hot atom chemistry and gas kinetics

International Nuclear Information System (INIS)

Gaspar, P.P.; Garmestani, K.; Ferrieri, R.A.; Wolf, A.P.

1990-01-01

Recent results from the chemistry of recoiling carbon and silicon atoms illustrate the power of an experimental approach to the solution of complex mechanistic problems that combines the study of the reactions of recoiling atoms with conventional gas kinetic techniques. Included will be the reactions of 11 C atoms with anisole, addressing the question whether an aromatic pi-electron system can compete as a reactive site with carbon-hydrogen bonds

Combining metadynamics simulation and experiments to characterize dendrimers in solution

NARCIS (Netherlands)

Pavan, G.M.; Barducci, A.; Albertazzi, L.; Parrinello, M.

2013-01-01

We report a combined theoretical-experimental approach to characterize dendrimers and Polyethylene Glycol (PEG)-dendrimer hybrids in solution. Well-tempered metadynamics simulation allows for an exhaustive sampling of the conformational fluctuations in solution. In contrast to classical molecular

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...

Mixing of two solutions combined by gravity drainage.

Science.gov (United States)

Leuptow, R M; Smith, K; Mockros, L F

1995-01-01

A variety of medical therapies require the mixing of solutions from two separate bags before use. One scenario for the mixing is to drain the solution from one bag into the other by gravity through a short connecting tube. The degree of mixing in the lower bag depends on the relative densities of the two solutions, the geometry of the two bags and the connecting tube, and the placement of the connecting tube. Solutions with densities differing by as much as 12% were mixed by draining the solution from an upper bag into a lower bag for a particular geometric configuration. The two solutions had different electrical conductivities, and the conductivity of the combined solution as it exited from the lower bag was used as a measure of the effectiveness of mixing. When the more dense solution was drained from the upper bag into the less dense solution in a lower bag, mixing was very effective. The incoming jet of high density solution entrained the low density solution. Flow visualization indicated that the incoming jet penetrated to the bottom of the lower bag, and resulting large vortical structures enhanced mixing. When the less dense solution was drained from the upper bag into the more dense solution in the lower bag mixing was less effective. The buoyancy force reduced the momentum of the incoming jet such that it did not penetrate to the bottom of the lower bag, resulting in stratification of the solutions.

Exact Solutions to a Combined sinh-cosh-Gordon Equation

International Nuclear Information System (INIS)

Wei Long

2010-01-01

Based on a transformed Painleve property and the variable separated ODE method, a function transformation method is proposed to search for exact solutions of some partial differential equations (PDEs) with hyperbolic or exponential functions. This approach provides a more systematical and convenient handling of the solution process of this kind of nonlinear equations. Its key point is to eradicate the hyperbolic or exponential terms by a transformed Painleve property and reduce the given PDEs to a variable-coefficient ordinary differential equations, then we seek for solutions to the resulting equations by some methods. As an application, exact solutions for the combined sinh-cosh-Gordon equation are formally derived. (general)

Combining research in physical chemistry and chemical education: Part A. The femtosecond molecular dynamics of small gas-phase anion clusters. Part B. Surveying student beliefs about chemistry and the development of physical chemistry learning tutorials

Science.gov (United States)

Barbera, Jack

2007-12-01

This dissertation combines work in the areas of experimental physical chemistry and chemical education. In the area of physical chemistry, femtosecond pump-probe spectroscopy is used to interrogate the time-dependence for energy redistribution, solvent reorientation, and dissociation dynamics in small gas-phase anion clusters. The chemical education research addressed in this manuscript include the development and validation of a survey to measure students' beliefs about chemistry and the learning of chemistry and the development and testing of learning tutorials for use in undergraduate physical chemistry courses in thermodynamics and kinetics. In the first part of this dissertation, the Cu(CD3OD) dynamics are investigated using a combination of femtosecond pump-probe experiments and ab initio calculations. Dissociation of this complex into Cu and CD3OD occurs on two distinct time scales: 3 and 30 ps, which arise, respectively, from the coupling of intermolecular solvent rotations and excited methyl rotor rotation into the Cu-O dissociation component upon electron photodetachment of the precursor anion. In the second part of this dissertation, the time-resolved recombination of photodissociated IBr-(CO2)n (n = 5 - 10) cluster anions is investigated. Upon excitation to the A' 2pi 1/2 state of the chromophore, the bare anion results in I- and Br products, upon solvation with CO2, the IBr- chromophore regains near-IR absorption after recombination and vibrational relaxation on the ground electronic state. The recombination times vary with the number of solvent molecules from 12 ps for n = 5 to 900 ps for n = 10. Extensive electronic structure and non-adiabatic molecular dynamic simulations provide a framework to understand this behavior. In the third part of this dissertation, the modification and validation of the Colorado Learning Attitudes about Science Survey (CLASS) for use in chemistry is presented in detail. The CLASS survey is designed to measure student

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

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

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)

Combining metabolic engineering and biocompatible chemistry for high-yield production of homo-diacetyl and homo-(S,S)-2,3-butanediol

DEFF Research Database (Denmark)

Liu, Jianming; Chan, Siu Hung Joshua; Brock-Nannestad, Theis

2016-01-01

Biocompatible chemistry is gaining increasing attention because of its potential within biotechnology for expanding the repertoire of biological transformations carried out by enzymes. Here we demonstrate how biocompatible chemistry can be used for synthesizing valuable compounds as well as for l...... of 82%. The diacetyl and S-BDO production rates and yields obtained are the highest ever reported, demonstrating the promising combination of metabolic engineering and biocompatible chemistry as well as the great potential of L. lactis as a new production platform.......Biocompatible chemistry is gaining increasing attention because of its potential within biotechnology for expanding the repertoire of biological transformations carried out by enzymes. Here we demonstrate how biocompatible chemistry can be used for synthesizing valuable compounds as well...

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 (...

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.

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.

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

Radiation chemistry and advanced polymer materials studied by picosecond pulse radiolysis combined with femtosecond laser

International Nuclear Information System (INIS)

Tagawa, S.; Yoshida, Y.; Miki, M.; Yamamoto, T.; Ushida, K.; Izumi, Y.

1996-01-01

We have synchronized a single picosecond MeV electron pulse from L-band linear accelerator (linac) of The Institute of Scientific and Industrial Research of Osaka University to a single femtosecond laser pulse of Ti:Sapphire laser. It is an essential technique for the future femtosecond pulse radiolysis and is also applied to many kinds of combined application of more than two different beams from accelerators in very short time range. Radiation chemistry and new type of polymers have been studied by LL (laser-linac) twin picosecond pulse radiolysis. Especially the early events in radiation chemistry such as geminate recombination processes of electrons and radical cations are have been studied in both liquids and solids. (author)

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)

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)

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

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...

Supramolecular Pharmaceutical Sciences: A Novel Concept Combining Pharmaceutical Sciences and Supramolecular Chemistry with a Focus on Cyclodextrin-Based Supermolecules.

Science.gov (United States)

Higashi, Taishi; Iohara, Daisuke; Motoyama, Keiichi; Arima, Hidetoshi

2018-01-01

Supramolecular chemistry is an extremely useful and important domain for understanding pharmaceutical sciences because various physiological reactions and drug activities are based on supramolecular chemistry. However, it is not a major domain in the pharmaceutical field. In this review, we propose a new concept in pharmaceutical sciences termed "supramolecular pharmaceutical sciences," which combines pharmaceutical sciences and supramolecular chemistry. This concept could be useful for developing new ideas, methods, hypotheses, strategies, materials, and mechanisms in pharmaceutical sciences. Herein, we focus on cyclodextrin (CyD)-based supermolecules, because CyDs have been used not only as pharmaceutical excipients or active pharmaceutical ingredients but also as components of supermolecules.

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.

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…

Evaluating the effects of variable water chemistry on bacterial transport during infiltration.

Science.gov (United States)

Zhang, Haibo; Nordin, Nahjan Amer; Olson, Mira S

2013-07-01

Bacterial infiltration through the subsurface has been studied experimentally under different conditions of interest and is dependent on a variety of physical, chemical and biological factors. However, most bacterial transport studies fail to adequately represent the complex processes occurring in natural systems. Bacteria are frequently detected in stormwater runoff, and may present risk of microbial contamination during stormwater recharge into groundwater. Mixing of stormwater runoff with groundwater during infiltration results in changes in local solution chemistry, which may lead to changes in both bacterial and collector surface properties and subsequent bacterial attachment rates. This study focuses on quantifying changes in bacterial transport behavior under variable solution chemistry, and on comparing the influences of chemical variability and physical variability on bacterial attachment rates. Bacterial attachment rate at the soil-water interface was predicted analytically using a combined rate equation, which varies temporally and spatially with respect to changes in solution chemistry. Two-phase Monte Carlo analysis was conducted and an overall input-output correlation coefficient was calculated to quantitatively describe the importance of physiochemical variation on the estimates of attachment rate. Among physical variables, soil particle size has the highest correlation coefficient, followed by porosity of the soil media, bacterial size and flow velocity. Among chemical variables, ionic strength has the highest correlation coefficient. A semi-reactive microbial transport model was developed within HP1 (HYDRUS1D-PHREEQC) and applied to column transport experiments with constant and variable solution chemistries. Bacterial attachment rates varied from 9.10×10(-3)min(-1) to 3.71×10(-3)min(-1) due to mixing of synthetic stormwater (SSW) with artificial groundwater (AGW), while bacterial attachment remained constant at 9.10×10(-3)min(-1) in a constant

Medicinal electrochemistry: integration of electrochemistry, medicinal chemistry and computational chemistry.

Science.gov (United States)

Almeida, M O; Maltarollo, V G; de Toledo, R A; Shim, H; Santos, M C; Honorio, K M

2014-01-01

Over the last centuries, there were many important discoveries in medicine that were crucial for gaining a better understanding of several physiological processes. Molecular modelling techniques are powerful tools that have been successfully used to analyse and interface medicinal chemistry studies with electrochemical experimental results. This special combination can help to comprehend medicinal chemistry problems, such as predicting biological activity and understanding drug action mechanisms. Electrochemistry has provided better comprehension of biological reactions and, as a result of many technological improvements, the combination of electrochemical techniques and biosensors has become an appealing choice for pharmaceutical and biomedical analyses. Therefore, this review will briefly outline the present scope and future advances related to the integration of electrochemical and medicinal chemistry approaches based on various applications from recent studies.

Influence of radiolytic products on the chemistry of uranium VI in brines

International Nuclear Information System (INIS)

Lucchini, J-F.; Reed, D.T.; Borkowski, M.; Rafalski, A.; Conca, J.

2004-01-01

In the near field of a salt repository of nuclear waste, ionizing radiations can strongly affect the chemistry of concentrated saline solutions. Radiolysis can locally modify the redox conditions, speciation, solubility and mobility of the actinide compounds. In the case of uranium VI, radiolytic products can not only reduce U(VI), but also react with uranium species. The net effect on the speciation of uranyl depends on the relative kinetics of the reactions and the buildup of molecular products in brine solutions. The most important molecular products in brines are expected to be hypochlorite ion, hypochlorous acid and hydrogen peroxide. Although U(VI) is expected not to be significantly affected by radiolysis, the combined effects of the major molecular radiolytic products on the chemistry of U(VI) in brines have not been experimentally established previously. (authors)

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

Life's Biological Chemistry: A Destiny or Destination Starting from Prebiotic Chemistry?

Science.gov (United States)

Krishnamurthy, Ramanarayanan

2018-06-05

Research into understanding the origins -and evolution- of life has long been dominated by the concept of taking clues from extant biology and extrapolating its molecules and pathways backwards in time. This approach has also guided the search for solutions to the problem of how contemporary biomolecules would have arisen directly from prebiotic chemistry on early earth. However, the continuing difficulties in finding universally convincing solutions in connecting prebiotic chemistry to biological chemistry should give us pause, and prompt us to rethink this concept of treating extant life's chemical processes as the sole end goal and, therefore, focusing only -and implicitly- on the respective extant chemical building blocks. Rather, it may be worthwhile "to set aside the goal" and begin with what would have been plausible prebiotic reaction mixtures (which may have no obvious or direct connection to life's chemical building blocks and processes) - and allow their chemistries and interactions, under different geochemical constraints, to guide and illuminate as to what processes and systems can emerge. Such a conceptual approach gives rise to the prospect that chemistry of life-as-we-know-it is not the only result (not a "destiny"), but one that has emerged among many potential possibilities (a "destination"). This postulate, in turn, could impact the way we think about chemical signatures and criteria used in the search for alternative and extraterrestrial "life". As a bonus, we may discover the chemistries and pathways naturally that led to the emergence of life as we know it. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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.)

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

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.

Combination of graph heuristics in producing initial solution of curriculum based course timetabling problem

Science.gov (United States)

Wahid, Juliana; Hussin, Naimah Mohd

2016-08-01

The construction of population of initial solution is a crucial task in population-based metaheuristic approach for solving curriculum-based university course timetabling problem because it can affect the convergence speed and also the quality of the final solution. This paper presents an exploration on combination of graph heuristics in construction approach in curriculum based course timetabling problem to produce a population of initial solutions. The graph heuristics were set as single and combination of two heuristics. In addition, several ways of assigning courses into room and timeslot are implemented. All settings of heuristics are then tested on the same curriculum based course timetabling problem instances and are compared with each other in terms of number of population produced. The result shows that combination of saturation degree followed by largest degree heuristic produce the highest number of population of initial solutions. The results from this study can be used in the improvement phase of algorithm that uses population of initial solutions.

A New Global Vertical Land Movement Data Set from the TIGA Combined Solution

Science.gov (United States)

Hunegnaw, Addisu; Teferle, Felix Norman; Ebuy Abraha, Kibrom; Santamaría-Gómez, Alvaro; Gravelle, Médéric; Wöppelman, Guy; Schöne, Tilo; Deng, Zhiguo; Bingley, Richard; Hansen, Dionne Nicole; Sanchez, Laura; Moore, Michael; Jia, Minghai

2017-04-01

Globally averaged sea level has been estimated from the network of tide gauges installed around the world since the 19th century. These mean sea level (MSL) records provide sea level relative to a nearby tide gauge benchmark (TGBM), which allows for the continuation of the instrumental record in time. Any changes in the benchmark levels, induced by vertical land movements (VLM) affect the MSL records and hence sea level estimates. Over the last two decades sea level has also been observed using satellite altimeters. While the satellite observations are globally more homogeneous providing a picture of sea level not confined to coastlines, they require the VLM-corrected MSL records for the bias calibration of instrumental drifts. Without this calibration altimeter instruments from different missions cannot be combined. GPS has made it possible to obtain highly accurate estimates of VLM in a geocentric reference frame for stations at or close to tide gauges. Under the umbrella of the International GNSS Service (IGS), the Tide Gauge Benchmark Monitoring (TIGA) Working Group (WG) has been established to apply the expertise of the GNSS community to solving issues related to the accuracy and reliability of the vertical component to provide estimates of VLM in a well-defined global reference frame. To achieve this objective, five TIGA Analysis Centers (TACs) contributed re-processed global GPS network solutions to TIGA, employing the latest bias models and processing strategies in accordance with the second re-processing campaign (repro2) of the IGS. These solutions include those of the British Isles continuous GNSS Facility - University of Luxembourg consortium (BLT), the German Research Centre for Geosciences (GFZ) Potsdam, the German Geodetic Research Institute (DGF) at the Technical University of Munich, Geoscience Australia (AUT) and the University of La Rochelle (ULR). In this study we present to the sea level community an evaluation of the VLM estimates from the

K-maps: a vehicle to an optimal solution in combinational logic ...

African Journals Online (AJOL)

K-maps: a vehicle to an optimal solution in combinational logic design problems using digital multiplexers. ... Abstract. Application of Karnaugh maps (K-Maps) for the design of combinational logic circuits and sequential logic circuits is a subject that has been widely discussed. However, the use of K-Maps in the design of ...

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

Radiation chemistry of the liquid state

International Nuclear Information System (INIS)

Buxton, G.V.

1987-01-01

More is known about the radiation chemistry of water than any other liquid. From a practical viewpoint out knowledge is virtually complete, and water radiolysis now provides a very convenient way of generating an enormous variety of unstable species under well-defined conditions. This facility, coupled with the techniques of pulse radiolysis, has opened up new areas in aqueous inorganic, organic, and biochemistry that cannot be readily studied by thermal or photochemical methods. This chapter is aimed, therefore, at those who wish to use radiolytic methods to generate and study unstable species in aqueous solution. The basic features of the radiation chemistry of water are described first to show how the primary radical and molecular products evolve with time and to delineate the bounds of useful experimental conditions. Next, the properties of the primary radicals are summarized, and examples are given to show how the primary radicals can be converted into secondary radicals, often of a single kind. This is an important aspect of the radiation chemistry of aqueous solutions. Lastly, the impact of our knowledge of the radiation chemistry of water on advances in general chemistry is illustrated by examples from the fields of inorganic and organic chemistry

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)

The chemistry of the actinide elements. Volume I

International Nuclear Information System (INIS)

Katz, J.J.; Seaborg, G.T.; Morss, L.R.

1986-01-01

The Chemistry of the Actinide Elements is a comprehensive, contemporary and authoritative exposition of the chemistry and related properties of the 5f series of elements: actinium, thorium, protactinium, uranium and the first eleven. This second edition has been completely restructured and rewritten to incorporate current research in all areas of actinide chemistry and chemical physics. The descriptions of each element include accounts of their history, separation, metallurgy, solid-state chemistry, solution chemistry, thermo-dynamics and kinetics. Additionally, separate chapters on spectroscopy, magnetochemistry, thermodynamics, solids, the metallic state, complex ions and organometallic compounds emphasize the comparative chemistry and unique properties of the actinide series of elements. Comprehensive lists of properties of all actinide compounds and ions in solution are given, and there are special sections on such topics as biochemistry, superconductivity, radioisotope safety, and waste management, as well as discussion of the transactinides and future elements

Exploration Of `Click' Chemistry For Microelectronic Applications

Science.gov (United States)

Musa, Osama M.; Sridhar, Laxmisha M.

The ‘Click’ chemistry was explored for low temperature snap cure and for possible use as an adhesion promoter in electronic applications. Several azide and alkyne resins were synthesized and their curing potential was evaluated with a special emphasis on exploring Cu(I) catalyst effect. The preliminary curing study in the absence of catalysts showed a strong dependence of cure temperatures on the electronic nature of alkynes. The cure temperatures showed a tendency to increase with decreasing electronegativity of the substituent on alkynes. The capability of Cu(I) catalysts to accelerate the ‘Click’ chemistry was demonstrated for the first time in bulk phase. Using several Cu(I) catalysts, the cure temperatures could be lowered by as much as 40-100°C compared to the control, depending on the nature of catalyst and the catalyst loading. We discovered a novel synergistic effect between Cu(I) and silver filler in lowering the cure temperatures. Using this combination, lower cure temperatures could be obtained than using either alone. Among several resins screened, one resin system has shown promise for 80°C snap-cure in which the aforementioned synergistic effect is operative. Solution phase ‘Click’ chemistry was employed for the synthesis of a hybrid triazole-epoxy resin system. This system was found to cure without added amine curative. The triazole group here serves as a linker as well as an internal adhesion promoter. To address the incompatibility and volatility issues, which arose during evaluation, a controlled oligomerization method has been developed using controlled heating of azides and alkynes in solution phase.

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.

Degradation of Highly Alloyed Metal Halide Perovskite Precursor Inks: Mechanism and Storage Solutions

Energy Technology Data Exchange (ETDEWEB)

Dou, Benjia [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Wheeler, Lance M [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Christians, Jeffrey A [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Moore, David [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Harvey, Steven P [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Berry, Joseph J [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Van Hest, Marinus F [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Barnes, Frank S. [University of Colorado; Shaheen, Sean E. [University of Colorado

2018-03-02

Whereas the promise of metal halide perovskite (MHP) photovoltaics (PV) is that they can combine high efficiency with solution-processability, the chemistry occurring in precursor inks is largely unexplored. Herein, we investigate the degradation of MHP solutions based on the most widely used solvents, dimethylformamide (DMF) and dimethyl sulfoxide (DMSO). For the MHP inks studied, which contain formamidinium (FA+), methylammonium (MA+), cesium (Cs+), lead (Pb2+), bromide (Br-), and iodide (I-), dramatic compositional changes are observed following storage of the inks in nitrogen in the dark. We show that hydrolysis of DMF in the precursor solution forms dimethylammonium formate, which subsequently incorporates into the MHP film to compromise the ability of Cs+ and MA+ to stabilize FA+-based MHP. The changes in solution chemistry lead to a modification of the perovskite film stoichiometry, band gap, and structure. The solid precursor salts are stable when ball-milled into a powder, allowing for the storage of large quantities of stoichiometric precursor materials.

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)

Combining Chemical Information Literacy, Communication Skills, Career Preparation, Ethics, and Peer Review in a Team-Taught Chemistry Course

Science.gov (United States)

Jones, Mary Lou Baker; Seybold, Paul G.

2016-01-01

The widely acknowledged need to include chemical information competencies and communication skills in the undergraduate chemistry curriculum can be accommodated in a variety of ways. We describe a team-taught, semester-length course at Wright State University which combines chemical information literacy, written and oral communication skills,…

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.

Brahmaputra river basin groundwater: Solute distribution, chemical evolution and arsenic occurrences in different geomorphic settings

Directory of Open Access Journals (Sweden)

Swati Verma

2015-09-01

New hydrological insights for the region: Most groundwater solutes of RCD and YA terrains were derived from both silicate weathering and carbonate dissolution, while silicate weathering process dominates the solute contribution in OA groundwater. Groundwater samples from all terrains are postoxic with mean pe values between Fe(III and As(V–As(III reductive transition. While, reductive dissolution of (Fe–MnOOH is the dominant mechanism of As mobilization in RCD and YA aquifers, As in OA and PD aquifers could be mobilized by combined effect of pH dependent sorption and competitive ion exchange. The present study focuses on the major ion chemistry as well as the chemistry of the redox sensitive solutes of the groundwater in different geomorphic settings and their links to arsenic mobilization in groundwater.

A global limit load solution for plates with surface cracks under combined end force and cross-thickness bending

International Nuclear Information System (INIS)

Lei Yuebao; Fox, Mike J.H.

2011-01-01

A global limit load solution for rectangular surface cracks in plates under combined end force and cross-thickness bending is derived, which allows any combination of positive/negative end force and positive/negative cross-thickness moment. The solution is based on the net-section plastic collapse concept and, therefore, gives limit load values based on the Tresca yielding criterion. Solutions for both cases with and without crack face contact are derived when whole or part of the crack is located in the compressive stress zone. From the solution, particular global limit load solutions for plates with extended surface cracks and through-thickness cracks under the same loading conditions are obtained. The solution is consistent with the limit load solution for surface cracks in plates under combined tension and positive bending due to Goodall and Webster and Lei when both the applied end force and bending moment are positive. The solution reduces to the limit load solution for plain plates under combined end force and cross-thickness bending when the crack vanishes. - Highlights: → A global limit load solution for plates with surface cracks in plates is derived. → Combined positive/negative end force and positive/negative cross-thickness moment are considered. → The solution is based on the net-section plastic collapse concept.

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

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

Combined treatment technology based on synergism between hydrodynamic cavitation and advanced oxidation processes.

Science.gov (United States)

Gogate, Parag R; Patil, Pankaj N

2015-07-01

The present work highlights the novel approach of combination of hydrodynamic cavitation and advanced oxidation processes for wastewater treatment. The initial part of the work concentrates on the critical analysis of the literature related to the combined approaches based on hydrodynamic cavitation followed by a case study of triazophos degradation using different approaches. The analysis of different combinations based on hydrodynamic cavitation with the Fenton chemistry, advanced Fenton chemistry, ozonation, photocatalytic oxidation, and use of hydrogen peroxide has been highlighted with recommendations for important design parameters. Subsequently degradation of triazophos pesticide in aqueous solution (20 ppm solution of commercially available triazophos pesticide) has been investigated using hydrodynamic cavitation and ozonation operated individually and in combination for the first time. Effect of different operating parameters like inlet pressure (1-8 bar) and initial pH (2.5-8) have been investigated initially. The effect of addition of Fenton's reagent at different loadings on the extent of degradation has also been investigated. The combined method of hydrodynamic cavitation and ozone has been studied using two approaches of injecting ozone in the solution tank and at the orifice (at the flow rate of 0.576 g/h and 1.95 g/h). About 50% degradation of triazophos was achieved by hydrodynamic cavitation alone under optimized operating parameters. About 80% degradation of triazophos was achieved by combination of hydrodynamic cavitation and Fenton's reagent whereas complete degradation was achieved using combination of hydrodynamic cavitation and ozonation. TOC removal of 96% was also obtained for the combination of ozone and hydrodynamic cavitation making it the best treatment strategy for removal of triazophos. Copyright © 2014 Elsevier B.V. All rights reserved.

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

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.

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

EGSIEM combination service: combination of GRACE monthly K-band solutions on normal equation level

Science.gov (United States)

Meyer, Ulrich; Jean, Yoomin; Arnold, Daniel; Jäggi, Adrian

2017-04-01

The European Gravity Service for Improved Emergency Management (EGSIEM) project offers a scientific combination service, combining for the first time monthly GRACE gravity fields of different analysis centers (ACs) on normal equation (NEQ) level and thus taking all correlations between the gravity field coefficients and pre-eliminated orbit and instrument parameters correctly into account. Optimal weights for the individual NEQs are commonly derived by variance component estimation (VCE), as is the case for the products of the International VLBI Service (IVS) or the DTRF2008 reference frame realisation that are also derived by combination on NEQ-level. But variance factors are based on post-fit residuals and strongly depend on observation sampling and noise modeling, which both are very diverse in case of the individual EGSIEM ACs. These variance factors do not necessarily represent the true error levels of the estimated gravity field parameters that are still governed by analysis noise. We present a combination approach where weights are derived on solution level, thereby taking the analysis noise into account.

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.

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

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 ...

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

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.

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

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

Hitch code capabilities for modeling AVT chemistry

International Nuclear Information System (INIS)

Leibovitz, J.

1985-01-01

Several types of corrosion have damaged alloy 600 tubing in the secondary side of steam generators. The types of corrosion include wastage, denting, intergranular attack, stress corrosion, erosion-corrosion, etc. The environments which cause attack may originate from leaks of cooling water into the condensate, etc. When the contaminated feedwater is pumped into the generator, the impurities may concentrate first 200 to 400 fold in the bulk water, depending on the blowdown, and then further to saturation and dryness in heated tube support plate crevices. Characterization of local solution chemistries is the first step to predict and correct the type of corrosion that can occur. The pH is of particular importance because it is a major factor governing the rate of corrosion reactions. The pH of a solution at high temperature is not the same as the ambient temperature, since ionic dissociation constants, solubility and solubility products, activity coefficients, etc., all change with temperature. Because the high temperature chemistry of such solutions is not readily characterized experimentally, modeling techniques were developed under EPRI sponsorship to calculate the high temperature chemistry of the relevant solutions. In many cases, the effects of cooling water impurities on steam generator water chemistry with all volatile treatment (AVT), upon concentration by boiling, and in particular the resulting acid or base concentration can be calculated by a simple code, the HITCH code, which is very easy to use. The scope and applicability of the HITCH code are summarized

Supramolecular chemistry at interfaces: host-guest interactions for fabricating multifunctional biointerfaces.

Science.gov (United States)

Yang, Hui; Yuan, Bin; Zhang, Xi; Scherman, Oren A

2014-07-15

. We begin by reviewing the current state of stimuli-responsive supramolecular assemblies formed by host-guest interactions, discussing how to transfer host-guest chemistry from solution onto surfaces required for fabricating multifunctional biosurfaces and biointerfaces. Then, we present different stimuli-responsive biosurfaces and biointerfaces, which have been prepared through a combination of cyclodextrin- or cucurbituril-based host-guest chemistry and various surface technologies such as self-assembled monolayers or layer-by-layer assembly. Moreover, we discuss the applications of these biointerfaces and biosurfaces in the fields of drug release, reversible adsorption and release of some organic molecules, peptides, proteins, and cells, and photoswitchable bioelectrocatalysis. In addition, we summarize the merits and current limitations of these methods for fabricating multifunctional stimuli-responsive biointerfaces in a dynamic noncovalent manner. Finally, we present possible strategies for future designs of stimuli-responsive multifunctional biointerfaces and biosurfaces by combining host-guest chemistry with surface science, which will lead to further critical development of supramolecular chemistry at interfaces.

Computational chemistry research

Science.gov (United States)

Levin, Eugene

1987-01-01

Task 41 is composed of two parts: (1) analysis and design studies related to the Numerical Aerodynamic Simulation (NAS) Extended Operating Configuration (EOC) and (2) computational chemistry. During the first half of 1987, Dr. Levin served as a member of an advanced system planning team to establish the requirements, goals, and principal technical characteristics of the NAS EOC. A paper entitled 'Scaling of Data Communications for an Advanced Supercomputer Network' is included. The high temperature transport properties (such as viscosity, thermal conductivity, etc.) of the major constituents of air (oxygen and nitrogen) were correctly determined. The results of prior ab initio computer solutions of the Schroedinger equation were combined with the best available experimental data to obtain complete interaction potentials for both neutral and ion-atom collision partners. These potentials were then used in a computer program to evaluate the collision cross-sections from which the transport properties could be determined. A paper entitled 'High Temperature Transport Properties of Air' is included.

Efficient on-chip hotspot removal combined solution of thermoelectric cooler and mini-channel heat sink

International Nuclear Information System (INIS)

Hao, Xiaohong; Peng, Bei; Xie, Gongnan; Chen, Yi

2016-01-01

Highlights: • A combined solution of thermoelectric cooler (TEC) and mini-channel heat sink to remove the hotspot of the chip has been proposed. • The TEC's mathematical model is established to assess its work performance. • A comparative study on the proposed efficient On-Chip Hotspot Removal Combined Solution. - Abstract: Hotspot will significantly degrade the reliability and performance of the electronic equipment. The efficient removal of hotspot can make the temperature distribution uniform, and ensure the reliable operation of the electronic equipment. This study proposes a combined solution of thermoelectric cooler (TEC) and mini-channel heat sink to remove the hotspot of the chip in the electronic equipment. Firstly, The TEC's mathematical model is established to assess its work performance under different boundary conditions. Then, the hotspot removal capability of the TEC is discussed for different cooling conditions, which has shown that the combined equipment has better hotspot removal capability compared with others. Finally, A TEC is employed to investigate the hotspot removal capacity of the combined solution, and the results have indicated that it can effectively remove hotspot in the diameter of 0.5 mm, the power density of 600W/cm 2 when its working current is 3A and heat transfer thermal resistance is 0 K/W.

Combination of GRACE monthly gravity field solutions from different processing strategies

Science.gov (United States)

Jean, Yoomin; Meyer, Ulrich; Jäggi, Adrian

2018-02-01

We combine the publicly available GRACE monthly gravity field time series to produce gravity fields with reduced systematic errors. We first compare the monthly gravity fields in the spatial domain in terms of signal and noise. Then, we combine the individual gravity fields with comparable signal content, but diverse noise characteristics. We test five different weighting schemes: equal weights, non-iterative coefficient-wise, order-wise, or field-wise weights, and iterative field-wise weights applying variance component estimation (VCE). The combined solutions are evaluated in terms of signal and noise in the spectral and spatial domains. Compared to the individual contributions, they in general show lower noise. In case the noise characteristics of the individual solutions differ significantly, the weighted means are less noisy, compared to the arithmetic mean: The non-seasonal variability over the oceans is reduced by up to 7.7% and the root mean square (RMS) of the residuals of mass change estimates within Antarctic drainage basins is reduced by 18.1% on average. The field-wise weighting schemes in general show better performance, compared to the order- or coefficient-wise weighting schemes. The combination of the full set of considered time series results in lower noise levels, compared to the combination of a subset consisting of the official GRACE Science Data System gravity fields only: The RMS of coefficient-wise anomalies is smaller by up to 22.4% and the non-seasonal variability over the oceans by 25.4%. This study was performed in the frame of the European Gravity Service for Improved Emergency Management (EGSIEM; http://www.egsiem.eu) project. The gravity fields provided by the EGSIEM scientific combination service (ftp://ftp.aiub.unibe.ch/EGSIEM/) are combined, based on the weights derived by VCE as described in this article.

Heat-induced-radiolabeling and click chemistry: A powerful combination for generating multifunctional nanomaterials.

Directory of Open Access Journals (Sweden)

Hushan Yuan

Full Text Available A key advantage of nanomaterials for biomedical applications is their ability to feature multiple small reporter groups (multimodality, or combinations of reporter groups and therapeutic agents (multifunctionality, while being targeted to cell surface receptors. Here a facile combination of techniques for the syntheses of multimodal, targeted nanoparticles (NPs is presented, whereby heat-induced-radiolabeling (HIR labels NPs with radiometals and so-called click chemistry is used to attach bioactive groups to the NP surface. Click-reactive alkyne or azide groups were first attached to the nonradioactive clinical Feraheme (FH NPs. Resulting "Alkyne-FH" and "Azide-FH" intermediates, like the parent NP, tolerated 89Zr labeling by the HIR method previously described. Subsequently, biomolecules were quickly conjugated to the radioactive NPs by either copper-catalyzed or copper-free click reactions with high efficiency. Synthesis of the Alkyne-FH or Azide-FH intermediates, followed by HIR and then by click reactions for biomolecule attachment, provides a simple and potentially general path for the synthesis of multimodal, multifunctional, and targeted NPs for biomedical applications.

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.

A Titanium–Organic Framework as an Exemplar of Combining the Chemistry of Metal– and Covalent–Organic Frameworks

Energy Technology Data Exchange (ETDEWEB)

Nguyen, Ha L.; Gándara, Felipe; Furukawa, Hiroyasu; Doan, Tan L. H.; Cordova, Kyle E.; Yaghi, Omar M.

2016-04-06

A crystalline material with a two-dimensional structure, termed metal–organic framework-901 (MOF-901), was prepared using a strategy that combines the chemistry of MOFs and covalent–organic frameworks (COFs). This strategy involves in situ generation of an amine-functionalized titanium oxo cluster, Ti6O6(OCH3)6(AB)6 (AB = 4-aminobenzoate), which was linked with benzene-1,4-dialdehyde using imine condensation reactions, typical of COFs. The crystal structure of MOF-901 is composed of hexagonal porous layers that are likely stacked in staggered conformation (hxl topology). This MOF represents the first example of combining metal cluster chemistry with dynamic organic covalent bond formation to give a new crystalline, extended framework of titanium metal, which is rarely used in MOFs. The incorporation of Ti(IV) units made MOF-901 useful in the photocatalyzed polymerization of methyl methacrylate (MMA). The resulting polyMMA product was obtained with a high-number-average molar mass (26 850 g mol–1) and low polydispersity index (1.6), which in many respects are better than those achieved by the commercially available photocatalyst (P-25 TiO2). Additionally, the catalyst can be isolated, reused, and recycled with no loss in performance.

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)

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.

The process chemistry of the extraction and electrowinning of silver

International Nuclear Information System (INIS)

Hoffmann, J.E.

2001-01-01

Conventional processing of Ag-bearing materials containing Au and Pt group metals involves smelting the material to bullion and purification of the Ag by electrorefining (ER). Au and Pt-group metals are recovered from the slimes generated by the Ag ER process. An alternative process that allows extraction of Ag from such feed materials using a combination of sulfate and nitrate chemistry is presented. The AgNO 3 solution produced is purified hydrolytically, and Ag is recovered as high purity crystals by electrowinning (EW). Advantages of the process include: production of high purity Ag, separation of precious metals from Ag at the head of the process, and elimination of the classical pyrometallurgical treatment processes with their attendant generation of recycle slags and challenging emission problems. This paper discusses the process chemistry and engineering of the process and provides information on its commercial application. (author)

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

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

Solute-matrix and Solute-Solute Interactions during Supercritical Fluid Extraction of Sea Buckthorn Leaves

Czech Academy of Sciences Publication Activity Database

Sajfrtová, Marie; Sovová, Helena

2012-01-01

Roč. 42, SI (2012), s. 1682-1691 E-ISSN 1877-7058. [International Congress of Chemical and Process Engineering CHISA 2012 and 15th Conference PRES 2012 /20./. Prague, 25.08.2012-29.08.2012] R&D Projects: GA TA ČR TA01010578 Institutional support: RVO:67985858 Keywords : supercritical fluid extraction * sea buckthom leaves * solute-solute interaction Subject RIV: CI - Industrial Chemistry, Chemical Engineering

Towards efficient next generation light sources: combined solution processed and evaporated layers for OLEDs

Science.gov (United States)

Hartmann, D.; Sarfert, W.; Meier, S.; Bolink, H.; García Santamaría, S.; Wecker, J.

2010-05-01

Typically high efficient OLED device structures are based on a multitude of stacked thin organic layers prepared by thermal evaporation. For lighting applications these efficient device stacks have to be up-scaled to large areas which is clearly challenging in terms of high through-put processing at low-cost. One promising approach to meet cost-efficiency, high through-put and high light output is the combination of solution and evaporation processing. Moreover, the objective is to substitute as many thermally evaporated layers as possible by solution processing without sacrificing the device performance. Hence, starting from the anode side, evaporated layers of an efficient white light emitting OLED stack are stepwise replaced by solution processable polymer and small molecule layers. In doing so different solutionprocessable hole injection layers (= polymer HILs) are integrated into small molecule devices and evaluated with regard to their electro-optical performance as well as to their planarizing properties, meaning the ability to cover ITO spikes, defects and dust particles. Thereby two approaches are followed whereas in case of the "single HIL" approach only one polymer HIL is coated and in case of the "combined HIL" concept the coated polymer HIL is combined with a thin evaporated HIL. These HIL architectures are studied in unipolar as well as bipolar devices. As a result the combined HIL approach facilitates a better control over the hole current, an improved device stability as well as an improved current and power efficiency compared to a single HIL as well as pure small molecule based OLED stacks. Furthermore, emitting layers based on guest/host small molecules are fabricated from solution and integrated into a white hybrid stack (WHS). Up to three evaporated layers were successfully replaced by solution-processing showing comparable white light emission spectra like an evaporated small molecule reference stack and lifetime values of several 100 h.

Covalent electron transfer chemistry of graphene with diazonium salts.

Science.gov (United States)

Paulus, Geraldine L C; Wang, Qing Hua; Strano, Michael S

2013-01-15

Graphene is an atomically thin, two-dimensional allotrope of carbon with exceptionally high carrier mobilities, thermal conductivity, and mechanical strength. From a chemist's perspective, graphene can be regarded as a large polycyclic aromatic molecule and as a surface without a bulk contribution. Consequently, chemistries typically performed on organic molecules and surfaces have been used as starting points for the chemical functionalization of graphene. The motivations for chemical modification of graphene include changing its doping level, opening an electronic band gap, charge storage, chemical and biological sensing, making new composite materials, and the scale-up of solution-processable graphene. In this Account, we focus on graphene functionalization via electron transfer chemistries, in particular via reactions with aryl diazonium salts. Because electron transfer chemistries depend on the Fermi energy of graphene and the density of states of the reagents, the resulting reaction rate depends on the number of graphene layers, edge states, defects, atomic structure, and the electrostatic environment. We limit our Account to focus on pristine graphene over graphene oxide, because free electrons in the latter are already bound to oxygen-containing functionalities and the resulting chemistries are dominated by localized reactivity and defects. We describe the reaction mechanism of diazonium functionalization of graphene and show that the reaction conditions determine the relative degrees of chemisorption and physisorption, which allows for controlled modulation of the electronic properties of graphene. Finally we discuss different applications for graphene modified by this chemistry, including as an additive in polymer matrices, as biosensors when coupled with cells and biomolecules, and as catalysts when combined with nanoparticles.

Multi-Scale Modeling of the Gamma Radiolysis of Nitrate Solutions.

Science.gov (United States)

Horne, Gregory P; Donoclift, Thomas A; Sims, Howard E; Orr, Robin M; Pimblott, Simon M

2016-11-17

A multiscale modeling approach has been developed for the extended time scale long-term radiolysis of aqueous systems. The approach uses a combination of stochastic track structure and track chemistry as well as deterministic homogeneous chemistry techniques and involves four key stages: radiation track structure simulation, the subsequent physicochemical processes, nonhomogeneous diffusion-reaction kinetic evolution, and homogeneous bulk chemistry modeling. The first three components model the physical and chemical evolution of an isolated radiation chemical track and provide radiolysis yields, within the extremely low dose isolated track paradigm, as the input parameters for a bulk deterministic chemistry model. This approach to radiation chemical modeling has been tested by comparison with the experimentally observed yield of nitrite from the gamma radiolysis of sodium nitrate solutions. This is a complex radiation chemical system which is strongly dependent on secondary reaction processes. The concentration of nitrite is not just dependent upon the evolution of radiation track chemistry and the scavenging of the hydrated electron and its precursors but also on the subsequent reactions of the products of these scavenging reactions with other water radiolysis products. Without the inclusion of intratrack chemistry, the deterministic component of the multiscale model is unable to correctly predict experimental data, highlighting the importance of intratrack radiation chemistry in the chemical evolution of the irradiated system.

Radiation chemistry and its application

International Nuclear Information System (INIS)

Majima, Tetsuro

2013-01-01

Effects of radiation to human body have been seriously discussed nowadays. These are important issues for the realization of sustainable society. It should be emphasized that various reactive intermediates generated by radiation play important roles in each cases. Radiation chemical studies will provide various reaction-mechanistic aspects on these important issues. Our research group has continuously carried out reaction-mechanistic studies using radiation chemical methods. From these studies, we have obtained a variety of results on basic molecular systems, reactions, materials that are close to practical application, biological systems and so on. Reactive species are generated from the radiation reactions in solution, and can be used as one-electron oxidative and reductive reagent to give selectively radical cation and anion of solute molecules such as various organic and inorganic molecules. Therefore, the radiation chemistry has contributed significantly to chemistry in which one-electron oxidation and reduction play the important role. The kinetics of such redox processes and the following reduction play the important role. The kinetics of such redox processes and the following reactions can be studied in real time with the transition absorption measurement by the pulse radiolysis technique. Even though the target compounds cannot be oxidized and reduced in chemical or electrochemical oxidation and reduction, their one-electron redox can be performed by the electron beam radiation. Therefore, radiation chemistry is very useful technique for basic science. Moreover, application potentials of radiation chemistry are so high for various research subjects. Moreover, application potentials of radiation chemistry are so high for various research subjects

The global warming potential of methane reassessed with combined stratosphere and troposphere chemistry

Science.gov (United States)

Holmes, C. D.; Archibald, A. T.; Eastham, S. D.; Søvde, O. A.

2017-12-01

Methane is a direct and indirect greenhouse gas. The direct greenhouse effect comes from the radiation absorbed and emitted by methane itself. The indirect greenhouse effect comes from radiatively active gases that are produced during methane oxidation: principally O3, H2O, and CO2. Methane also suppresses tropospheric OH, which indirectly affects numerous greenhouses gases and aerosols. Traditionally, the methane global warming potential (GWP) has included the indirect effects on tropospheric O3 and OH and stratospheric H2O, with these effects estimated independently from unrelated tropospheric and stratospheric chemistry models and observations. Using this approach the CH4 is about 28 over 100 yr (without carbon cycle feedbacks, IPCC, 2013). Here we present a comprehensive analysis of the CH4 GWP in several 3-D global atmospheric models capable of simulating both tropospheric and stratospheric chemistry (GEOS-Chem, Oslo CTM3, UKCA). This enables us to include, for the first time, the indirect effects of CH4 on stratospheric O3 and stratosphere-troposphere coupling. We diagnose the GWP from paired simulations with and without a 5% perturbation to tropospheric CH4 concentrations. Including stratospheric chemistry nearly doubles the O3 contribution to CH4 GWP because of O3 production in the lower stratosphere and because CH4 inhibits Cl-catalyzed O3 loss in the upper stratosphere. In addition, stratosphere-troposphere coupling strengthens the chemical feedback on its own lifetime. In the stratosphere, this feedback operates by a CH4 perturbation thickening the stratospheric O3 layer, which impedes UV-driven OH production in the troposphere and prolongs the CH4 lifetime. We also quantify the impact of CH4-derived H2O on the stratospheric HOx cycles but these effects are small. Combining all of the above, these models suggest that the 100-yr GWP of CH4 is over 33.5, a 20% increase over the latest IPCC assessment.

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 .

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.

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.

Non-uniform Solute Segregation at Semi-Coherent Metal/Oxide Interfaces

Science.gov (United States)

Choudhury, Samrat; Aguiar, Jeffery A.; Fluss, Michael J.; Hsiung, Luke L.; Misra, Amit; Uberuaga, Blas P.

2015-08-01

The properties and performance of metal/oxide nanocomposites are governed by the structure and chemistry of the metal/oxide interfaces. Here we report an integrated theoretical and experimental study examining the role of interfacial structure, particularly misfit dislocations, on solute segregation at a metal/oxide interface. We find that the local oxygen environment, which varies significantly between the misfit dislocations and the coherent terraces, dictates the segregation tendency of solutes to the interface. Depending on the nature of the solute and local oxygen content, segregation to misfit dislocations can change from attraction to repulsion, revealing the complex interplay between chemistry and structure at metal/oxide interfaces. These findings indicate that the solute chemistry at misfit dislocations is controlled by the dislocation density and oxygen content. Fundamental thermodynamic concepts - the Hume-Rothery rules and the Ellingham diagram - qualitatively predict the segregation behavior of solutes to such interfaces, providing design rules for novel interfacial chemistries.

Efficacy and safety of fixed-combination bimatoprost/timolol ophthalmic solution

OpenAIRE

Moon, Suk Bae; Han, Sang Beom

2017-01-01

Suk Bae Moon,1 Sang Beom Han21Department of Surgery, Kangwon National University Hospital, Kangwon National University Graduate School of Medicine, Chuncheon, Korea, 2Department of Ophthalmology, Kangwon National University Hospital, Kangwon National University Graduate School of Medicine, Chuncheon, KoreaWe read, with interest, the article by Sun et al1 entitled “Patient satisfaction with fixed-combination bimatoprost/timolol ophthalmic solution: a survey study in patients with gla...

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)

Ablation, Thermal Response, and Chemistry Program for Analysis of Thermal Protection Systems

Science.gov (United States)

Milos, Frank S.; Chen, Yih-Kanq

2010-01-01

In previous work, the authors documented the Multicomponent Ablation Thermochemistry (MAT) and Fully Implicit Ablation and Thermal response (FIAT) programs. In this work, key features from MAT and FIAT were combined to create the new Fully Implicit Ablation, Thermal response, and Chemistry (FIATC) program. FIATC is fully compatible with FIAT (version 2.5) but has expanded capabilities to compute the multispecies surface chemistry and ablation rate as part of the surface energy balance. This new methodology eliminates B' tables, provides blown species fractions as a function of time, and enables calculations that would otherwise be impractical (e.g. 4+ dimensional tables) such as pyrolysis and ablation with kinetic rates or unequal diffusion coefficients. Equations and solution procedures are presented, then representative calculations of equilibrium and finite-rate ablation in flight and ground-test environments are discussed.

Basic Chemistry for the Cement Industry.

Science.gov (United States)

Turner, Mason

This combined student workbook and instructor's guide contains nine units for inplant classes on basic chemistry for employees in the cement industry. The nine units cover the following topics: chemical basics; measurement; history of cement; atoms; bonding and chemical formulas; solids, liquids, and gases; chemistry of Portland cement…

Potential alteration of precipitation chemistry by epiphytic lichens

Energy Technology Data Exchange (ETDEWEB)

Lang, G E; Reiners, W A; Heier, R K

1976-01-01

Epiphytic lichen growth is abundant on the boles and branches of balsam fir trees at high elevations in New Hampshire. These lichens absorb elements needed for growth from solutions flowing over their surfaces and from direct impaction of water droplets. This study describes how epiphytic lichens and fir needles altered the chemistry of simulated rain water solutions under laboratory conditions. Experiments showed: 1) lichens absorbed ammonium and nitrate from solution; the rate of uptake increased with increasing temperature of the solution, 2) lichens lost calcium, magnesium, and hydrogen to the solution, 3) lichen thalli also initially lost potassium, but in time, net movement was reversed back into the thallus, 4) cation movement increased with increasing temperature, and 5) fir needles responded in a manner similar to that of the lichens, but the amount of change was much less. From these results it seems that epiphytic lichens have potential ecological importance in altering the chemistry of throughfall and stemflow.

The Combined Effects of Classroom Teaching and Learning Strategy Use on Students' Chemistry Self-Efficacy

Science.gov (United States)

Cheung, Derek

2015-02-01

For students to be successful in school chemistry, a strong sense of self-efficacy is essential. Chemistry self-efficacy can be defined as students' beliefs about the extent to which they are capable of performing specific chemistry tasks. According to Bandura (Psychol. Rev. 84:191-215, 1977), students acquire information about their level of self-efficacy from four sources: performance accomplishments, vicarious experiences, verbal persuasion, and physiological states. No published studies have investigated how instructional strategies in chemistry lessons can provide students with positive experiences with these four sources of self-efficacy information and how the instructional strategies promote students' chemistry self-efficacy. In this study, questionnaire items were constructed to measure student perceptions about instructional strategies, termed efficacy-enhancing teaching, which can provide positive experiences with the four sources of self-efficacy information. Structural equation modeling was then applied to test a hypothesized mediation model, positing that efficacy-enhancing teaching positively affects students' chemistry self-efficacy through their use of deep learning strategies such as metacognitive control strategies. A total of 590 chemistry students at nine secondary schools in Hong Kong participated in the survey. The mediation model provided a good fit to the student data. Efficacy-enhancing teaching had a direct effect on students' chemistry self-efficacy. Efficacy-enhancing teaching also directly affected students' use of deep learning strategies, which in turn affected students' chemistry self-efficacy. The implications of these findings for developing secondary school students' chemistry self-efficacy are discussed.

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

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.

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

Reaction Pathways in Catechol/Primary Amine Mixtures: A Window on Crosslinking Chemistry.

Directory of Open Access Journals (Sweden)

Juan Yang

Full Text Available Catechol chemistry is used as a crosslinking tool abundantly in both natural organisms (e.g. mussels, sandcastle worms and synthetic systems to achieve the desired mechanical properties. Despite this abundance and success, the crosslinking chemistry is still poorly understood. In this study, to simplify the system, yet to capture the essential chemistry, model compounds 4-methyl catechol and propylamine are used. The reaction of 4-methyl catechol (2 mM with propylamine (6 mM is carried out in the presence of NaIO4 (2 mM in 10 mM Na2CO3 aqueous solution. A variety of spectroscopic/spectrometric and chromatographic methods such as 1H NMR, LC-MS, and UV-VIS are used to track the reaction and identify the products/intermediates. It is found that the crosslinking chemistry of a catechol and an amine is both fast and complicated. Within five minutes, more than 60 products are formed. These products encompass 19 different masses ranging from molecular weight of 179 to 704. By combining time-dependent data, it is inferred that the dominant reaction pathways: the majority is formed via aryloxyl-phenol coupling and Michael-type addition, whereas a small fraction of products is formed via Schiff base reactions.

The development and chemistry of high efficiency combined cycle plants

International Nuclear Information System (INIS)

Svoboda, Robert

1999-01-01

This paper presents a boiler concept based on the combination of a low-pressure drum-type boiler with high-pressure once-through boiler and the appropriate water/steam cycle. An all volatile treatment is used in the low-pressure boiler and oxygenated treatment for the once-through high pressure system. Impurity control is achieved by adapted system design and materials, high quality make-up, an appropriate cleanliness concept and clean-up procedures for a cold start. Cycle refreshing is realized by blowdown from the high-pressure water-separator. This concept utilizes simper and less equipment than traditional solutions, resulting in increased power plant reliability and less requirement on maintenance and on capital cost [it

Fuel Chemistry Division: progress report for 1985

International Nuclear Information System (INIS)

1988-01-01

Fuel Chemistry Division was formed in May 1985 to give a larger emphasis on the research and development in chemistry of the nuclear fuel cycle. The areas of research in Fuel Chemistry Division are fuel development and its chemical quality control, understanding of the fuel behaviour and post irradiation examinations, chemistry of reprocessing and waste management processes as also the basic aspects of actinide and relevant fission product elements. This report summarises the work by the staff of the Division during 1985 and also some work from the previous periods which was not reported in the progress reports of the Radiochemistry Division. The work related to the FBTR fuel was one of the highlights during this period. In the area of process chemistry useful work has been carried out for processing of plutonium bearing solutions. In the area of mass spectrometry, the determination of trace constituents by spark source mass spectrometry has been a major area of research. Significant progress has also been made in the use of alpha spectromet ry techniques for the determination of plutonium in dissolver solution and other samples. The technology of plutonium utilisation is quite complex and the Division would continue to look into the chemical aspects of this technology and provide the necessary base for future developments in this area. (author)

Trace electrochemical analysis of Europium, Ytterbium, and Cerium at their joint presence in solution

Directory of Open Access Journals (Sweden)

Rema Matakova

2012-03-01

Full Text Available In the course of several decades at the department of analytical chemistry and chemistry of rare elements there were studied the electrode processes with participation of rare-earth metals (REM in accordance with the long awaiting problem of the development of rare-metal and rare-earth branch of non-ferrous metallurgy of Kazakhstan. With the aim of express and highly sensitive analytical control of raw materials and final product of rare-earth industry there were developed the methods of inversion-voltamperometric determination of low concentrations of europium, ytterbium and cerium under the conditions of their individual and combined presence in the solution.

Handbook of relativistic quantum chemistry

International Nuclear Information System (INIS)

Liu, Wenjian

2017-01-01

This handbook focuses on the foundations of relativistic quantum mechanics and addresses a number of fundamental issues never covered before in a book. For instance: How can many-body theory be combined with quantum electrodynamics? How can quantum electrodynamics be interfaced with relativistic quantum chemistry? What is the most appropriate relativistic many-electron Hamiltonian? How can we achieve relativistic explicit correlation? How can we formulate relativistic properties? - just to name a few. Since relativistic quantum chemistry is an integral component of computational chemistry, this handbook also supplements the ''Handbook of Computational Chemistry''. Generally speaking, it aims to establish the 'big picture' of relativistic molecular quantum mechanics as the union of quantum electrodynamics and relativistic quantum chemistry. Accordingly, it provides an accessible introduction for readers new to the field, presents advanced methodologies for experts, and discusses possible future perspectives, helping readers understand when/how to apply/develop the methodologies.

Nitrogen Compounds in Radiation Chemistry

International Nuclear Information System (INIS)

Sims, H.E.; Dey, G.R.; Vaudey, C.E.; Peaucelle, C.; Boucher, J.L.; Toulhoat, N.; Bererd, N.; Koppenol, W.H.; Janata, E.; Dauvois, V.; Durand, D.; Legand, S.; Roujou, J.L.; Doizi, D.; Dannoux, A.; Lamouroux, C.

2009-01-01

Water radiolysis in presence of N 2 is probably the topic the most controversy in the field of water radiolysis. It still exists a strong discrepancy between the different reports of ammonia formation by water radiolysis in presence of N 2 and moreover in absence of oxygen there is no agreement on the formation or not of nitrogen oxide like NO 2 - and NO 3 -. These discrepancies come from multiple sources: - the complexity of the reaction mechanisms where nitrogen is involved - the experimental difficulties - and, the irradiation conditions. The aim of the workshop is to capitalize the knowledge needed to go further in simulations and understanding the problems caused (or not) by the presence of nitrogen / water in the environment of radioactive materials. Implications are evident in terms of corrosion, understanding of biological systems and atmospheric chemistry under radiation. Topics covered include experimental and theoretical approaches, application and fundamental researches: - Nitrate and Ammonia in radiation chemistry in nuclear cycle; - NOx in biological systems and atmospheric chemistry; - Formation of Nitrogen compounds in Nuclear installations; - Nitrogen in future power plant projects (Gen4, ITER...) and large particle accelerators. This document gathers the transparencies available for 7 of the presentations given at this workshop. These are: - H.E SIMS: 'Radiation Chemistry of Nitrogen Compounds in Nuclear Power Plant'; - G.R. DEY: 'Nitrogen Compounds Formation in the Radiolysis of Aqueous Solutions'; - C.E. VAUDEY et al.: 'Radiolytic corrosion of nuclear graphite studied with the dedicated gas irradiation cell of IPNL'; - J.L. BOUCHER: 'Roles and biosynthesis of NO in eukaryotes and prokaryotes'; - W.H. KOPPENOL: 'Chemistry of NOx'; - E. JANATA: 'Yield of OH in N 2 O saturated aqueous solution'; - V. DAUVOIS: 'Analytical strategy for the study of radiolysis gases'

Kraft lignin chain extension chemistry via propargylation, oxidative coupling, and Claisen rearrangement.

Science.gov (United States)

Sen, Sanghamitra; Sadeghifar, Hasan; Argyropoulos, Dimitris S

2013-10-14

Despite its aromatic and polymeric nature, the heterogeneous, stochastic, and reactive characteristics of softwood kraft lignin seriously limit its potential for thermoplastic applications. Our continuing efforts toward creating thermoplastic lignin polymers are now focused at exploring propargylation derivatization chemistry and its potential as a versatile novel route for the eventual utilization of technical lignins with a significant amount of molecular control. To do this, we initially report the systematic propargylation of softwood kraft lignin. The synthesized derivatives were extensively characterized with thermal methods (DSC, TGA), (1)H, (13)C, and quantitative (31)P NMR and IR spectroscopies. Further on, we explore the versatile nature of the lignin pendant propargyl groups by demonstrating two distinct chain extension chemistries; the solution-based, copper-mediated, oxidative coupling and the thermally induced, solid-state, Claissen rearrangement polymerization chemistries. Overall, we show that it is possible to modulate the reactivity of softwood kraft lignin via a combination of methylation and chain extension providing a rational means for the creation of higher molecular weight polymers with the potential for thermoplastic materials and carbon fibers with the desired control of structure-property relations.

Handbook of relativistic quantum chemistry

Energy Technology Data Exchange (ETDEWEB)

Liu, Wenjian (ed.) [Peking Univ., Beijing (China). Center for Computational Science and Engineering

2017-03-01

This handbook focuses on the foundations of relativistic quantum mechanics and addresses a number of fundamental issues never covered before in a book. For instance: How can many-body theory be combined with quantum electrodynamics? How can quantum electrodynamics be interfaced with relativistic quantum chemistry? What is the most appropriate relativistic many-electron Hamiltonian? How can we achieve relativistic explicit correlation? How can we formulate relativistic properties? - just to name a few. Since relativistic quantum chemistry is an integral component of computational chemistry, this handbook also supplements the ''Handbook of Computational Chemistry''. Generally speaking, it aims to establish the 'big picture' of relativistic molecular quantum mechanics as the union of quantum electrodynamics and relativistic quantum chemistry. Accordingly, it provides an accessible introduction for readers new to the field, presents advanced methodologies for experts, and discusses possible future perspectives, helping readers understand when/how to apply/develop the methodologies.

Ions in solution basic principles of chemical interactions

CERN Document Server

Burgess, J

1999-01-01

This outline of the principles and chemical interactions in inorganic solution chemistry delivers a course module in an area of considerable complexity. Problems with solutions and tutorial hints to test comprehension have been added as a feature to check readers' understanding and assist self-study. Exercises and projects are also provided to help readers deepen and extend their knowledge and understanding. Inorganic solution chemistry is treated thoroughly Emphasis is placed upon NMR, UV-VIS, IR Raman spectroscopy, X-ray diffraction, and such topics as acid-base behaviour, stability constants and kinetics.

A context based approach using Green Chemistry/Bio-remediation principles to enhance interest and learning of organic chemistry in a high school AP chemistry classroom

Science.gov (United States)

Miller, Tricia

The ability of our planet to sustain life and heal itself is not as predictable as it used to be. Our need for educated future scientists who know what our planet needs, and can passionately apply that knowledge to find solutions should be at the heart of science education today. This study of learning organic chemistry through the lens of the environmental problem "What should be done with our food scraps?" explores student interest, and mastery of certain concepts in organic chemistry. This Green Chemistry/ Bio-remediation context-based teaching approach utilizes the Nature MillRTM, which is an indoor food waste composting machine, to learn about organic chemistry, and how this relates to landfill reduction possibilities, and resource production. During this unit students collected food waste from their cafeteria, and used the Nature MillRTM to convert food waste into compost. The use of these hands on activities, and group discussions in a context-based environment enhanced their interest in organic chemistry, and paper chromatography. According to a one-tailed paired T-test, the result show that this context-based approach is a significant way to increase both student interest and mastery of the content.

Coupling between water chemistry and thermal output at unsaturated repositories

International Nuclear Information System (INIS)

Walton, J.; LeMone, D.; Casey, D.

1995-01-01

This paper summarizes issues in predicting thermohydrology in the near field of a deep geological repository and the implications for performance assessment. Predicted thermohydrology depends on waste package design, and particularly on backfill materials. The coupling between solute concentrations and thermal gradients leads to a prediction of highly variable water chemistry in the near field which is radically different than the initial, undisturbed water chemistry; however, most analyses to date assume that waste package chemistry is approximately the same as initial pore water chemistry. Several alternative, simplified approaches for performance assessment are discussed

Combining metabolic engineering and biocompatible chemistry for high-yield production of homo-diacetyl and homo-(S,S)-2,3-butanediol.

Science.gov (United States)

Liu, Jianming; Chan, Siu Hung Joshua; Brock-Nannestad, Theis; Chen, Jun; Lee, Sang Yup; Solem, Christian; Jensen, Peter Ruhdal

2016-07-01

Biocompatible chemistry is gaining increasing attention because of its potential within biotechnology for expanding the repertoire of biological transformations carried out by enzymes. Here we demonstrate how biocompatible chemistry can be used for synthesizing valuable compounds as well as for linking metabolic pathways to achieve redox balance and rescued growth. By comprehensive rerouting of metabolism, activation of respiration, and finally metal ion catalysis, we successfully managed to convert the homolactic bacterium Lactococcus lactis into a homo-diacetyl producer with high titer (95mM or 8.2g/L) and high yield (87% of the theoretical maximum). Subsequently, the pathway was extended to (S,S)-2,3-butanediol (S-BDO) through efficiently linking two metabolic pathways via chemical catalysis. This resulted in efficient homo-S-BDO production with a titer of 74mM (6.7g/L) S-BDO and a yield of 82%. The diacetyl and S-BDO production rates and yields obtained are the highest ever reported, demonstrating the promising combination of metabolic engineering and biocompatible chemistry as well as the great potential of L. lactis as a new production platform. Copyright © 2016 International Metabolic Engineering Society. Published by Elsevier Inc. All rights reserved.

The Combined Effects of Classroom Teaching and Learning Strategy Use on Students' Chemistry Self-Efficacy

Science.gov (United States)

Cheung, Derek

2015-01-01

For students to be successful in school chemistry, a strong sense of self-efficacy is essential. Chemistry self-efficacy can be defined as students' beliefs about the extent to which they are capable of performing specific chemistry tasks. According to Bandura ("Psychol. Rev." 84:191-215, 1977), students acquire information about their…

Chemistry Division. Quarterly progress report for period ending June 30, 1949

Energy Technology Data Exchange (ETDEWEB)

1949-09-14

Progress reports are presented for the following tasks: (1) nuclear and chemical properties of heavy elements (solution chemistry, phase rule studies); (2) nuclear and chemical properties of elements in the fission product region; (3) general nuclear chemistry; (4) radio-organic chemistry; (5) chemistry of separations processes; (6) physical chemistry and chemical physics; (7) radiation chemistry; (8) physical measurements and instrumentation; and (9) analytical chemistry. The program of the chemistry division is divided into two efforts of approximately equal weight with respect to number of personnel, chemical research, and analytical service for the Laboratory. The various research problems fall into the following classifications: (1) chemical separation processes for isolation and recovery of fissionable material, production of radioisotopes, and military applications; (2) reactor development; and (3) fundamental research.

Forefront of PUREX system engineering. Chemistry and engineering of ruthenium, technetium and neptunium

International Nuclear Information System (INIS)

2004-07-01

The paper reports the activity of the research committee organized by the Atomic Energy Society of Japan on 'Ruthenium and Technetium Chemistry in the PUREX System', with focusing on basic behaviors of ruthenium, technetium and neptunium in the PUREX process, the principles of plant design, and behaviors during the final waste treatment. The scope of the work includes the following major topics: (1) basic solution and solid-state chemistry; (2) basic solution and solid-state chemistry of minor actinides in particular, Np; (3) partitioning chemistry in the PUREX system and environmental behavior of the components; (4) processes of recovery, purification, and utilization of rare metal fission products; (5) field data on plant design, operation, decontamination, and decommissioning; (6) numerical process simulations and process control technologies; (7) compilation of a data base for process chemistry and plant engineering. (S. Ohno)

Combined solitary-wave solution for coupled higher-order nonlinear Schroedinger equations

International Nuclear Information System (INIS)

Tian Jinping; Tian Huiping; Li Zhonghao; Zhou Guosheng

2004-01-01

Coupled nonlinear Schroedinger equations model several interesting physical phenomena. We used a trigonometric function transform method based on a homogeneous balance to solve the coupled higher-order nonlinear Schroedinger equations. We obtained four pairs of exact solitary-wave solutions including a dark and a bright-soliton pair, a bright- and a dark-soliton pair, a bright- and a bright-soliton pair, and the last pair, a combined bright-dark-soliton pair

Spectroscopy and chemistry of uranium IV

International Nuclear Information System (INIS)

Folcher, G.; Rigny, P.

1980-06-01

Different fundamental research papers on uranium IV are presented, some were never edited. Molecular spectroscopy was used for identification and structural study of uranium IV in aqueous or organic solutions. The fields studied are: coordination, stereochemistry, electronic structure and chemical properties. For interpretation of results some studies were made with solid compounds or with thorium compounds or thorium complexes. Knowledge of actinides chemistry is improved, uranium and thorium being models for 5 f ions, extractive chemistry is better understood and new applications are possible [fr

Variability in chemistry of surface and soil waters of an ...

African Journals Online (AJOL)

Water chemistry is important for the maintenance of wetland structure and function. Interpreting ecological patterns in a wetland system therefore requires an in-depth understanding of the water chemistry of that system. We investigated the spatial distribution of chemical solutes both in soil pore water and surface water, ...

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...

Radiation chemistry in solvent extraction: FY2010 Research

International Nuclear Information System (INIS)

Mincher, Bruce J.; Martin, Leigh R.; Mezyk, Stephen P.

2010-01-01

This report summarizes work accomplished under the Fuel Cycle Research and Development (FCR and D) program in the area of radiation chemistry during FY 2010. The tasks assigned during FY 2010 included: (1) Development of techniques to measure free radical reaction kinetics in the organic phase. (2) Initiation of an alpha-radiolysis program; (3) Initiation of an effort to understand dose rate effects in radiation chemistry; (4) Continued work to characterize TALSPEAK radiation chemistry Progress made on each of these tasks is reported here. Briefly, a method was developed and used to measure the kinetics of the reactions of the NO3 radical with solvent extraction ligands in organic solution, and the method to measure OH radical reactions under the same conditions has been designed. Rate constants for the CMPO and DMDOHEMA reaction with NO3 radical in organic solution are reported. Alpha-radiolysis was initiated on samples of DMDOHEMA in alkane solution using He ion beam irradiation and 211At isotope irradiation. The samples are currently being analyzed for comparison to DMDOHEMA ?-irradiations using a custom-developed mass spectrometric method. Results are also reported for the radiolytic generation of nitrous acid, in ?-irradiated nitric acid. It is shown that the yield of nitrous acid is unaffected by an order-of-magnitude change in dose rate. Finally, recent results for TALSPEAK radiolysis are reported, summarizing the effects on solvent extraction efficiency due to HDEHP irradiation, and the stable products of lactic acid and DTPA irradiation. In addition, results representing increased scope are presented for the radiation chemistry program. These include an investigation of the effect of metal complexation on radical reaction kinetics using DTPA as an example, and the production of a manuscript reporting the mechanism of Cs-7SB radiolysis. The Cs-7SB work takes advantage of recent results from a current LDRD program to understand the fundamental chemistry of

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.

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)

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

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

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.

Quantifying enzymatic lysis: estimating the combined effects of chemistry, physiology and physics

International Nuclear Information System (INIS)

Mitchell, Gabriel J; Weitz, Joshua S; Nelson, Daniel C

2010-01-01

The number of microbial pathogens resistant to antibiotics continues to increase even as the rate of discovery and approval of new antibiotic therapeutics steadily decreases. Many researchers have begun to investigate the therapeutic potential of naturally occurring lytic enzymes as an alternative to traditional antibiotics. However, direct characterization of lytic enzymes using techniques based on synthetic substrates is often difficult because lytic enzymes bind to the complex superstructure of intact cell walls. Here we present a new standard for the analysis of lytic enzymes based on turbidity assays which allow us to probe the dynamics of lysis without preparing a synthetic substrate. The challenge in the analysis of these assays is to infer the microscopic details of lysis from macroscopic turbidity data. We propose a model of enzymatic lysis that integrates the chemistry responsible for bond cleavage with the physical mechanisms leading to cell wall failure. We then present a solution to an inverse problem in which we estimate reaction rate constants and the heterogeneous susceptibility to lysis among target cells. We validate our model given simulated and experimental turbidity assays. The ability to estimate reaction rate constants for lytic enzymes will facilitate their biochemical characterization and development as antimicrobial therapeutics

Quantifying enzymatic lysis: estimating the combined effects of chemistry, physiology and physics.

Science.gov (United States)

Mitchell, Gabriel J; Nelson, Daniel C; Weitz, Joshua S

2010-10-04

The number of microbial pathogens resistant to antibiotics continues to increase even as the rate of discovery and approval of new antibiotic therapeutics steadily decreases. Many researchers have begun to investigate the therapeutic potential of naturally occurring lytic enzymes as an alternative to traditional antibiotics. However, direct characterization of lytic enzymes using techniques based on synthetic substrates is often difficult because lytic enzymes bind to the complex superstructure of intact cell walls. Here we present a new standard for the analysis of lytic enzymes based on turbidity assays which allow us to probe the dynamics of lysis without preparing a synthetic substrate. The challenge in the analysis of these assays is to infer the microscopic details of lysis from macroscopic turbidity data. We propose a model of enzymatic lysis that integrates the chemistry responsible for bond cleavage with the physical mechanisms leading to cell wall failure. We then present a solution to an inverse problem in which we estimate reaction rate constants and the heterogeneous susceptibility to lysis among target cells. We validate our model given simulated and experimental turbidity assays. The ability to estimate reaction rate constants for lytic enzymes will facilitate their biochemical characterization and development as antimicrobial therapeutics.

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)…

Anisotropic surface chemistry properties and adsorption behavior of silicate mineral crystals.

Science.gov (United States)

Xu, Longhua; Tian, Jia; Wu, Houqin; Fang, Shuai; Lu, Zhongyuan; Ma, Caifeng; Sun, Wei; Hu, Yuehua

2018-03-07

Anisotropic surface properties of minerals play an important role in a variety of fields. With a focus on the two most intensively investigated silicate minerals (i.e., phyllosilicate minerals and pegmatite aluminosilicate minerals), this review highlights the research on their anisotropic surface properties based on their crystal structures. Four surface features comprise the anisotropic surface chemistry of minerals: broken bonds, energy, wettability, and charge. Analysis of surface broken bond and energy anisotropy helps to explain the cleavage and growth properties of mineral crystals, and understanding surface wettability and charge anisotropy is critical to the analysis of minerals' solution behavior, such as their flotation performance and rheological properties. In a specific reaction, the anisotropic surface properties of minerals are reflected in the adsorption strengths of reagents on different mineral surfaces. Combined with the knowledge of mineral crushing and grinding, a thorough understanding of the anisotropic surface chemistry properties and the anisotropic adsorption behavior of minerals will lead to the development of effective relational models comprising their crystal structure, surface chemistry properties, and targeted reagent adsorption. Overall, such a comprehensive approach is expected to firmly establish the connection between selective cleavage of mineral crystals for desired surfaces and designing novel reagents selectively adsorbed on the mineral surfaces. As tools to characterize the anisotropic surface chemistry properties of minerals, DLVO theory, atomic force microscopy (AFM), and molecular dynamics (MD) simulations are also reviewed. Copyright © 2017 Elsevier B.V. All rights reserved.

New trends and developments in radiation chemistry

International Nuclear Information System (INIS)

1989-10-01

Radiation chemistry is a branch of chemistry that studies chemical transformations in materials exposed to high-energy radiations. It uses radiation as the initiator of chemical reactions. Practical applications of radiation chemistry today extend to many fields, including health care, food and agriculture, manufacturing, industrial pollution abatement, biotechnology and telecommunications. The important advantage of radiation chemistry lies in its ability to be used to produce, and study, almost any reactive atomic and molecular species playing a part in chemical reactions, synthesis, industrial processes, or in biological systems. The techniques are applicable to gaseous, liquid, solid, and heterogeneous systems. By combining different techniques of radiation chemistry with analytical chemistry, the reaction mechanism and kinetics of chemical reactions are studied. In November 1988 in Bologna, Italy, the IAEA convened an advisory group meeting to assess new trends and developments in radiation chemistry. The present publication includes most of the contributions presented at the meeting. Refs, figs and tabs

Developing 21st Century Chemistry Learning through Designing Digital Games

Science.gov (United States)

Lay, Ah-Nam; Osman, Kamisah

2018-01-01

The purpose of this study is to investigate the effect of Malaysian "Kimia" (Chemistry) Digital Games (MyKimDG) module on students' achievement and motivation in chemistry as well as 21st century skills. Chemistry education in Malaysia should put greater emphasis on combination of cognitive, sociocultural and motivational aspects to…

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.

Radioanalytical Chemistry for Automated Nuclear Waste Process Monitoring

International Nuclear Information System (INIS)

Egorov, Oleg B.; Grate, Jay W.; DeVol, Timothy A.

2004-01-01

This research program is directed toward rapid, sensitive, and selective determination of beta and alpha-emitting radionuclides such as 99Tc, 90Sr, and trans-uranium (TRU) elements in low activity waste (LAW) processing streams. The overall technical approach is based on automated radiochemical measurement principles, which entails integration of sample treatment and separation chemistries and radiometric detection within a single functional analytical instrument. Nuclear waste process streams are particularly challenging for rapid analytical methods due to the complex, high-ionic-strength, caustic brine sample matrix, the presence of interfering radionuclides, and the variable and uncertain speciation of the radionuclides of interest. As a result, matrix modification, speciation control, and separation chemistries are required for use in automated process analyzers. Significant knowledge gaps exist relative to the design of chemistries for such analyzers so that radionuclides can be quantitatively and rapidly separated and analyzed in solutions derived from low-activity waste processing operations. This research is addressing these knowledge gaps in the area of separation science, nuclear detection, and analytical chemistry and instrumentation. The outcome of these investigations will be the knowledge necessary to choose appropriate chemistries for sample matrix modification and analyte speciation control and chemistries for rapid and selective separation and preconcentration of target radionuclides from complex sample matrices. In addition, new approaches for quantification of alpha emitters in solution using solid-state diode detectors, as well as improved instrumentation and signal processing techniques for use with solid-state and scintillation detectors, will be developed. New knowledge of the performance of separation materials, matrix modification and speciation control chemistries, instrument configurations, and quantitative analytical approaches will

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.

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)

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…

Radioanalytical Chemistry for Automated Nuclear Waste Process Monitoring

International Nuclear Information System (INIS)

Egorov, Oleg B.; Grate, Jay W.; DeVol, Timothy A.

2003-01-01

This research program is directed toward rapid, sensitive, and selective determination of beta and alpha-emitting radionuclides such as 99Tc, 90Sr, and trans-uranium (TRU) elements in low activity waste (LAW) processing streams. The overall technical approach is based on automated radiochemical measurement principles. Nuclear waste process streams are particularly challenging for rapid analytical methods due to the complex, high- ionic-strength, caustic brine sample matrix, the presence of interfering radionuclides, and the variable and uncertain speciation of the radionuclides of interest. As a result, matrix modification, speciation control, and separation chemistries are required for use in automated process analyzers. Significant knowledge gaps exist relative to the design of chemistries for such analyzers so that radionuclides can be quantitatively and rapidly separated and analyzed in solutions derived from low-activity waste processing operations. This research is addressing these knowledge gaps in the area of separation science, nuclear detection, and analytical chemistry and instrumentation. The outcome of these investigations will be the knowledge necessary to choose appropriate chemistries for sample matrix modification and analyte speciation control and chemistries for rapid and selective separation and preconcentration of target radionuclides from complex sample matrices. In addition, new approaches for quantification of alpha emitters in solution using solid state diode detectors, as well as improved instrumentation and signal processing techniques for use with solid-state and scintillation detectors, will be developed. New knowledge of the performance of separation materials, matrix modification and speciation control chemistries, instrument configurations, and quantitative analytical approaches will provide the basis for designing effective instrumentation for radioanalytical process monitoring. Specific analytical targets include 99 Tc, 90Sr and

Planetary Sources for Reducing Sulfur Compounds for Cyanosulfidic Origins of Life Chemistry

Science.gov (United States)

Ranjan, S.; Todd, Z. R.; Sutherland, J.; Sasselov, D. D.

2017-12-01

A key challenge in origin-of-life studies is understanding the chemistry that lead to the origin of the key biomolecules of life, such as the components of nucleic acids, sugars, lipids, and proteins. Prebiotic reaction networks based upon reductive homologation of nitriles (e.g., Patel et al. 2015), are building a tantalizing picture of sustained abiotic synthesis of activated ribonucleotides, amino acids and lipid precursors under environmental conditions thought to have been available on early Earth. Sulfidic anions in aqueous solution (e.g., HS-, HSO3-) under near-UV irradiation play important roles in these chemical pathways. However, the sources and availability of these anions on early Earth have not yet been quantitatively constrained. Here, we evaluate the potential for the atmosphere to serve as a source of sulfidic anions, via dissolution of volcanically-outgassed SO2 and H2S into water reservoirs. We combine photochemical modeling from the literature (Hu et al. 2013) with equilibrium chemistry calculations to place constraints on the partial pressures of SO2 and H2S required to reach the elevated concentrations of sulfidic anions (≥1 μM) thought to be necessary for prebiotic chemistry. We find that micromolar levels of SO2-derived anions (HSO3-, SO3(2-)) are possible through simple exposure of aqueous reservoirs like shallow lakes to the atmosphere, assuming total sulfur emission flux comparable to today. Millimolar levels of these compounds are available during the epochs of elevated volcanism, due to elevated sulfur emission flux. Radiative transfer modeling suggests the atmospheric sulfur will not block the near-UV radiation also required for the cyanosulfidic chemistry. However, H2S-derived anions (e.g., HS-) reach only sub-micromolar levels from atmospheric sources, meaning that prebiotic chemistry invoking such molecules must invoke specialized, local sources. Prebiotic chemistry invoking SO2-derived anions may be considered more robust than

Outline of investigation on restraint of carbon dioxide generation by green chemistry. 1999.1-1999.3; 1998 nendo green chemistry ni yoru CO2 hassei yokusei ni kakawaru chosa kenkyu chosa hokokusho

Energy Technology Data Exchange (ETDEWEB)

NONE

1999-03-01

Investigations were conducted into the above in some leading OECD (Organization for Economic Cooperation and Development) member states. Green chemistry is a new concept in which clean technology, environment-friendly chemistry, and the like are combined, and is a chemical solution for reducing or stopping the use or generation of materials, products, by-products, solvents, reagents, etc., which are dangerous to health and environments, throughout the whole life cycle of chemicals covering the processes of their designing, manufacturing, dumping, and recycling. In this fiscal year, the actual state of the generation of biomass, regarded as representative of reproducible materials, and its feasibility as chemical resources were investigated. In an effort at finding out chemical reactions safer to health and causing less environmental impact, investigations were also conducted into the recent trends of catalysts, novel reactions for organic syntheses, use of supercritical fluids, photocatalysts, biomimetic processes, etc. The development of substitutes for plastic additives was also studied. Since acceptance by the citizenry is quite important for green chemistry to take effect, educating and enlightening activities in the U.S., Britain, France, and Germany were inquired into. (NEDO)

Combined Heat and Power: Effective Energy Solutions for a Sustainable Future

Energy Technology Data Exchange (ETDEWEB)

Shipley, Ms. Anna [Sentech, Inc.; Hampson, Anne [Energy and Environmental Analysis, Inc., an ICF Company; Hedman, Mr. Bruce [Energy and Environmental Analysis, Inc., an ICF Company; Garland, Patricia W [ORNL; Bautista, Paul [Sentech, Inc.

2008-12-01

Combined Heat and Power (CHP) solutions represent a proven and effective near-term energy option to help the United States enhance energy efficiency, ensure environmental quality, promote economic growth, and foster a robust energy infrastructure. Using CHP today, the United States already avoids more than 1.9 Quadrillion British thermal units (Quads) of fuel consumption and 248 million metric tons of carbon dioxide (CO{sub 2}) emissions annually compared to traditional separate production of electricity and thermal energy. This CO{sub 2} reduction is the equivalent of removing more than 45 million cars from the road. In addition, CHP is one of the few options in the portfolio of energy alternatives that combines environmental effectiveness with economic viability and improved competitiveness. This report describes in detail the four key areas where CHP has proven its effectiveness and holds promise for the future as an: (1) Environmental Solution: Significantly reducing CO{sub 2} emissions through greater energy efficiency; (2) Competitive Business Solution: Increasing efficiency, reducing business costs, and creating green-collar jobs; (3) Local Energy Solution: Deployable throughout the US; and (4) Infrastructure Modernization Solution: Relieving grid congestion and improving energy security. CHP should be one of the first technologies deployed for near-term carbon reductions. The cost-effectiveness and near-term viability of widespread CHP deployment place the technology at the forefront of practical alternative energy solutions such as wind, solar, clean coal, biofuels, and nuclear power. Clear synergies exist between CHP and most other technologies that dominate the energy and environmental policy dialogue in the country today. As the Nation transforms how it produces, transports, and uses the many forms of energy, it must seize the clear opportunity afforded by CHP in terms of climate change, economic competitiveness, energy security, and infrastructure

Hydrolysis and Radiation Chemistry of the DGAs

Energy Technology Data Exchange (ETDEWEB)

Mincher, Bruce Jay [Idaho National Lab. (INL), Idaho Falls, ID (United States); Zarzana, Christopher Andrew [Idaho National Lab. (INL), Idaho Falls, ID (United States)

2016-09-01

This document was prepared to meet FCR&D level 3 milestone M3FT-16IN030104052, “continue the study of the short chain compounds,” and, “ study the radiolysis of the non-symmetrical DGA (D3DODGA)….,” under the Radiation Chemistry FCR&D work package. Toward these goals, the short chain DGA, tetraethyldiglycolamide (TEDGA) was investigated for its hydrolytic stability in HNO3 solution, with comparisons to the less oxidizing mineral acid HCl. Initial gamma-irradiations were also performed on DGA solutions, to inform a more detailed investigation of several short chain compounds anticipated for FY17. The hydrolytic and radiolysis behavior of TEDGA is of interest for two reasons. First, previous long chain DGA radiolysis was conducted in dodecane solution since the long chain compounds are soluble in that diluent, and new radiation chemistry is expected in the aqueous environment due to reactions with •OH radical. The second reason is that this water-soluble DGA has been proposed for use as a stripping or holdback agent in both European and American fuel cycle scenarios. Therefore, this work was performed in collaboration Forschungszentrum Jülich (FZJ), and the European SACSESS program. Additionally, results are presented here regarding the radiation of chemistry the non-symmetrical DGA didodecyldioctyldiglycolamide (D3DODGA), for comparison to previous work with symmetrical DGAs such as TODGA and TEHDGA. This was also conducted in collaboration with researchers in the SACSESS program.

Supramolecular chemistry of adamantyldiazirines

International Nuclear Information System (INIS)

Bobek, M.M.

2000-10-01

This work combines several aspects of organic chemistry and comprises synthetic, spectroscopic and theoretical considerations. An improvement in the synthesis of adamantane-2,4-dione is reported. Several adamantyldiazirines and their inclusion complexes with α- and β-cyclodextrin were prepared and thoroughly studied. The first single crystal X-ray structures of dialkyldiazirines could be obtained together with the first single crystal X-ray structure analysis of an encapsulated carbene precursor. Also the first single crystal X-ray structure of a bisdiazirine is reported. The complexes were analyzed in solution by 2D NMR spectroscopy and chiroptical techniques. The correlation of two different spectroscopic methods allowed to check the validity of rules established for the prediction of the conformation of cyclodextrin complexes. It could be shown, that these rules must not be applied to n-π* transitions of diazirines. The reactions of 5-substituted adamantylidenes were studied in solution and in the gas phase. Together with quantum mechanical calculations, the origin of the diastereoselectivity of allegedly sterically unbiased carbenes was elucidated. The scope and limitations of the photochemistry of the substituted diazirines in the confined space of cyclodextrin complexes is discussed. It could be shown, that the selectivity of the reactive intermediates is largely controlled by packing motives of the complex. The photochemical reaction of 2,6-diaziadamantane yielded an oligoazine-pseudopolyrotaxane. To the author's knowledge this is the first example of a photo polymerization involving carbenes in a constrained system. (author)

Modelling trends in soil solution concentrations under five forest-soil combinations in the Netherlands

NARCIS (Netherlands)

Salm, van der C.; Vries, de W.; Kros, J.

1996-01-01

The influence of forest and soil properties on changes in soil solution concentration upon a reduction deposition was examined for five forest-soil combinations with the dynamic RESAM model. Predicted concentrations decreased in the direction Douglas fir - Scotch pine - oak, due to decreased

Wastewater treatment using hybrid treatment schemes based on cavitation and Fenton chemistry: a review.

Science.gov (United States)

Bagal, Manisha V; Gogate, Parag R

2014-01-01

Advanced oxidation processes such as cavitation and Fenton chemistry have shown considerable promise for wastewater treatment applications due to the ease of operation and simple reactor design. In this review, hybrid methods based on cavitation coupled with Fenton process for the treatment of wastewater have been discussed. The basics of individual processes (Acoustic cavitation, Hydrodynamic cavitation, Fenton chemistry) have been discussed initially highlighting the need for combined processes. The different types of reactors used for the combined processes have been discussed with some recommendations for large scale operation. The effects of important operating parameters such as solution temperature, initial pH, initial pollutant concentration and Fenton's reagent dosage have been discussed with guidelines for selection of optimum parameters. The optimization of power density is necessary for ultrasonic processes (US) and combined processes (US/Fenton) whereas the inlet pressure needs to be optimized in the case of Hydrodynamic cavitation (HC) based processes. An overview of different pollutants degraded under optimized conditions using HC/Fenton and US/Fenton process with comparison with individual processes have been presented. It has been observed that the main mechanism for the synergy of the combined process depends on the generation of additional hydroxyl radicals and its proper utilization for the degradation of the pollutant, which is strongly dependent on the loading of hydrogen peroxide. Overall, efficient wastewater treatment with high degree of energy efficiency can be achieved using combined process operating under optimized conditions, as compared to the individual process. Copyright © 2013 Elsevier B.V. All rights reserved.

Radiation chemistry in solvent extraction: FY2010 Research

Energy Technology Data Exchange (ETDEWEB)

Bruce J. Mincher; Leigh R. Martin; Stephen P. Mezyk

2010-09-01

This report summarizes work accomplished under the Fuel Cycle Research and Development (FCR&D) program in the area of radiation chemistry during FY 2010. The tasks assigned during FY 2010 included: • Development of techniques to measure free radical reaction kinetics in the organic phase. • Initiation of an alpha-radiolysis program • Initiation of an effort to understand dose rate effects in radiation chemistry • Continued work to characterize TALSPEAK radiation chemistry Progress made on each of these tasks is reported here. Briefly, a method was developed and used to measure the kinetics of the reactions of the •NO3 radical with solvent extraction ligands in organic solution, and the method to measure •OH radical reactions under the same conditions has been designed. Rate constants for the CMPO and DMDOHEMA reaction with •NO3 radical in organic solution are reported. Alpha-radiolysis was initiated on samples of DMDOHEMA in alkane solution using He ion beam irradiation and 211At isotope irradiation. The samples are currently being analyzed for comparison to DMDOHEMA ?-irradiations using a custom-developed mass spectrometric method. Results are also reported for the radiolytic generation of nitrous acid, in ?-irradiated nitric acid. It is shown that the yield of nitrous acid is unaffected by an order-of-magnitude change in dose rate. Finally, recent results for TALSPEAK radiolysis are reported, summarizing the effects on solvent extraction efficiency due to HDEHP irradiation, and the stable products of lactic acid and DTPA irradiation. In addition, results representing increased scope are presented for the radiation chemistry program. These include an investigation of the effect of metal complexation on radical reaction kinetics using DTPA as an example, and the production of a manuscript reporting the mechanism of Cs-7SB radiolysis. The Cs-7SB work takes advantage of recent results from a current LDRD program to understand the fundamental chemistry

Chemistry for the nuclear energy of the future

International Nuclear Information System (INIS)

Chmielewski, A.G.

2011-01-01

Chemistry - radiochemistry, radiation chemistry and nuclear chemical engineering play a very important role in the nuclear power development. Even at present, the offered technology is well developed, but still several improvements are needed and proposed. These developments concern all stages of the technology; front end, reactor operation (coolant chemistry and installation components decontamination, noble gas release control), back end of fuel cycle, etc. Chemistry for a partitioning and a transmutation is a new challenge for the chemists and chemical engineers. The IV th generation of nuclear reactors cannot be developed without chemical solutions for fuel fabrication, radiation-coolants interaction phenomena understanding and spent fuel/waste treatment technologies elaboration. Radiochemical analytical methods are fundamental for radioecological monitoring of radioisotopes of natural and anthropological origin. This paper addresses just a few subjects and is not a detailed overview of the field, however it illustrates a role of chemistry for a safe and economical nuclear power development. (author)

Misconception of pre-service chemistry teachers about the concept of resonances in organic chemistry course

Science.gov (United States)

Widarti, Hayuni Retno; Retnosari, Rini; Marfu'ah, Siti

2017-08-01

A descriptive quantitative research has been done to identify the level of understanding and misconceptions of the pre-service chemistry teachers related to the concept of resonance in the organic chemistry course. The subjects of the research were 51 students of State University of Malang, majoring Chemistry Education, currently in their fourth semester, 2015-2016 academic year who have taken the course of Organic Chemistry I. The instruments used in this research is a combination of 8 numbers of multiple choice tests with open answer questions and certainty of response index (CRI). The research findings revealed that there are still misconceptions found in the organic chemistry course, especially about the concept of resonance. There were several misconceptions of the pre-service chemistry teachers, such as resonance structures are in equilibrium with each other; resonance structures are two or more Lewis structures with different in arrangement of both atom and electron; resonance structures are only structures containing charged atoms; formal charge and resonance structures are not related; and the stability of resonance structures are only determined by location of charges in atoms found in such structures. There is also a lack of understanding of curved arrows notation to show electron pair movement.

Present status of water chemistry in nuclear power plants

International Nuclear Information System (INIS)

Berge, Ph.; Fiquet, J.M.

1991-01-01

As operational experience increases, solutions to mitigate corrosion problems of existing plants are found. They also, hopefully, can solve the corrosion problems for future reactors when materials and design can be modified. Improvement of chemistry solved numerous early problems in PWRs (denting, pitting) and limitated other phenomena such as erosion-corrosion of steels in the secondary circuit. Chemistry has not been successful for other problems such as primary-side cracking of PWRs and has been moderately efficient for stress corrosion cracking or IGA of tubes at the support plate. Based on the experience, several recommendations for an optimum chemistry can be formulated. (author)

Abstracts Book of 3. All-Polish Conference on Radiochemistry and Nuclear Chemistry

International Nuclear Information System (INIS)

2001-01-01

The development of radiochemistry and nuclear chemistry in Poland have been presented during the 3. All-Polish Conference on Radiochemistry and Nuclear Chemistry held in Kazimierz Dolny in May 2001. The broad range of problems connected with radiochemistry and nuclear chemistry application in environmental protection and quality control, nuclear medicine and radiation protection, radioactive waste processing and many other scientific and everyday problems solution have been extensively presented and discussed

Uniformly constructing combinatorial solutions, combining a rational function with hyperbolic or trigonometric functions, for the (2+1) dimensional Broer-Kaup-Kupershmidt equation

International Nuclear Information System (INIS)

Liu Qing; Wang Zihua

2010-01-01

According to two dependent rational solutions to a generalized Riccati equation together with the equation itself, a rational-exponent solution to a nonlinear partial differential equation can be constructed. By selecting different parameter values in the rational-exponent solution, many families of combinatorial solutions combined with a rational function such as hyperbolic functions or trigonometric functions, are rapidly derived. This method is applied to the Whitham-Broer-Kaup equation and a series of combinatorial solutions are obtained, showing that this method is a more concise and efficient approach and can uniformly construct many types of combined solutions to nonlinear partial differential equations.

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.)

Mid-year report: IPC liaison and chemistry of thermal reconstitution

International Nuclear Information System (INIS)

Delegard, C.H.

1995-05-01

A program of investigation into the chemistry of alkaline Hanford Site tank waste is being conducted. The investigations have two main subtasks: liaison with the Institute of Physical Chemistry of the Russian Academy of Sciences and further laboratory testing of the chemistry of thermal reconstitution of Hanford Site tank waste. Progress to date includes: (1) a technical dialogue has been established with the Institute scientists; (2) editing of a technical literature review on the chemistry of the transuranic elements and technetium in alkaline media written by researchers at the Institute is complete; (3) four tasks from the Institute have been selected for support by the US Department of Energy; (4) technical information has been supplied to the Institute describing the composition of Hanford Site tank waste; (5) tests, using genuine waste from tank 104-S (a REDOX Process sludge), comparing the performance of thermal reconstitution with enhanced sludge washing show markedly improved dissolution of aluminum achieved by the thermal treatment; (6) a reduction/coprecipitation method was tested and shown to remove plutonium, solubilized by thermal treatment, rapidly and efficiently from solution; (7) technical chemistry support was provided to calciner kinetics tests at the University of Idaho; (8) tests to determine the speciation of plutonium and neptunium solubilized by thermal treatment show dissolved Pu(V) and Np(V) hydroxide complexes are produced, a Np(V) peroxide complex also was identified; (9) recently published data on Pu(IV) carbonate complexation in moderately alkaline (pH 12 to 13) solution led to reexamination of previous investigations of plutonium complexation in highly alkaline (3 to 5 molar NaOH) solutions

What History Tells Us about the Distinct Nature of Chemistry.

Science.gov (United States)

Chang, Hasok

2017-11-01

Attention to the history of chemistry can help us recognise the characteristics of chemistry that have helped to maintain it as a separate scientific discipline with a unique identity. Three such features are highlighted in this paper. First, chemistry has maintained a distinct type of theoretical thinking, independent from that of physics even in the era of quantum chemistry. Second, chemical research has always been shaped by its ineliminable practical relevance and usefulness. Third, the lived experience of chemistry, spanning the laboratory, the classroom and everyday life, is distinctive in its multidimensional sensuousness. Furthermore, I argue that the combination of these three features makes chemistry an exemplary science.

Comparison of gravimetric and mantle flow solutions for sub-lithopsheric stress modeling and their combination

Science.gov (United States)

Eshagh, Mehdi; Steinberger, Bernhard; Tenzer, Robert; Tassara, Andrés

2018-05-01

Based on Hager and O'Connell's solution to mantle flow equations, the stresses induced by mantle convection are determined using the density and viscosity structure in addition to topographic data and a plate velocity model. The solution to mantle flow equations requires the knowledge of mantle properties that are typically retrieved from seismic information. Large parts of the world are, however, not yet covered sufficiently by seismic surveys. An alternative method of modeling the stress field was introduced by Runcorn. He formulated a direct relation between the stress field and gravity data, while adopting several assumptions, particularly disregarding the toroidal mantle flow component and mantle viscosity variations. A possible way to overcome theoretical deficiencies of Runcorn's theory as well as some practical limitations of applying Hager and O'Connell's theory (in the absence of seismic data) is to combine these two methods. In this study, we apply a least-squares analysis to combine these two methods based on the gravity data inversion constraint on mantle flow equations. In particular, we use vertical gravity gradients from the Gravity field and steady state Ocean Circulation Explorer that are corrected for the gravitational contribution of crustal density heterogeneities prior to applying a localized gravity-gradient inversion. This gravitational contribution is estimated based on combining the Vening Meinesz-Moritz and flexural isostatic theories. Moreover, we treat the non-isostatic effect implicitly by applying a band-limited kernel of the integral equation during the inversion. In numerical studies of modeling, the stress field within the South American continental lithosphere we compare the results obtained after applying Runcorn and Hager and O'Connell's methods as well as their combination. The results show that, according to Hager and O'Connell's (mantle flow) solution, the maximum stress intensity is inferred under the northern Andes

Max Planck Institute for Radiation Chemistry, Muelheim a.d. Ruhr

International Nuclear Information System (INIS)

Anon.

1991-01-01

The Institute carriers out research in the field of radiation chemistry, which is understood as a field of science combining photochemistry and radiation chemistry. The research programme focuses on: the radiation chemistry of the deoxyribonucleic acids (DNA), DNA constituents, and DNA model compounds; photobiochemistry and fundamentals of photobiology; organic and organometallic photochemistry, particularly reaction mechanisms and synthesis; photophysics. (orig.) [de

Multicomponent Reactions in Ligation and Bioconjugation Chemistry.

Science.gov (United States)

Reguera, Leslie; Méndez, Yanira; Humpierre, Ana R; Valdés, Oscar; Rivera, Daniel G

2018-05-25

Multicomponent reactions (MCRs) encompass an exciting class of chemical transformations that have proven success in almost all fields of synthetic organic chemistry. These convergent procedures incorporate three or more reactants into a final product in one pot, thus combining high levels of complexity and diversity generation with low synthetic cost. Striking applications of these processes are found in heterocycle, peptidomimetic, and natural product syntheses. However, their potential in the preparation of large macro- and biomolecular constructs has been realized just recently. This Account describes the most relevant results of our group in the utilization of MCRs for ligation/conjugation of biomolecules along with significant contributions from other laboratories that validate the utility of this special class of bioconjugation process. Thus, MCRs have proven to be efficient in the ligation of lipids to peptides and oligosaccharides as well as the ligation of steroids, carbohydrates, and fluorescent and affinity tags to peptides and proteins. In the field of glycolipids, we highlight the power of isocyanide-based MCRs with the one-pot double lipidation of glycan fragments functionalized as either the carboxylic acid or amine. In peptide chemistry, the versatility of the multicomponent ligation strategy is demonstrated in both solution-phase lipidation protocols and solid-phase procedures enabling the simultaneous lipidation and biotinylation of peptides. In addition, we show that MCRs are powerful methods for synchronized lipidation/labeling and macrocyclization of peptides, thus accomplishing in one step what usually requires long sequences. In the realm of protein bioconjugation, MCRs have also proven to be effective in labeling, site-selective modification, immobilization, and glycoconjugation processes. For example, we illustrate a successful application of multicomponent polysaccharide-protein conjugation with the preparation of multivalent

Sol-Gel Chemistry for Carbon Dots.

Science.gov (United States)

Malfatti, Luca; Innocenzi, Plinio

2018-03-14

Carbon dots are an emerging class of carbon-based nanostructures produced by low-cost raw materials which exhibit a widely-tunable photoluminescence and a high quantum yield. The potential of these nanomaterials as a substitute of semiconductor quantum dots in optoelectronics and biomedicine is very high, however they need a customized chemistry to be integrated in host-guest systems or functionalized in core-shell structures. This review is focused on recent advances of the sol-gel chemistry applied to the C-dots technology. The surface modification, the fine tailoring of the chemical composition and the embedding into a complex nanostructured material are the main targets of combining sol-gel processing with C-dots chemistry. In addition, the synergistic effect of the sol-gel precursor combined with the C-dots contribute to modify the intrinsic chemo-physical properties of the dots, empowering the emission efficiency or enabling the tuning of the photoluminescence over a wide range of the visible spectrum. © 2018 The Chemical Society of Japan & Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Major Successes of Theory-and-Experiment-Combined Studies in Surface Chemistry and Heterogeneous Catalysis.

Energy Technology Data Exchange (ETDEWEB)

Somorjai, Gabor A.; Li, Yimin

2009-11-21

Experimental discoveries followed by theoretical interpretations that pave the way of further advances by experimentalists is a developing pattern in modern surface chemistry and catalysis. The revolution of modern surface science started with the development of surface-sensitive techniques such as LEED, XPS, AES, ISS and SIMS, in which the close collaboration between experimentalists and theorists led to the quantitative determination of surface structure and composition. The experimental discovery of the chemical activity of surface defects and the trends in the reactivity of transitional metals followed by the explanations from the theoretical studies led to the molecular level understanding of active sites in catalysis. The molecular level knowledge, in turn, provided a guide for experiments to search for new generation of catalysts. These and many other examples of successes in experiment-and-theory-combined studies demonstrate the importance of the collaboration between experimentalists and theorists in the development of modern surface science.

Integrating medicinal chemistry, organic/combinatorial chemistry, and computational chemistry for the discovery of selective estrogen receptor modulators with Forecaster, a novel platform for drug discovery.

Science.gov (United States)

Therrien, Eric; Englebienne, Pablo; Arrowsmith, Andrew G; Mendoza-Sanchez, Rodrigo; Corbeil, Christopher R; Weill, Nathanael; Campagna-Slater, Valérie; Moitessier, Nicolas

2012-01-23

As part of a large medicinal chemistry program, we wish to develop novel selective estrogen receptor modulators (SERMs) as potential breast cancer treatments using a combination of experimental and computational approaches. However, one of the remaining difficulties nowadays is to fully integrate computational (i.e., virtual, theoretical) and medicinal (i.e., experimental, intuitive) chemistry to take advantage of the full potential of both. For this purpose, we have developed a Web-based platform, Forecaster, and a number of programs (e.g., Prepare, React, Select) with the aim of combining computational chemistry and medicinal chemistry expertise to facilitate drug discovery and development and more specifically to integrate synthesis into computer-aided drug design. In our quest for potent SERMs, this platform was used to build virtual combinatorial libraries, filter and extract a highly diverse library from the NCI database, and dock them to the estrogen receptor (ER), with all of these steps being fully automated by computational chemists for use by medicinal chemists. As a result, virtual screening of a diverse library seeded with active compounds followed by a search for analogs yielded an enrichment factor of 129, with 98% of the seeded active compounds recovered, while the screening of a designed virtual combinatorial library including known actives yielded an area under the receiver operating characteristic (AU-ROC) of 0.78. The lead optimization proved less successful, further demonstrating the challenge to simulate structure activity relationship studies.

Progress report 1985-1986 Reactor Chemistry Department

International Nuclear Information System (INIS)

1987-12-01

The report of the activities performed by the Reactor Chemistry Department of the National Atomic Energy Commission, during the period 1985-1986, covers works of investigation, development and service related to the Argentine Nuclear Power Plants. The main subjects are the experimental and theoretical studies about physical chemistry and chemistry control at the moderators and heat transport system of the nuclear power plants. The more relevant topics are related to: 1: Behaviour of gases, electrolites and other additives for nuclear power plants, at high temperature and pressure; 2: Ionic exchangers of nuclear degree; 3: Electrochemistry studies connected with the constitutive materials' corrosion and with the nuclear power plants decontamination processes; 4: Behaviour of suspensions and colloids in nuclear power plants; 5: Use of new additives for chemistry control of the oxides which are in the circuits of nuclear power plants; 6: Research methods that allow to check reactor's control quality; 7: Study of the radiolytic behaviour of nuclear reactor's solutions. (M.E.L.) [es

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.

Development of High Temperature Chemistry Measurement System for Establishment of On-Line Water Chemistry Surveillance Network in Nuclear Power Plant

International Nuclear Information System (INIS)

Yeon, Jei Won; Kim, Won Ho; Song, Kyu Seok; Joo, Ki Soo; Choi, Ke Chon; Ha, Yeong Keong; Ahn, Hong Joo; Im, Hee Jung; Maeng, Wan Young

2010-07-01

An integrated high-temperature water chemistry sensor (pH, E redox ) was developed for the establishment of the on-line water chemistry surveillance system in nuclear power plants. The basic performance of the integrated sensor was confirmed in high-temperature (280 .deg. C, 150kg/m 2 ) lithium borate solutions by using the relationship between the concentration of lithium ion and pH-E redox values. Especially, the effects of various environmental factors such as temperature, pressure, and flow rate on YSZ-based pH electrode were evaluated for ensuring the accuracy of high-temperature pH measurement. And the relationships between each water chemistry factor (pH, redox potential, electrical conductivity) were induced for enhancing the credibility of water chemistry measurement. In addition, on the basis of the evaluation of a nuclear plant design company, we suggested potential installation positions of the measurement system in a nuclear power plant

Combining Fungicides and Prospective NPR1-Based "Just-in-Time" Immunomodulating Chemistries for Crop Protection.

Science.gov (United States)

Kuai, Xiahezi; Barraco, Charles; Després, Charles

2017-01-01

Each year, crop yield is lost to weeds competing for resources, insect herbivory and diseases caused by pathogens. To thwart these insults and preserve yield security and a high quality of traits, conventional agriculture makes use of improved cultivars combined with fertilizer and agrochemical applications. However, given that regulatory bodies and consumers are demanding environmentally safer agrochemicals, while at the same time resistance to agrochemicals is mounting, it is crucial to adopt a "holistic" approach to agriculture by not excluding any number of management tools at our disposal. One such tool includes chemicals that stimulate plant immunity. The development of this particular type of alternative crop protection strategy has been of great interest to us. We have approached this paradigm by studying plant immunity, specifically systemic acquired resistance (SAR). The deployment of SAR immunity requires the production by the crop plant of an endogenous small molecule metabolite called salicylic acid (SA). Furthermore, immunity can only be deployed if SA can bind to its receptor and activate the genes responsible for the SAR program. The key receptor for SAR is a transcription coactivator called NPR1. Since discovering this NPR1-SA receptor-ligand pair, we have embarked on a journey to develop novel chemistries capable of deploying SAR in the field. The journey begins with the development of a scalable assay to identify these novel chemistries. One such assay, presented here, is based on differential scanning fluorimetry technology and demonstrates that NPR1 is destabilized by binding to SA.

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.

Development of a resilient mechanical sealing solution to resist electro corrosion in ultrapure feedwater applications

Energy Technology Data Exchange (ETDEWEB)

Loenhout, Gerard van [Flowservice Flow Solutions Division, Etten-Leur (Netherlands); Enders, Klaus; Schmerberg, Rainer [Vattenfall Europe Generation AG, Peitz (Germany)

2012-11-01

Ever since the introduction of mechanical seals on high speed boiler feed pumps in the sixties, mechanical seals have proven to be a reliable, cost effective sealing method. However, since the introduction of combined water treatment chemistry used in today's modern fossil-fuelled power stations, keeping mechanical seal reliability high, became a challenge. A pragmatic approach is presented. A resilient sealing solution was developed to resist electro corrosion for such critical feed water pumps. (orig.)

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.

Zinc-Nickel Codeposition in Sulfate Solution Combined Effect of Cadmium and Boric Acid

Directory of Open Access Journals (Sweden)

Y. Addi

2011-01-01

Full Text Available The combined effect of cadmium and boric acid on the electrodeposition of zinc-nickel from a sulfate has been investigated. The presence of cadmium ion decreases zinc in the deposit. In solution, cadmium inhibits the zinc ion deposition and suppresses it when deposition potential value is more negative than −1.2 V. Low concentration of CdSO4 reduces the anomalous nature of Zn-Ni deposit. Boric acid decreases current density and shifts potential discharge of nickel and hydrogen to more negative potential. The combination of boric acid and cadmium increases the percentage of nickel in the deposit. Boric acid and cadmium.

Applications, benefits and challenges of flow chemistry

DEFF Research Database (Denmark)

Mitic, Aleksandar; Heintz, Søren; Ringborg, Rolf Hoffmeyer

2013-01-01

, environmental and manufacturing perspective. A potential solution to resolve these issues is to use flow chemistry in such processes, preferably with applications of micro-and mini-sized equipment. In addition, Process Analytical Technology (PAT) may be implemented in a very efficient way in such equipment due...

Advances in BWR water chemistry

International Nuclear Information System (INIS)

Garcia, Susan E.; Giannelli, Joseph F.; Jarvis, Mary L.

2012-09-01

This paper reviews recent advances in Boiling Water Reactor (BWR) water chemistry control with examples of plant experiences at U.S. designed BWRs. Water chemistry advances provide some of the most effective methods for mitigating materials degradation, reducing fuel performance concerns and lowering radiation fields. Mitigation of stress corrosion cracking (SCC) of materials remains a high priority and improved techniques that have been demonstrated in BWRs will be reviewed, specifically hydrogen injection combined with noble metal chemical addition (NMCA) and the newer on-line noble metal application process (OLNC). Hydrogen injection performance, an important part of SCC mitigation, will also be reviewed for the BWR fleet, highlighting system improvements that have enabled earlier injection of hydrogen including the potential for hydrogen injection during plant startup. Water chemistry has been significantly improved by the application of pre-filtration and optimized use of ion exchange resins in the CP (condensate polishing) and reactor water cleanup (RWCU) systems. EPRI has monitored and supported water treatment improvements to meet water chemistry goals as outlined in the EPRI BWR Water Chemistry Guidelines, particularly those for SCC mitigation of reactor internals and piping, minimization of fuel risk due to corrosion and crud deposits and chemistry control for radiation field reduction. In recent years, a significant reduction has occurred in feedwater corrosion product input, particularly iron. A large percentage of plants are now reporting <0.1 ppb feedwater iron. The impacts to plant operation and chemistry of lower feedwater iron will be explored. Depleted zinc addition is widely practiced across the fleet and the enhanced focus on radiation reduction continues to emphasize the importance of controlling radiation source term. In addition, shutdown chemistry control is necessary to avoid excessive release of activated corrosion products from fuel

Analytical chemistry: Principles and techniques

International Nuclear Information System (INIS)

Hargis, L.G.

1988-01-01

Although this text seems to have been intended for use in a one-semester course in undergraduate analytical chemistry, it includes the range of topics usually encountered in a two-semester introductory course in chemical analysis. The material is arranged logically for use in a two-semester course: the first 12 chapters contain the subjects most often covered in the first term, and the next 10 chapters pertain to the second (instrumental) term. Overall breadth and level of treatment are standards for an undergraduate text of this sort, and the only major omission is that of kinetic methods (which is a common omission in analytical texts). In the first 12 chapters coverage of the basic material is quite good. The emphasis on the underlying principles of the techniques rather than on specifics and design of instrumentation is welcomed. This text may be more useful for the instrumental portion of an analytical chemistry course than for the solution chemistry segment. The instrumental analysis portion is appropriate for an introductory textbook

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

Collaborative Research. Atmospheric Pressure Microplasma Chemistry-Photon Synergies

Energy Technology Data Exchange (ETDEWEB)

Park, Sung-Jin [Univ. of Illinois, Urbana, IL (United States); Eden, James Gary [Univ. of Illinois, Urbana, IL (United States)

2015-12-01

Combining the effects of low temperature, atmospheric pressure microplasmas and microplasma photon sources offers the promise of greatly expanding the range of applications for each of them. The plasma sources create active chemical species and these can be activated further by the addition of photons and the associated photochemistry. There are many ways to combine the effects of plasma chemistry and photochemistry, especially if there are multiple phases present. This project combined the construction of appropriate test experimental systems, various spectroscopic diagnostics and mathematical modeling. Through a continuous discussion and co-design process with the UC-Berkeley Team, we have successfully completed the fabrication and testing of all components for a microplasma array-assisted system designed for photon-activated plasma chemistry research. Microcavity plasma lamps capable of generating more than 20 mW/cm² at 172 nm (Xe dimer) were fabricated with a custom form factor to mate to the plasma chemistry setup, and a lamp was current being installed by the Berkeley team so as to investigate plasma chemistry-photon synergies at a higher photon energy (~7.2 eV) as compared to the UVA treatment that is afforded by UV LEDs operating at 365 nm. In particular, motivated by the promising results from the Berkeley team with UVA treatment, we also produced the first generation of lamps that can generate photons in the 300-370 nm wavelength range. Another set of experiments, conducted under the auspices of this grant, involved the use of plasma microjet arrays. The combination of the photons and excited radicals produced by the plasma column resulted in broad area deactivation of bacteria.

Synthesis of amphiphilic poly(ε-caprolactone)-b-poly( N-vinylcaprolactam) block copolymers via the combination of RAFT polymerization and click chemistry

International Nuclear Information System (INIS)

Assis, Paulo Henrique; Aguiar, Graziele Aparecida de Jesus; Moraes, Rodolfo Minto de; Medeiros, Simone de Fatima; Santos, Amilton Martins

2016-01-01

Full text: In recent years, well-defined block copolymers composed of a hydrophilic and hydrophobic segments have gained much interest as drug carriers, because of their enhanced solubility and sustained release of the drug in controlled delivery systems [1]. The development of strategies to obtain block copolymers has attracted considerable attention, due to the possibility to combine characteristic properties of the homopolymers. A wide variety of well-defined block copolymers have been successfully synthesized by combining the efficiency and selectivity of click chemistry with the powerful RAFT polymerization mechanism. In the present work, well-defined amphiphilic, biocompatible, partially biodegradable, and thermosensitive poly(ε-caprolactone)-b-poly(N-vinylcaprolactam) (PCL-b-PNVCL) block copolymers were synthesized by combining ring opening polymerization (ROP), reversible addition-fragmentation chain transfer (RAFT) polymerization and subsequent click chemistry reaction. Alkyne-terminated poly(ε-caprolactone) (alkyne-PCL) was obtained by the ring opening polymerization of ε-caprolactone (ε-CL) using propargyl alcohol as initiator and stannous-2-ethylhexanoate [Sn(Oct) 2 ] as catalyst. The azide end-capped-poly(N-vinylcaprolactam) (PNVCL-N 3 ) was synthesized by reversible addition-fragmentation chain transfer/macromolecular design via interchange of xanthates (RAFT/MADIX) polymerization of the N-vinylcaprolactam (NVCL) mediated by a novel chain transfer agent comprising an azide function , 2-azidoethyl[(ethoxycarbonothioyl)thio](phenyl)acetate. These functionalized homopolymers, alkyne-PCL and PNVCL-N 3 , were coupled by the 1,3 dipolar cycloaddition reaction in order to obtain the corresponding block copolymers. These (co)polymers were characterized by FTIR, 1 H NMR and GPC measurements. Reference: 1. RAMESH, K., SINGH, S., MITRA, K., CHATTOPADHYAY, D., MISRA, N., & RAY, B. (2015). Colloid and Polymer Science, 1-9. (author)

Physics and chemistry of irradiated protostars

DEFF Research Database (Denmark)

Lindberg, Johan

not resemble so-called hot corinos or warm carbon-chain chemistry sources (the previously known types of low-mass Class 0 objects as defined by their chemistry). The absence of complex organic molecules in combination with high abundances of radicals such as cyanide (CN) and hydroxyl (OH) suggest...... that the chemistry is dominated by radiation from R CrA. In the high-resolution interferometry data we also detect signs of a 100 AU Keplerian disc around the Class 0/I object IRS7B. The disc may be responsible for the lack of detections of complex organic molecules on the smaller scales as it may have flattened......) and chemistry (such as molecular abundances) in low-mass protostellar envelopes is studied. The work studies the nearby low-mass star-forming region Corona Australis, in which a large proportion of the youngest low-mass protostars (so-called Class 0 and Class I objects) are located in a dense cloud situated...

Modelling the chemistry of iodine

International Nuclear Information System (INIS)

Paquette, J.

1989-01-01

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

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.

Importance of nuclear power for chemistry

International Nuclear Information System (INIS)

Kolotyrkin, J.

1982-01-01

Examples are given of the use of ionizing radiations in nuclear chemistry, in radiation cross-linking of polymers. The possibilities are also indicated of applications in the disinfection of wastes, in fertilizer production and packaging, in the production of cellulose and hydrogen. The implementation of the said technologies depends on the solution of a number organizational problems. (J.B.)

Combination of precise GNSS orbit and clock solutions in a multi-constellation, multi-frequency environment

Science.gov (United States)

Ortiz Geist, Estefania

2015-04-01

Precise GNSS orbit and clock solutions are essential for the generation of the Terrestrial Reference Frame (TRF) and required for a broad variety of applications. Over the last decades the combination products of the International GNSS Service (IGS) have become the standard for all kinds of GNSS applications requiring highest accuracy. The emerging new GNSS constellations Galileo, BeiDou and the QZSS as well as the modernization of the already established GPS and GLONASS constellations will stimulate a new development in the GNSS data processing in order to gain be best benefit from the new signals and systems for geodetic and geodynamic applications. This introduces the question regarding the influence of this development on the orbit and clock products. What are the consequences for the consistency of the contributions from the Analysis Centres (ACs) of the IGS and how does the combination procedure need to react on his development? Another set of questions is related to the expected scenario in which not all IGS ACs will likely include all GNSS. The algorithm for the orbit and clock combination needs to be adapted for a multi-system combination to keep on one hand the internal consistency between the GNSS during the combination procedure but also consider the differences in the expected orbit qualities between the satellite systems (e.g., due to the number of satellites or network coverage). To investigate these questions ESOC and AIUB have agreed on a joint research fellowship for three years. The objective of this research is to analyse the capabilities and challenges when combining hybrid multi-GNSS solutions and to develop a concept, which compares and combines orbit and clock contributions to come up with a consistent, reliable, truly combined multi-GNSS combination product. Well-defined test scenarios shall be constructed and analysed based on the GNSS data processing software packages in the two institutions, namely "NAPEOS" and "Bernese GNSS Software

Inactivation of B. Pumilus spores by combination hydrostatic pressure-radiation treatment of parenteral solutions

International Nuclear Information System (INIS)

Wills, P.A.

1975-01-01

Bacterial spores are inactivated by moderate hydrostatic pressures. The radiation dose required to sterilize radiation sensitive pharmaceuticals can be considerably reduced using a combination hydrostatic pressure-radiation treatment. This paper describes a combination pressure-radiation sterilization process using Bacillus pumilus spores suspended in water, 0.9% saline, and 5% dextrose solutions. The optimum temperatures for spore inactivation at 35 MPa and the degree of inactivation at 35, 70 and 105 MPa applied for times up to 100 min have been determined. Inactivation was greatest in saline and least in dextrose. Spores in dextrose were only slightly less radiation resistant than in saline or water. It was calculated that the radiation dose required for sterilization could be halved with appropriate compression treatment. Examples of combinations of pressure-radiation suitable for sterilization are given. One combination is compression at 105 MPa for 18 min for a dose of 1.25 Mrad. (author)

Third Chemistry Conference on Recent Trends in Chemistry

International Nuclear Information System (INIS)

Saeed, M.M.; Wheed, S.

2011-01-01

The third chemistry conference 2011 on recent trends in chemistry was held from October 17-19, 2001 at Islamabad, Pakistan. More than 65 papers and oral presentation. The scope of the conference was wide open and provides and opportunity for participation of broad spectrum of chemists. This forum provided a platform for the dissemination of the latest research followed by discussion pertaining to new trends in chemistry. This con fence covered different aspects of subjects including analytical chemistry, environmental chemistry, polymer chemistry, industrial chemistry, biochemistry and nano chemistry etc. (A.B.)

Electrolyte chemistry control in electrodialysis processing

Science.gov (United States)

Hayes, Thomas D.; Severin, Blaine F.

2017-12-26

Methods for controlling electrolyte chemistry in electrodialysis units having an anode and a cathode each in an electrolyte of a selected concentration and a membrane stack disposed therebetween. The membrane stack includes pairs of cationic selective and anionic membranes to segregate increasingly dilute salts streams from concentrated salts stream. Electrolyte chemistry control is via use of at least one of following techniques: a single calcium exclusionary cationic selective membrane at a cathode cell boundary, an exclusionary membrane configured as a hydraulically isolated scavenger cell, a multivalent scavenger co-electrolyte and combinations thereof.

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

Constitutional dynamic chemistry: bridge from supramolecular chemistry to adaptive chemistry.

Science.gov (United States)

Lehn, Jean-Marie

2012-01-01

Supramolecular chemistry aims at implementing highly complex chemical systems from molecular components held together by non-covalent intermolecular forces and effecting molecular recognition, catalysis and transport processes. A further step consists in the investigation of chemical systems undergoing self-organization, i.e. systems capable of spontaneously generating well-defined functional supramolecular architectures by self-assembly from their components, thus behaving as programmed chemical systems. Supramolecular chemistry is intrinsically a dynamic chemistry in view of the lability of the interactions connecting the molecular components of a supramolecular entity and the resulting ability of supramolecular species to exchange their constituents. The same holds for molecular chemistry when the molecular entity contains covalent bonds that may form and break reversibility, so as to allow a continuous change in constitution by reorganization and exchange of building blocks. These features define a Constitutional Dynamic Chemistry (CDC) on both the molecular and supramolecular levels.CDC introduces a paradigm shift with respect to constitutionally static chemistry. The latter relies on design for the generation of a target entity, whereas CDC takes advantage of dynamic diversity to allow variation and selection. The implementation of selection in chemistry introduces a fundamental change in outlook. Whereas self-organization by design strives to achieve full control over the output molecular or supramolecular entity by explicit programming, self-organization with selection operates on dynamic constitutional diversity in response to either internal or external factors to achieve adaptation.The merging of the features: -information and programmability, -dynamics and reversibility, -constitution and structural diversity, points to the emergence of adaptive and evolutive chemistry, towards a chemistry of complex matter.

Recent development in computational actinide chemistry

International Nuclear Information System (INIS)

Li Jun

2008-01-01

Ever since the Manhattan project in World War II, actinide chemistry has been essential for nuclear science and technology. Yet scientists still seek the ability to interpret and predict chemical and physical properties of actinide compounds and materials using first-principle theory and computational modeling. Actinide compounds are challenging to computational chemistry because of their complicated electron correlation effects and relativistic effects, including spin-orbit coupling effects. There have been significant developments in theoretical studies on actinide compounds in the past several years. The theoretical capabilities coupled with new experimental characterization techniques now offer a powerful combination for unraveling the complexities of actinide chemistry. In this talk, we will provide an overview of our own research in this field, with particular emphasis on applications of relativistic density functional and ab initio quantum chemical methods to the geometries, electronic structures, spectroscopy and excited-state properties of small actinide molecules such as CUO and UO 2 and some large actinide compounds relevant to separation and environment science. The performance of various density functional approaches and wavefunction theory-based electron correlation methods will be compared. The results of computational modeling on the vibrational, electronic, and NMR spectra of actinide compounds will be briefly discussed as well [1-4]. We will show that progress in relativistic quantum chemistry, computer hardware and computational chemistry software has enabled computational actinide chemistry to emerge as a powerful and predictive tool for research in actinide chemistry. (authors)

Polymeric Medical Sutures: An Exploration of Polymers and Green Chemistry

Science.gov (United States)

Knutson, Cassandra M.; Schneiderman, Deborah K.; Yu, Ming; Javner, Cassidy H.; Distefano, Mark D.; Wissinger, Jane E.

2017-01-01

With new K-12 national science standards emerging, there is an increased need for experiments that integrate engineering into the context of society. Here we describe a chemistry experiment that combines science and engineering principles while introducing basic polymer and green chemistry concepts. Using medical sutures as a platform for…

Mass spectrometry in clinical chemistry

International Nuclear Information System (INIS)

Pettersen, J.E.

1977-01-01

A brief description is given of the functional elements of a mass spectrometer and of some currently employed mass spectrometric techniques, such as combined gas chromatography-mass spectrometry, mass chromatography, and selected ion monitoring. Various areas of application of mass spectrometry in clinical chemistry are discussed, such as inborn errors of metabolism and other metabolic disorders, intoxications, quantitative determinations of drugs, hormones, gases, and trace elements, and the use of isotope dilution mass spectrometry as a definitive method for the establishment of true values for concentrations of various compounds in reference sera. It is concluded that mass spectrometry is of great value in clinical chemistry. (Auth.)

Online Automatic Titration of Chromic Acid in Chromium Plating Solutions and Phosphoric and Sulfuric Acids in Electropolishing Solutions

National Research Council Canada - National Science Library

Sopok, Samuel

1991-01-01

.... The analytical chemistry literature lacks an adequate online automatic titration method for the monitoring of chromic acid in chromium plating solutions and the monitoring of phosphoric and sulfuric...

Plutonium(IV) hydrous polymer chemistry

International Nuclear Information System (INIS)

Toth, L.M.; Dodson, K.E.

1985-01-01

The hydrous polymer chemistry of Pu(IV) in aqueous nitric acid solutions has been a subject of considerable interest for several years. This interest stems mainly from the fact that most nuclear fuel reprocessing schemes based on the Purex process can be hampered by the occurrence of polymer. As a result, an understanding and control of the parameters that affect polymer formation during reprocessing are studied. 2 refs

Presidential Green Chemistry Challenge: 2004 Academic Award

Science.gov (United States)

Presidential Green Chemistry Challenge 2004 award winners, Professors Charles A. Eckert and Charles L. Liotta, use supercritical CO2 as a solvent to combine reactions and separations, improve efficiency, and reduce waste.

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

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.

Emanation thermal analysis. Application in solid state chemistry, analytical chemistry and engineering

International Nuclear Information System (INIS)

Balek, V.; Tel'deshi, Yu.

1986-01-01

Voluminous material on application of emenation thermal analysis for investigation of solids is systematized. General concepts and historical review of development of the method are given. Methods of introduction of inert gases into solids are considered. Theoretical aspects of inert gas evolution from solids labelled by radioactive gas or its maternal isotope are stated. The methods for measuring inert gases are considered. The possibilities, limitations and perspectives of development of radiometric emanation methods for the solution of various problems of analytical chemistry and thechnology are discussed

Chemistry and heat-treatment effects on mechanical and microstructural properties of heat-treated, beta-extruded Ti--6A1--6V--2Sn

International Nuclear Information System (INIS)

Ulitchny, M.G.; Rack, H.J.; Dawson, D.B.

1979-04-01

The mechanical behavior of beta-extruded Ti--6A1--6V--2Sn was examined after a variety of sub-transus heat treatments. The microstructural variations resulting from the range of heat treatments studied also were examined. A range of alloy chemistries, within commercial limits, was used to evaluate the effect of this variable on mechanical properties. The strength--toughness combinations obtained in beta-extruded Ti--6A1--6V--2Sn ranged from about 895 MPa and 82.5 MPa√m for duplex annealed material to 1200 MPa and 54.9 MPa√m for solution treated and peak aged material. Chemistry variations had less effect on mechanical properties than would have been the case with alpha--beta processing

Water chemistry control to meet the advanced design and operation of light water reactors

International Nuclear Information System (INIS)

Shirai, Hiroshi; Uchida, Shunsuke; Naitoh, Masanori; Okada, Hidetoshi; Sato, Masatoshi

2014-01-01

Water chemistry control is one of the key technologies to establish safe and reliable operation of nuclear power plants. The road maps on R and D plans for water chemistry of nuclear power systems in Japan have been proposed along with promotion of R and D related water chemistry improvement for the advanced application of light water reactors (LWRs). The technical trends were divided into four categories, dose rate reduction, structural integrity, fuel integrity and radioactive waste reduction, and latest technical break through for each category was shown for the advanced application of LWRs. At the same time, the technical break through and the latest movements for regulation of water chemistry were introduced for each of major organizations related to nuclear engineering in the world. The conclusions were summarized as follows; 1. Water chemistry improvements might contribute to achieve the advanced application of LWRs, while water chemistry should be often changed to achieve the advanced application of LWRs. 2. Only one solution for water chemistry control was not obtained for achieving the advanced application of LWRs, but miscellaneous solutions were possible for achieving one. Optimal water chemistry control was desired for having the good practices for satisfying multi-targets at the same time and it was much affected by the plant unique systems and operational history. 3. That meant it was difficult to determine water chemistry regulation targets for achieving application of LWRs but it was necessary to prepare suitable guideline for good achievement of application of LWRs. That meant the guideline should be recommendation for good practice in the plant. 4. The water chemistry guide line should be modified along with progress of plant operation and water chemistry and related technologies. (author)

Progress report: Chemistry and Materials Division, 1982 April 1 - June 30

International Nuclear Information System (INIS)

1982-08-01

The work of the division in the areas of solid state studies, radiation chemistry, isotope separation, analytical chemistry and materials science is described. The solid state science group studied solute atom vacancy trapping in irradiated f.c.c. alloys as well as the rearrangement of atoms in solids bombarded by energetic heavy ions. In radiation chemistry, work was done on the pulse radiolysis of NO in argon. Isotope separation studies were done on fluoroform and uranium. Fuel burnup determination using 148 Nd and 139 La was investigated. Zirconium alloy studies included work on stress corrosion cracking and the Baushinger effect

Challenges for the Development of New Non-Toxic Antifouling Solutions

Directory of Open Access Journals (Sweden)

Jean-Philippe Maréchal

2009-10-01

Full Text Available Marine biofouling is of major economic concern to all marine industries. The shipping trade is particularly alert to the development of new antifouling (AF strategies, especially green AF paint as international regulations regarding the environmental impact of the compounds actually incorporated into the formulations are becoming more and more strict. It is also recognised that vessels play an extensive role in invasive species propagation as ballast waters transport potentially threatening larvae. It is then crucial to develop new AF solutions combining advances in marine chemistry and topography, in addition to a knowledge of marine biofoulers, with respect to the marine environment. This review presents the recent research progress made in the field of new non-toxic AF solutions (new microtexturing of surfaces, foul-release coatings, and with a special emphasis on marine natural antifoulants as well as the perspectives for future research directions.

Uptake of phosphorus from surfactant solutions by wheat leaves: spreading kinetics, wetted area, and drying time.

Science.gov (United States)

Peirce, Courtney A E; Priest, Craig; McBeath, Therese M; McLaughlin, Mike J

2016-01-07

The delivery and uptake of nutrients at the surface of plant leaves is an important physicochemical phenomenon that depends on leaf surface morphology and chemistry, fertilizer formulation chemistry (including adjuvant and associated surfactants), wetting dynamics, and many other physical, chemical and biological factors. In this study, the role of spreading dynamics in determining uptake of the macronutrient phosphorus from phosphoric acid fertilizer solution in combination with three different adjuvants was measured in the absence of droplet run-off and splashing. When run-off and splashing losses were zero, spreading and drying rates had a small to negligible effect on the uptake efficiency. The results suggest that uptake may be much less sensitive to the specific choice of adjuvant and long time-scale spreading behaviour than one might intuitively expect.

Covalent-Bond Formation via On-Surface Chemistry.

Science.gov (United States)

Held, Philipp Alexander; Fuchs, Harald; Studer, Armido

2017-05-02

In this Review article pioneering work and recent achievements in the emerging research area of on-surface chemistry is discussed. On-surface chemistry, sometimes also called two-dimensional chemistry, shows great potential for bottom-up preparation of defined nanostructures. In contrast to traditional organic synthesis, where reactions are generally conducted in well-defined reaction flasks in solution, on-surface chemistry is performed in the cavity of a scanning probe microscope on a metal crystal under ultrahigh vacuum conditions. The metal first acts as a platform for self-assembly of the organic building blocks and in many cases it also acts as a catalyst for the given chemical transformation. Products and hence success of the reaction are directly analyzed by scanning probe microscopy. This Review provides a general overview of this chemistry highlighting advantages and disadvantages as compared to traditional reaction setups. The second part of the Review then focuses on reactions that have been successfully conducted as on-surface processes. On-surface Ullmann and Glaser couplings are addressed. In addition, cyclodehydrogenation reactions and cycloadditions are discussed and reactions involving the carbonyl functionality are highlighted. Finally, the first examples of sequential on-surface chemistry are considered in which two different functionalities are chemoselectively addressed. The Review gives an overview for experts working in the area but also offers a starting point to non-experts to enter into this exciting new interdisciplinary research field. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Basic actinide chemistry and physics research in close cooperation with hot laboratories: ACTILAB

International Nuclear Information System (INIS)

Minato, K; Konashi, K; Fujii, T; Uehara, A; Nagasaki, S; Ohtori, N; Tokunaga, Y; Kambe, S

2010-01-01

Basic research in actinide chemistry and physics is indispensable to maintain sustainable development of innovative nuclear technology. Actinides, especially minor actinides of americium and curium, need to be handled in special facilities with containment and radiation shields. To promote and facilitate actinide research, close cooperation with the facilities and sharing of technical and scientific information must be very important and effective. A three-year-program B asic actinide chemistry and physics research in close cooperation with hot laboratories , ACTILAB, was started to form the basis of sustainable development of innovative nuclear technology. In this program, research on actinide solid-state physics, solution chemistry and solid-liquid interface chemistry is made using four main facilities in Japan in close cooperation with each other, where basic experiments with transuranium elements can be made. The 17 O-NMR measurements were performed on (Pu 0.91 Am 0.09 )O 2 to study the electronic state and the chemical behaviour of Am and Cm ions in electrolyte solutions was studied by distribution experiments.

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

Optimizing the continuum of cycle chemistry

Energy Technology Data Exchange (ETDEWEB)

Mathews, James A. [Electric Power Research Institute, Charlotte, NC (United States). Generation Sector, Steam and Cycle Chemistry

2012-07-15

In 2011 EPRI issued the fourth (4th) major revision to the cycle chemistry guidelines for fossil plants, re-combining the previously segregated ''treatment'' guidelines into a comprehensive document. As with each of the series of previous revisions, the 2011 updated guidelines focus on the optimization of chemistry practices for maintaining the availability, reliability, and economic performance of fossil power plants. A key element in the development and revision of the guidelines is extensive research conducted over the past fifty (50) plus years. Providing an understanding the elements of the power plant cycle and the interrelationships of the best chemistry practices are a basic tenet of the introductory chapters of the guidelines. The target values for each treatment practice and location in the cycle are discussed with specific emphasis on optimization and customization to achieve excellent corrosion protection and elimination of deposition and component damage and failure. The rationale for proper chemistry is presented; for example properly maintaining oxidizing potentials, impact of temperature on pH control, assuring alkaline (sodium) neutralization for controlling boiler corrosion, and other considerations. (orig.)

Use of chemistry software to teach and assess model-based reaction and equation knowledge

Directory of Open Access Journals (Sweden)

Kevin Pyatt

2014-12-01

Full Text Available This study investigated the challenges students face when learning chemical reactions in a first-year chemistry course and the effectiveness of a curriculum and software implementation that was used to teach and assess student understanding of chemical reactions and equations. This study took place over a two year period in a public suburban high-school, in southwestern USA. Two advanced placement (AP chemistry classes participated, referred to here as study group A (year 1, N = 14; and study group B (year 2, N = 21. The curriculum for a first-year chemistry course (group A was revised to include instruction on reaction-types. The second year of the study involved the creation and implementation of a software solution which promoted mastery learning of reaction-types. Students in both groups benefited from the reaction-type curriculum and achieved proficiency in chemical reactions and equations.  The findings suggest there was an added learning benefit to using the reaction-type software solution. This study also found that reaction knowledge was a moderate to strong predictor of chemistry achievement. Based on regression analysis, reaction knowledge significantly predicted chemistry achievement for both groups.

Department of Nuclear Physical Chemistry

International Nuclear Information System (INIS)

Mikulski, J.

1994-01-01

The research program at the Department of Nuclear Physical Chemistry of the Niewodniczanski Institute of Nuclear Physics is described. The Department consist of three laboratories. First - Laboratory of Physical Chemistry of Separation Processes on which the activity is concentrated on production and separation of neutron deficient isotopes for medical diagnostic. Recently, the main interest was in 111 In which is a promising tracer for cancer diagnostic. To increase the effectiveness of production of indium 111 In the reaction with deuterons on the enriched cadmium target was carried out instead of the previously used one with alpha particles on natural silver. In the second one - Laboratory of Chemistry and Radiochemistry - the systematic studies of physicochemical properties of transition elements in solutions are carried out. The results of the performed experiments were used for the elaboration of new rapid and selective methods for various elements. Some of these results have been applied for separation of trans actinide elements at U-400 cyclotron of JINR Dubna. The third one laboratory -Environmental Radioactivity Laboratory - conducts continuous monitoring of radioactivity contamination of atmosphere. The investigation of different radionuclides concentration in natural environment, mainly in the forest had been carried out

Degradation of p-nitrotoluene in aqueous solution by ozonation combined with sonolysis

International Nuclear Information System (INIS)

Song Shuang; Xia Min; He Zhiqiao; Ying Haiping; Lue Bosheng; Chen Jianmeng

2007-01-01

p-Nitrotoluene (PNT) is a nitroaromatic compound that is hazardous to humans and is a suspected hormone disrupter. The degradation of PNT in aqueous solution by ozonation (O 3 ) combined with sonolysis (US) was investigated in laboratory-scale experiments in which pH, initial concentration of PNT, O 3 dose and temperature were varied. The degradation of PNT followed pseudo-first-order kinetics, and degradation products were monitored during the process. The maximum degradation was observed at pH 10.0. As the initial concentration of PNT decreased, the degradation rate increased. Both temperature and ozone dose had a positive effect on the degradation of PNT. Of the total organic carbon (TOC) reduction, 8, 68, and 85% were observed with US, O 3 , and a combination of US and O 3 after reaction for 90 min, respectively, proving that ozonation combined with sonolysis for removal of TOC is more efficient than ozonation alone or ultrasonic irradiation alone. Major by-products, including p-cresol, 4-hydroxybenzaldehyde, 4-hydroxybenzoic acid, 4-(oxomethylene) cyclohexa-2,5-dien-1-one, but-2-enedioic acid, and acetic acid were detected by gas chromatography coupled with mass spectrometry

Industrial inorganic chemistry. 2. rev. ed.

International Nuclear Information System (INIS)

Buechner, W.; Schliebs, R.; Winter, G.; Buechel, K.H.

1986-01-01

Inorganic chemistry is a branch of considerable economic and technical importance. Apart from supplying the market with metals, fertilizers, building materials, pigments and glass it is one of the major suppliers of process materials to the organic chemical industry. Many modern products of other industrial sectors (video tapes, optical fibers or silicon chips) could not have been developed and manufactured without the achievements of industrial inorganic chemistry. The publication is the first of its kind to give a compact description of the inorganic chemistry sector. A clearly arranged survey facilitates access to production processes, economic aspects, ecological implications, energy consumption and raw material consumption as well as to many other data and facts. Due to its clear arrangement and the combination of technical and economic facts the book is a valuable source of information. (orig./EF) [de

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

An analytical solution for two-dimensional vacuum preloading combined with electro-osmosis consolidation using EKG electrodes

Science.gov (United States)

Qiu, Chenchen; Li, Yande

2017-01-01

China is a country with vast territory, but economic development and population growth have reduced the usable land resources in recent years. Therefore, reclamation by pumping and filling is carried out in eastern coastal regions of China in order to meet the needs of urbanization. However, large areas of reclaimed land need rapid drainage consolidation treatment. Based on past researches on how to improve the treatment efficiency of soft clay using vacuum preloading combined with electro-osmosis, a two-dimensional drainage plane model was proposed according to the Terzaghi and Esrig consolidation theory. However, the analytical solution using two-dimensional plane model was never involved. Current analytical solutions can’t have a thorough theoretical analysis of practical engineering and give relevant guidance. Considering the smearing effect and the rectangle arrangement pattern, an analytical solution is derived to describe the behavior of pore-water and the consolidation process by using EKG (electro-kinetic geo synthetics) materials. The functions of EKG materials include drainage, electric conduction and corrosion resistance. Comparison with test results is carried out to verify the analytical solution. It is found that the measured value is larger than the applied vacuum degree because of the stacking effect of the vacuum preloading and electro-osmosis. The trends of the mean measured value and the mean analytical value processes are comparable. Therefore, the consolidation model can accurately assess the change in pore-water pressure and the consolidation process during vacuum preloading combined with electro-osmosis. PMID:28771496

An analytical solution for two-dimensional vacuum preloading combined with electro-osmosis consolidation using EKG electrodes.

Directory of Open Access Journals (Sweden)

Yang Shen

Full Text Available China is a country with vast territory, but economic development and population growth have reduced the usable land resources in recent years. Therefore, reclamation by pumping and filling is carried out in eastern coastal regions of China in order to meet the needs of urbanization. However, large areas of reclaimed land need rapid drainage consolidation treatment. Based on past researches on how to improve the treatment efficiency of soft clay using vacuum preloading combined with electro-osmosis, a two-dimensional drainage plane model was proposed according to the Terzaghi and Esrig consolidation theory. However, the analytical solution using two-dimensional plane model was never involved. Current analytical solutions can't have a thorough theoretical analysis of practical engineering and give relevant guidance. Considering the smearing effect and the rectangle arrangement pattern, an analytical solution is derived to describe the behavior of pore-water and the consolidation process by using EKG (electro-kinetic geo synthetics materials. The functions of EKG materials include drainage, electric conduction and corrosion resistance. Comparison with test results is carried out to verify the analytical solution. It is found that the measured value is larger than the applied vacuum degree because of the stacking effect of the vacuum preloading and electro-osmosis. The trends of the mean measured value and the mean analytical value processes are comparable. Therefore, the consolidation model can accurately assess the change in pore-water pressure and the consolidation process during vacuum preloading combined with electro-osmosis.

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

Comparison of snowpack and winter wet-deposition chemistry in the Rocky Mountains, USA: implications for winter dry deposition

Science.gov (United States)

Clow, David W.; Ingersoll, George P.; Mast, M. Alisa; Turk, John T.; Campbell, Donald H.

Depth-integrated snowpack chemistry was measured just prior to maximum snowpack depth during the winters of 1992-1999 at 12 sites co-located with National Atmospheric Deposition Program/National Trend Network (NADP/NTN) sites in the central and southern Rocky Mountains, USA. Winter volume-weighted mean wet-deposition concentrations were calculated for the NADP/NTN sites, and the data were compared to snowpack concentrations using the paired t-test and the Wilcoxon signed-rank test. No statistically significant differences were indicated in concentrations of SO 42- or NO 3- ( p>0.1). Small, but statistically significant differences ( p⩽0.03) were indicated for all other solutes analyzed. Differences were largest for Ca 2+ concentrations, which on average were 2.3 μeq l -1 (43%) higher in the snowpack than in winter NADP/NTN samples. Eolian carbonate dust appeared to influence snowpack chemistry through both wet and dry deposition, and the effect increased from north to south. Dry deposition of eolian carbonates was estimated to have neutralized an average of 6.9 μeq l -1 and a maximum of 12 μeq l -1 of snowpack acidity at the southernmost sites. The good agreement between snowpack and winter NADP/NTN SO 42- and NO 3- concentrations indicates that for those solutes the two data sets can be combined to increase data density in high-elevation areas, where few NADP/NTN sites exist. This combination of data sets will allow for better estimates of atmospheric deposition of SO 42- and NO 3- across the Rocky Mountain region.

Lifecycle comparison of selected Li-ion battery chemistries under grid and electric vehicle duty cycle combinations

Science.gov (United States)

Crawford, Alasdair J.; Huang, Qian; Kintner-Meyer, Michael C. W.; Zhang, Ji-Guang; Reed, David M.; Sprenkle, Vincent L.; Viswanathan, Vilayanur V.; Choi, Daiwon

2018-03-01

Li-ion batteries are expected to play a vital role in stabilizing the electrical grid as solar and wind generation capacity becomes increasingly integrated into the electric infrastructure. This article describes how two different commercial Li-ion batteries based on LiNi0.8Co0.15Al0.05O2 (NCA) and LiFePO4 (LFP) chemistries were tested under grid duty cycles recently developed for two specific grid services: (1) frequency regulation (FR) and (2) peak shaving (PS) with and without being subjected to electric vehicle (EV) drive cycles. The lifecycle comparison derived from the capacity, round-trip efficiency (RTE), resistance, charge/discharge energy, and total used energy of the two battery chemistries are discussed. The LFP chemistry shows better stability for the energy-intensive PS service, while the NCA chemistry is more conducive to the FR service under the operating regimes investigated. The results can be used as a guideline for selection, deployment, operation, and cost analyses of Li-ion batteries used for different applications.

Proceedings of the water chemistry and materials performance conference

International Nuclear Information System (INIS)

Barber, D.

1986-01-01

The proceedings contain 11 papers dealing with primary and secondary side water chemistry in CANDU reactors, with the associated problems of activity transport and steam generator corrosion, and also with the use of decontaminating solutions. The individual papers have been abstracted separately

Proceedings of the water chemistry and materials performance conference

Energy Technology Data Exchange (ETDEWEB)

Barber, D [ed.; Atomic Energy of Canada Ltd., Sheridan Park, ON (Canada). CANDU Operations

1987-12-31

The proceedings contain 11 papers dealing with primary and secondary side water chemistry in CANDU reactors, with the associated problems of activity transport and steam generator corrosion, and also with the use of decontaminating solutions. The individual papers have been abstracted separately.

Quantifying atmospheric transport, chemistry, and mixing using a new trajectory-box model and a global atmospheric-chemistry GCM

Directory of Open Access Journals (Sweden)

H. Riede

2009-12-01

Full Text Available We present a novel method for the quantification of transport, chemistry, and mixing along atmospheric trajectories based on a consistent model hierarchy. The hierarchy consists of the new atmospheric-chemistry trajectory-box model CAABA/MJT and the three-dimensional (3-D global ECHAM/MESSy atmospheric-chemistry (EMAC general circulation model. CAABA/MJT employs the atmospheric box model CAABA in a configuration using the atmospheric-chemistry submodel MECCA (M, the photochemistry submodel JVAL (J, and the new trajectory submodel TRAJECT (T, to simulate chemistry along atmospheric trajectories, which are provided offline. With the same chemistry submodels coupled to the 3-D EMAC model and consistent initial conditions and physical parameters, a unique consistency between the two models is achieved. Since only mixing processes within the 3-D model are excluded from the model consistency, comparisons of results from the two models allow to separate and quantify contributions of transport, chemistry, and mixing along the trajectory pathways. Consistency of transport between the trajectory-box model CAABA/MJT and the 3-D EMAC model is achieved via calculation of kinematic trajectories based on 3-D wind fields from EMAC using the trajectory model LAGRANTO. The combination of the trajectory-box model CAABA/MJT and the trajectory model LAGRANTO can be considered as a Lagrangian chemistry-transport model (CTM moving isolated air parcels. The procedure for obtaining the necessary statistical basis for the quantification method is described as well as the comprehensive diagnostics with respect to chemistry.

The quantification method presented here allows to investigate the characteristics of transport, chemistry, and mixing in a grid-based 3-D model. The analysis of chemical processes within the trajectory-box model CAABA/MJT is easily extendable to include, for example, the impact of different transport pathways or of mixing processes onto

Position paper on main areas of nuclear chemistry research and application

International Nuclear Information System (INIS)

2001-01-01

Nuclear chemistry, with its specialized areas of nuclear chemistry, radiochemistry, and radiation chemistry, mainly covers these fields: basic research in nuclear chemistry; actinide chemistry; radioanalysis; nuclear chemistry in the life sciences, geosciences, and cosmic chemistry; radiotracers in technology; nuclear power technology; nuclear waste management; tritium chemistry in fusion technology, and radiation protection and radioecology. In the more than one hundred years of history of this branch of science and technology, which was opened up by the discovery of radioactivity and of the radioelements, pioneering discoveries and developments have been made in many sectors. Far beyond the confines of this area of work, they have achieved overriding importance in applications in many fields of technology and industry and in the life sciences. Research and application in nuclear chemistry continue to be highly relevant to society, ecology, and the economy, and the potential of science and technology in this field in Germany is acknowledged internationally. In the light of this vast area of activity, and against the need to maintain competence in nuclear chemistry for the use of nuclear power, irrespective of the status of this continued use in Germany, nuclear chemistry is indispensable to the solution of future problems. The Nuclear Chemistry Group of the Gesellschaft Deutscher Chemiker therefore uses this position paper to draw attention to the urgent need to keep up and further advance nuclear chemistry applications in a variety of areas of science and technology, also as a public duty of thorough education and research. (orig.) [de

An Open Source Computational Framework for Uncertainty Quantification of Plasma Chemistry Models

OpenAIRE

Zaheri Sarabi, Shadi

2017-01-01

The current thesis deals with the development of a computational framework for performing plasma chemistry simulations and their uncertainty quantification analysis by suitably combining and extending existing open source computational tools. A plasma chemistry solver is implemented in the OpenFOAM C++ solver suite. The OpenFOAM plasma chemistry application solves the species conservation equations and the electron energy equation by accounting suitably for various production and loss terms b...

Proceedings of the national conference on recent trends in materials chemistry and engineering

International Nuclear Information System (INIS)

2011-01-01

This national conference focuses on the latest trends in materials chemistry and engineering. Materials chemistry unites the diverse disciplines of science seamlessly and underlines the need for a collaborative research. In today's technologically advanced society, the need to extend the wealth of basic knowledge on materials to the solutions of engineering problems is great. Papers relevant to INIS are indexed separately

Removal of heavy metals from aqueous solution by using mango ...

African Journals Online (AJOL)

user

2011-03-14

Mar 14, 2011 ... exchange, reverse osmosis and solvent extraction (Rich and Cherry, 1987). ... the solution chemistry of the metals, the activity of the functional groups in the .... and Zn2+ from synthetic solutions in single and binary metal solutions. ... coefficient of determination are 0.9449 and 0.9643 for. Langmiur and ...

The chemistry of salt-affected soils and waters

Science.gov (United States)

Knowledge of the chemistry of salt affected soils and waters is necessary for management of irrigation in arid and semi-arid regions. In this chapter we review the origin of salts in the landscape, the major chemical reactions necessary for prediction of the soil solution composition, and the use of...

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)

Effects of different combinations of Hoagland's solution and Azolla ...

African Journals Online (AJOL)

ALAN

2013-04-17

Apr 17, 2013 ... hydroponic cultures containing different compositions of hydroponic solutions were evaluated in ... (Hoagland's solution minus N solution excluding Azolla; ..... nutrient deficiencies on photosynthesis and respiration in spinach.

Education in Environmental Chemistry: Setting the Agenda and Recommending Action

Science.gov (United States)

Zoller, Uri

2005-01-01

The effective utilization of Education in Environmental Chemistry (EEC) in addressing global and societal environmental problems requires integration between educational, technical, financial, ethical and societal considerations. An interdisciplinary approach is fundamental to efforts to achieve long-term solutions.

"Drug" Discovery with the Help of Organic Chemistry.

Science.gov (United States)

Itoh, Yukihiro; Suzuki, Takayoshi

2017-01-01

The first step in "drug" discovery is to find compounds binding to a potential drug target. In modern medicinal chemistry, the screening of a chemical library, structure-based drug design, and ligand-based drug design, or a combination of these methods, are generally used for identifying the desired compounds. However, they do not necessarily lead to success and there is no infallible method for drug discovery. Therefore, it is important to explore medicinal chemistry based on not only the conventional methods but also new ideas. So far, we have found various compounds as drug candidates. In these studies, some strategies based on organic chemistry have allowed us to find drug candidates, through 1) construction of a focused library using organic reactions and 2) rational design of enzyme inhibitors based on chemical reactions catalyzed by the target enzyme. Medicinal chemistry based on organic chemical reactions could be expected to supplement the conventional methods. In this review, we present drug discovery with the help of organic chemistry showing examples of our explorative studies on histone deacetylase inhibitors and lysine-specific demethylase 1 inhibitors.

Unusual Amino Acids in Medicinal Chemistry.

Science.gov (United States)

Blaskovich, Mark A T

2016-12-22

Unusual amino acids are fundamental building blocks of modern medicinal chemistry. The combination of readily functionalized amine and carboxyl groups attached to a chiral central core along with one or two potentially diverse side chains provides a unique three-dimensional structure with a high degree of functionality. This makes them invaluable as starting materials for syntheses of complex molecules, highly diverse elements for SAR campaigns, integral components of peptidomimetic drugs, and potential drugs on their own. This Perspective highlights the diversity of unnatural amino acid structures found in hit-to-lead and lead optimization campaigns and clinical stage and approved drugs, reflecting their increasingly important role in medicinal chemistry.

A Polymer "Pollution Solution" Classroom Activity.

Science.gov (United States)

Helser, Terry L.

1996-01-01

Explains an approach to presenting polymer chemistry to nonmajors that employs polystyrene foam, foam peanuts made from water soluble starch, and water soluble plastic bags. Students are presented with a pollution scenario and are guided to the discovery of solutions. (DDR)

An introduction to radiation induced degradation of biological molecules in aqueous solutions

International Nuclear Information System (INIS)

Lal, Manohar

1991-01-01

Radiation chemistry of aqueous systems is the chemistry of H, OH, e aq - , H 3 O + and H 2 O * formed when a solute in aqueous solutions is exposed to ionising radiation. The pulse radiolysis technique has helped in the production, the detection and understanding of the reactions of primary species with solutes. A great deal of data on radiation biochemical studies e.g. degradation of DNA, its constituents and their protection, radiation protection and sensitisation, generation of superoxide ion and their reactions has already been reported but a great deal still needs to be done for the understanding of radiation biology. (author). 12 refs

The Chemistry of Inorganic Precursors during the Chemical Deposition of Films on Solid Surfaces.

Science.gov (United States)

Barry, Seán T; Teplyakov, Andrew V; Zaera, Francisco

2018-03-20

viewed from the point of view of the metalorganic complexes used as precursors: they are bulky and rigid, can provide multiple binding sites for a single reaction, and can promote unique bonding modes, especially on metals, which have delocalized electronic structures. The differences between the molecular and surface chemistry of CVD and ALD precursors can result in significant variations in their reactivity, ultimately leading to unpredictable properties in the newly grown films. In this Account, we discuss some of the main similarities and differences in chemistry that CVD/ALD precursors follow on surfaces when contrasted against their known behavior in solution, with emphasis on our own work but also referencing other key contributions. Our approach is unique in that it combines expertise from the inorganic, surface science, and quantum-mechanics fields to better understand the mechanistic details of the chemistry of CVD and ALD processes and to identify new criteria to consider when designing CVD/ALD precursors.

Solution XAS Analysis for Exploring the Active Species in Homogeneous Vanadium Complex Catalysis

Science.gov (United States)

Nomura, Kotohiro; Mitsudome, Takato; Tsutsumi, Ken; Yamazoe, Seiji

2018-06-01

Selected examples in V K-edge X-ray Absorption Near Edge Structure (XANES) analysis of a series of vanadium complexes containing imido ligands (possessing metal-nitrogen double bond) in toluene solution have been introduced, and their pre-edge and the edge were affected by their structures and nature of ligands. Selected results in exploring the oxidation states of the active species in ethylene dimerization/polymerization using homogeneous vanadium catalysts [consisting of (imido)vanadium(V) complexes and Al cocatalysts] by X-ray absorption spectroscopy (XAS) analyses have been introduced. It has been demonstrated that the method should provide more clear information concerning the active species in situ, especially by combination with the other methods (NMR and ESR spectra, X-ray crystallographic analysis, and reaction chemistry), and should be powerful tool for study of catalysis mechanism as well as for the structural analysis in solution.

Major ion chemistry of the Son River, India: Weathering processes ...

Indian Academy of Sciences (India)

solute flux and CDR values. The water chemistry indicates that the Son River water is good to excellent .... to separate suspended sediments and preserved at. 4◦C for further ...... and waste water, 20th edn; American Public Health. Association ...

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.

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

Selecting automation for the clinical chemistry laboratory.

Science.gov (United States)

Melanson, Stacy E F; Lindeman, Neal I; Jarolim, Petr

2007-07-01

Laboratory automation proposes to improve the quality and efficiency of laboratory operations, and may provide a solution to the quality demands and staff shortages faced by today's clinical laboratories. Several vendors offer automation systems in the United States, with both subtle and obvious differences. Arriving at a decision to automate, and the ensuing evaluation of available products, can be time-consuming and challenging. Although considerable discussion concerning the decision to automate has been published, relatively little attention has been paid to the process of evaluating and selecting automation systems. To outline a process for evaluating and selecting automation systems as a reference for laboratories contemplating laboratory automation. Our Clinical Chemistry Laboratory staff recently evaluated all major laboratory automation systems in the United States, with their respective chemistry and immunochemistry analyzers. Our experience is described and organized according to the selection process, the important considerations in clinical chemistry automation, decisions and implementation, and we give conclusions pertaining to this experience. Including the formation of a committee, workflow analysis, submitting a request for proposal, site visits, and making a final decision, the process of selecting chemistry automation took approximately 14 months. We outline important considerations in automation design, preanalytical processing, analyzer selection, postanalytical storage, and data management. Selecting clinical chemistry laboratory automation is a complex, time-consuming process. Laboratories considering laboratory automation may benefit from the concise overview and narrative and tabular suggestions provided.

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

Analytical Chemistry Division annual progress report for period ending December 31, 1991

Energy Technology Data Exchange (ETDEWEB)

NONE

1992-01-01

The following sentences highlight some of the technical activities carried out during 1991. They illustrate the diversity of programs and technical work performed within the Analytical Chemistry Division. Our neutron activation analysis laboratory at HFIR was placed into operation during 1991. We have combined inductively coupled plasma mass spectrometry (ICP/MS) with a preparation procedure developed at the Argonne National Laboratory to measure ultra-trace levels of U, Pu, Np, and Am in body fluids, primarily urine. Much progress has been made over the last year in the interfacing of an rf-powered glow discharge source to a double-focusing mass spectrometer. Preliminary experiments using electrospray ionization combined with ion trap mass spectrometry show much promise for the analysis of metals in solution. A secondary ion microprobe has been constructed that permits determination of the distribution of organic compounds less than a monolayer thick on samples as large as 1 cm diameter. Fourier transform mass spectrometry has been demonstrated to be a highly effective tool for the detailed characterization of biopolymers, especially normal and modified oligonucleotides. Much has been accomplished in understanding the fundamentals of quadrupole ion trap mass spectrometry. Work with ITMS instrumentation has led to the development of rapid methods for the detection of trace organics in environmental and physiological samples. A new type of time-of-flight mass spectrometer was designed for use with our positron ionization experiments. Fundamental research on chromatography at high concentrations and on gas-solid adsorption has continued. The preparation of a monograph on the chemistry of environmental tobacco smoke was completed this year.

Organization of a cognitive activity of students when teaching analytical chemistry

Directory of Open Access Journals (Sweden)

А. Tapalova

2012-12-01

Full Text Available Qualitative analysis allows using basic knowledge of general and inorganic chemistry for the solution of practical problems, disclosure the chemism of the processes that are fundamental for  the methods of analysis. Systematic qualitative analysis develops analytical thinking, establishes a scientific style of thinking of students.Сhemical analysis requires certain skills and abilities and develops the general chemical culture of the future teachers оn chemistry. The result can be evaluated in the course of self-control, peer review, and solving creative problems. Mastering the techniques of critical thinking (comparison, abstraction, generalization and their use in a particular chemical material - are necessary element in the formation of professional thinking of the future chemistry teacher.

Developments and prospects of radiation chemistry

International Nuclear Information System (INIS)

Imamura, Masashi

1984-01-01

The fruitful achievement which has been obtained in the radiation chemistry laboratory of the Institute of Physical and Chemical Research during the research for twenty years from 1963 to 1983 is summarized in this review. In the section of investigation of radiation-induced chemical reaction, the new problems and their interpretation of LET effect in the case of aqueous solution of ferrous chloride and liquid organic compound, and the radiation chemistry of liquid methanol are described, and in the section of investigation of ion-radicals, low temperature rigid solution-γ-ray irradiation method including the outline of the method and the electron absorption spectra of ion-radicals and the structure are described. In the section of pulse-radiolysis method (pulsed electron beam irradiation method), the application to the investigation of dimer cations, the initial process of dimer anions and ionic polymerization, the solvation process of anion radicals, and the long distance transfer of electrons in amorphous solid are explained. In the section of research on metal porphyrin complex related to the chemical conversion of solar energy, chlorophyll-a and its dimer, and synthetic metal porphyrin complex, and in the section of research on photochemical reaction, photochemical reaction and the chemical effect on radioactive disintegration are explained. (Yoshitake, I.)

Liquid crystals beyond displays chemistry, physics, and applications

CERN Document Server

Li, Quan

2012-01-01

The chemistry, physics, and applications of liquid crystals beyond LCDs Liquid Crystals (LCs) combine order and mobility on a molecular and supramolecular level. But while these remarkable states of matter are most commonly associated with visual display technologies, they have important applications for a variety of other fields as well. Liquid Crystals Beyond Displays: Chemistry, Physics, and Applications considers these, bringing together cutting-edge research from some of the most promising areas of LC science. Featuring contributions from respected researchers from around the globe, th

40th anniversary of 'ALSTOM Power Plant Chemistry' in Mannheim

International Nuclear Information System (INIS)

Leidich, F.U.; Seipp, H.G.

2008-01-01

The power plant chemistry department of Alstom in Mannheim was founded in 1967. The presentation summarizes our contributions to the development of new power plant technologies over the past four decades. In addition, an overview of the future activities of our department is presented. In the retrospective the following examples are mentioned: nuclear power, combined cycles, supercritical steam generators and the contributions of Alstom's power plant chemistry department to, for example, the VGB guidelines. The outlook includes the expected contribution of power plant chemistry to solving challenges in connection with 700 C technology steam power plants, oxyfuel processes and carbon capture. (orig.)

On being green: can flow chemistry help?

Science.gov (United States)

Ley, Steven V

2012-08-01

The principles of Green Chemistry are important but challenging drivers for most modern synthesis programs. To meet these challenges new flow chemistry tools are proving to be very effective by providing improved heat/mass transfer opportunities, lower solvent usage, less waste generation, hazardous compound containment, and the possibility of a 24/7 working regime. This machine-assisted approach can be used to effect repetitive or routine scale-up steps or when combined with reagent and scavenger cartridges, to achieve multi-step synthesis of complex natural products and pharmaceutical agents. Copyright © 2012 The Japan Chemical Journal Forum and Wiley Periodicals, Inc.

Critical Science Education in a Suburban High School Chemistry Class

Science.gov (United States)

Ashby, Patrick

To improve students' scientific literacy and their general perceptions of chemistry, I enacted critical chemistry education (CCE) in two "regular level" chemistry classes with a group of 25 students in a suburban, private high school as part of this study. CCE combined the efforts of critical science educators (Fusco & Calabrese Barton, 2001; Gilbert 2013) with the performance expectations of the Next Generation Science Standards (NGSS) (NGSS Lead States, 2013a) to critically transform the traditional chemistry curriculum at this setting. Essentially, CCE engages students in the critical exploration of socially situated chemistry content knowledge and requires them to demonstrate this knowledge through the practices of science. The purpose of this study was to gauge these students development of chemistry content knowledge, chemistry interest, and critical scientific literacy (CSL) as they engaged in CCE. CSL was a construct developed for this study that necessarily combined the National Research Center's (2012) definition of scientific literacy with a critical component. As such, CSL entailed demonstrating content knowledge through the practices of science as well as the ability to critically analyze the intersections between science content and socially relevant issues. A mixed methods, critical ethnographic approach framed the collection of data from open-ended questionnaires, focus group interviews, Likert surveys, pre- and post unit tests, and student artifacts. These data revealed three main findings: (1) students began to develop CSL in specific, significant ways working through the activities of CCE, (2) student participants of CCE developed a comparable level of chemistry content understanding to students who participated in a traditional chemistry curriculum, and (3) CCE developed a group of students' perceptions of interest in chemistry. In addition to being able to teach students discipline specific content knowledge, the implications of this study are

Scorpion toxins prefer salt solutions

Czech Academy of Sciences Publication Activity Database

Nikouee, A.; Khabiri, Morteza; Cwiklik, Lukasz

2015-01-01

Roč. 21, č. 11 (2015), 287/1-287/14 ISSN 1610-2940 R&D Projects: GA ČR GA13-06181S Institutional support: RVO:61388963 ; RVO:61388955 Keywords : ionic solutions * molecular dynamics * nonaqueous media * secondary structure Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.438, year: 2015

Characteristics of meaningful chemistry education - The case of water quality

NARCIS (Netherlands)

Westbroek, Hanna Barbara

2005-01-01

This thesis addresses the question of how to involve students in meaningful chemistry education by a proper implementation of three characteristics of meaningful: a context, a need-to-know approach and attention for student input. The characteristics were adopted as solution strategies for

Actinyl chemistry at the Centre for Radiochemistry Research

International Nuclear Information System (INIS)

May, Iain; Copping, Roy; Cornet, Stephanie M.; Talbot-Eeckelears, Catherine E.; Gaunt, Andrew J.; John, Gordon H.; Redmond, Mike P.; Sharrad, Clint A.; Sutton, Andrew D.; Collison, David; Fox, O. Danny; Jones, Chris J.; Sarsfield, Mark J.; Taylor, Robin J.

2007-01-01

Increasing our basic chemical knowledge of the actinyl cations ({AnO 2 } 2+/+ , where An = U, Np, Pu or Am) is vital for underpinning the development of novel nuclear waste management and nuclear fuel processing technologies, as well as increasing our understanding of actinide behaviour in the environment. Over recent years there have been significant advances made in uranyl, neptunyl and plutonyl chemistry, with the main focus on uranyl. At the Centre for Radiochemistry Research (CRR), University of Manchester, there are ongoing projects investigating the coordination chemistry of the actinyl cations. These projects are undertaken at the CRR and at higher specific activity alpha facilities accessed through Nexia Solutions and the EU ACTINET programme, as well as concomitant computational chemistry projects at University College London. Recent discoveries have included the complexation of transuranic actinyl cations with tri-lacunary heteropolytungstate ligands and spectroscopic and structural evidence for the direct coordination of the pertechnetate anion to {UO 2 } 2+

From hot atom chemistry to epithermal chemistry

International Nuclear Information System (INIS)

Roessler, K.

2004-01-01

The rise and fall of hot atom chemistry (HAC) over the years from 1934 to 2004 is reviewed. Several applications are discussed, in particular to astrophysics and the interaction of energetic ions and atoms in space. Epithermal chemistry (ETC) is proposed to substitute the old name, since it better fits the energy range as well as the non-thermal and non-equilibrium character of the reactions. ETC also avoids the strong connexion of HAC to nuclear chemistry and stands for the opening of the field to physical chemistry and astrophysics. (orig.)

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...

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.

Bubble and foam chemistry

CERN Document Server

Pugh, Robert J

2016-01-01

This indispensable guide will equip the reader with a thorough understanding of the field of foaming chemistry. Assuming only basic theoretical background knowledge, the book provides a straightforward introduction to the principles and properties of foams and foaming surfactants. It discusses the key ideas that underpin why foaming occurs, how it can be avoided and how different degrees of antifoaming can be achieved, and covers the latest test methods, including laboratory and industrial developed techniques. Detailing a variety of different kinds of foams, from wet detergents and food foams, to polymeric, material and metal foams, it connects theory to real-world applications and recent developments in foam research. Combining academic and industrial viewpoints, this book is the definitive stand-alone resource for researchers, students and industrialists working on foam technology, colloidal systems in the field of chemical engineering, fluid mechanics, physical chemistry, and applied physics.

Selective host molecules obtained by dynamic adaptive chemistry.

Science.gov (United States)

Matache, Mihaela; Bogdan, Elena; Hădade, Niculina D

2014-02-17

Up till 20 years ago, in order to endow molecules with function there were two mainstream lines of thought. One was to rationally design the positioning of chemical functionalities within candidate molecules, followed by an iterative synthesis-optimization process. The second was the use of a "brutal force" approach of combinatorial chemistry coupled with advanced screening for function. Although both methods provided important results, "rational design" often resulted in time-consuming efforts of modeling and synthesis only to find that the candidate molecule was not performing the designed job. "Combinatorial chemistry" suffered from a fundamental limitation related to the focusing of the libraries employed, often using lead compounds that limit its scope. Dynamic constitutional chemistry has developed as a combination of the two approaches above. Through the rational use of reversible chemical bonds together with a large plethora of precursor libraries, one is now able to build functional structures, ranging from quite simple molecules up to large polymeric structures. Thus, by introduction of the dynamic component within the molecular recognition processes, a new perspective of deciphering the world of the molecular events has aroused together with a new field of chemistry. Since its birth dynamic constitutional chemistry has continuously gained attention, in particular due to its ability to easily create from scratch outstanding molecular structures as well as the addition of adaptive features. The fundamental concepts defining the dynamic constitutional chemistry have been continuously extended to currently place it at the intersection between the supramolecular chemistry and newly defined adaptive chemistry, a pivotal feature towards evolutive chemistry. Copyright © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Approximate ideal multi-objective solution Q(λ) learning for optimal carbon-energy combined-flow in multi-energy power systems

International Nuclear Information System (INIS)

Zhang, Xiaoshun; Yu, Tao; Yang, Bo; Zheng, Limin; Huang, Linni

2015-01-01

Highlights: • A novel optimal carbon-energy combined-flow (OCECF) model is firstly established. • A novel approximate ideal multi-objective solution Q(λ) learning is designed. • The proposed algorithm has a high convergence stability and reliability. • The proposed algorithm can be applied for OCECF in a large-scale power grid. - Abstract: This paper proposes a novel approximate ideal multi-objective solution Q(λ) learning for optimal carbon-energy combined-flow in multi-energy power systems. The carbon emissions, fuel cost, active power loss, voltage deviation and carbon emission loss are chosen as the optimization objectives, which are simultaneously optimized by five different Q-value matrices. The dynamic optimal weight of each objective is calculated online from the entire Q-value matrices such that the greedy action policy can be obtained. Case studies are carried out to evaluate the optimization performance for carbon-energy combined-flow in an IEEE 118-bus system and the regional power grid of southern China.

Adsorption from solutions of non-electrolytes

CERN Document Server

Kipling, J J

1965-01-01

Adsorption from Solutions of Non-Electrolytes provides a general discussion of the subject, which has so far been given little or no attention in current textbooks of physical chemistry. A general view of the subject is particularly needed at a time when we wish to see how far it will be possible to use theories of solutions to explain the phenomena of adsorption. The book opens with an introductory chapter on the types of interface, aspects of adsorption from solution, types of adsorption, and classification of systems. This is followed by separate chapters on experimental methods, adsorption

The chemistry of UV and EB radiation curing

International Nuclear Information System (INIS)

Garnett, J.L.

1987-01-01

The application of photopolymerisation (UV) and electron beam (EB) technologies in radiation rapid cure (RRC) processing is discussed. The chemistry associated with such reactions and the mechanisms of the processes are treated. The occurrence of concurrent grafting to substrate with radiation curing of film is shown to be an advantage in enhancing the properties of certain finished products. The parameters influencing the optimum grafting yield in such RRC processes are discussed. In many applications, the chemistry of the process combined with the machine, expecially for EB, is shown a so-called ''turn-key'' operation. (author)

The chemistry of UV and BE radiation curing

International Nuclear Information System (INIS)

Garnett, J.L.

1991-01-01

The application of photopolymerisation (UV) and electron beams (EB) technologies in radiation rapid cure (PRC) processing is discussed. The chemistry associated with such reactions and the mechanisms of the processes are treated. The occurrence of concurrent grafting to substrate with radiation curing of films is shown to be an advantage in enhancing the properties of certain finished products. The parameters influencing the optimum grafting yield in such PRC processes are discussed. In many applications, the chemistry of such processes combined with the machine, specially for EB is shown. (author)

Role of Precursor-Conversion Chemistry in the Crystal-Phase Control of Catalytically Grown Colloidal Semiconductor Quantum Wires.

Science.gov (United States)

Wang, Fudong; Buhro, William E

2017-12-26

Crystal-phase control is one of the most challenging problems in nanowire growth. We demonstrate that, in the solution-phase catalyzed growth of colloidal cadmium telluride (CdTe) quantum wires (QWs), the crystal phase can be controlled by manipulating the reaction chemistry of the Cd precursors and tri-n-octylphosphine telluride (TOPTe) to favor the production of either a CdTe solute or Te, which consequently determines the composition and (liquid or solid) state of the Bi x Cd y Te z catalyst nanoparticles. Growth of single-phase (e.g., wurtzite) QWs is achieved only from solid catalysts (y ≪ z) that enable the solution-solid-solid growth of the QWs, whereas the liquid catalysts (y ≈ z) fulfill the solution-liquid-solid growth of the polytypic QWs. Factors that affect the precursor-conversion chemistry are systematically accounted for, which are correlated with a kinetic study of the composition and state of the catalyst nanoparticles to understand the mechanism. This work reveals the role of the precursor-reaction chemistry in the crystal-phase control of catalytically grown colloidal QWs, opening the possibility of growing phase-pure QWs of other compositions.

Laboratory Automatic Titration of Chromium Plating and Electropolishing Solutions

National Research Council Canada - National Science Library

Sopok, Samuel

2001-01-01

.... The analytical chemistry literature lacks an adequate automatic titration method for the monitoring of chromic acid in chromium plating solutions and the monitoring of phosphoric and sulfuric acids...

Improved water chemistry controls for minimizing degradation of materials

International Nuclear Information System (INIS)

Sawochka, S.G.

1986-01-01

The Electric Power Research Institute and the Steam Generator Owners Group have sponsored several efforts to develop secondary water chemistry guidelines to minimize pressurized water reactor (PWR) steam generator tubing degradation. To develop these guidelines, chemical species known to accelerate corrosion of Alloy 600 were identified, and values for normal and abnormal chemistry situations were established. For example, sodium hydroxide was known to accelerate Alloy 600 intergranular attack stress corrosion cracking; thus, guidelines were developed for blowdown sodium concentrations in recirculating steam generator systems. Similarly, formation of acidic solutions, particularly as a result of chloride ingress at seawater sites, was known to accelerate denting; thus, chloride guidelines were established. A blowdown cation conductivity limit was established to minimize concentrations of other anionic species. Guidelines also were developed for condensate and feedwater chemistry to minimize general corrosion of system materials, thereby minimizing sludge and deposit buildup in the steam generators

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.

Advanced chemistry management system to optimize BWR chemistry control

International Nuclear Information System (INIS)

Maeda, K.; Nagasawa, K.

2002-01-01

BWR plant chemistry control has close relationships among nuclear safety, component reliability, radiation field management and fuel integrity. Advanced technology is required to improve chemistry control [1,3,6,7,10,11]. Toshiba has developed TACMAN (Toshiba Advanced Chemistry Management system) to support BWR chemistry control. The TACMAN has been developed as response to utilities' years of requirements to keep plant operation safety, reliability and cost benefit. The advanced technology built into the TACMAN allows utilities to make efficient chemistry control and to keep cost benefit. TACMAN is currently being used in response to the needs for tools those plant chemists and engineers could use to optimize and identify plant chemistry conditions continuously. If an incipient condition or anomaly is detected at early stage, root causes evaluation and immediate countermeasures can be provided. Especially, the expert system brings numerous and competitive advantages not only to improve plant chemistry reliability but also to standardize and systematize know-how, empirical knowledge and technologies in BWR chemistry This paper shows detail functions of TACMAN and practical results to evaluate actual plant. (authors)

Multi-Scale Modelling of the Gamma Radiolysis of Nitrate Solutions

OpenAIRE

Horne, Gregory; Donoclift, Thomas; Sims, Howard E.; M. Orr, Robin; Pimblott, Simon

2016-01-01

A multi-scale modelling approach has been developed for the extended timescale long-term radiolysis of aqueous systems. The approach uses a combination of stochastic track structure and track chemistry as well as deterministic homogeneous chemistry techniques and involves four key stages; radiation track structure simulation, the subsequent physicochemical processes, nonhomogeneous diffusion-reaction kinetic evolution, and homogeneous bulk chemistry modelling. The first three components model...

Finite rate chemistry for USA-series codes - rormulation and applications

International Nuclear Information System (INIS)

Palaniswamy, S.; Chakravarthy, S.R.; Ota, D.K.

1989-01-01

The USA-series of CFD codes are based on unified solution algorithms including explicit and implicit formulations, factorization and relaxation approaches, time marching and space marching methodologies, etc., in order to be able to solve a very wide class of CFD problems using a single framework. Euler or Navier-Stokes equations are solved using a finite-volume treatment with upwind Total Variation Diminishing discretization for the inviscid terms. Recently, these codes have been enlarged to also unify different aerothermodynamic options (perfect gas, real gas including equilibrium and nonequlibrium chemistry). This paper describes aspects of the finite-rate-chemistry capability. 27 references

Green chemistry; La chimie verte

Energy Technology Data Exchange (ETDEWEB)

Colonna, P. [Institut National de la Recherche Agronomique, Dept. Caracterisation et Elaboration des Produits, 78 - Versailles (France)

2006-07-01

The depletion of world fossil fuel reserves and the involvement of greenhouse gases in the global warming has led to change the industrial and energy policies of most developed countries. The goal is now to reserve petroleum to the uses where it cannot be substituted, to implement renewable raw materials obtained from plants cultivation, and to consider the biodegradability of molecules and of manufactured objects by integrating the lifetime concept in their expected cycle of use. The green chemistry includes the design, development and elaboration of chemical products and processes with the aim of reducing or eliminating the use and generation of harmful compounds for the health and the environment, by adapting the present day operation modes of the chemical industry to the larger framework of the sustainable development. In addition to biofuels, this book reviews the applications of green chemistry in the different industrial processes in concern. Part 1 presents the diversity of the molecules coming from renewable carbon, in particular lignocellulose and the biotechnological processes. Part 2 is devoted to materials and treats of the overall available technological solutions. Part 3 focusses on functional molecules and chemical intermediates, in particular in sugar- and fats-chemistry. Part 4 treats of biofuels under the aspects of their production and use in today's technologies. The last part deals with the global approaches at the environmental and agricultural levels. (J.S.)

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...

Influence of water chemistry on fuel cladding behaviour. Proceedings of a technical committee meeting

International Nuclear Information System (INIS)

1997-02-01

For the purpose of the meeting water chemistry included the actual practice, the water chemistry monitoring and the on-going research. Corrosion included also hydriding, recent observations made in reactors, modelling and the recent research carried out. Fifty seven participants representing twenty countries attended the thirty formal presentations and the subsequent discussions. The thirty papers presented were split into five sessions covering, Reactor experience, Mechanism and Modelling, Oxidation and hydriding, On-line monitoring of water chemistry and the review of existing and advanced water chemistries. Four panel discussions including ''Corrosion mechanism and Modelling'', ''Corrosion and Hydriding'', ''Plant Experience and Loop Experiments'', Water Chemistry, Current Practice and Emerging Solutions'' and ''On-line Monitoring of Water Chemistry and Corrosion'' were organized. The main points of discussion focussed on the optimization of water chemistry, the compatibility of potassium water chemistry with the utilization of Zircaloy 4 or the utilization of zirconium niobium cladding with lithium water chemistry. The effect of the fabrication route and of the cladding composition (Sn content) on the corrosion kinetics, the state of the art and the correlative gaps in cladding corrosion modelling and the recent developments of on-line monitoring of water chemistry together with examination of suitable developments, were also discussed. Refs, figs, tabs

Influence of water chemistry on fuel cladding behaviour. Proceedings of a technical committee meeting

Energy Technology Data Exchange (ETDEWEB)

NONE

1997-02-01

For the purpose of the meeting water chemistry included the actual practice, the water chemistry monitoring and the on-going research. Corrosion included also hydriding, recent observations made in reactors, modelling and the recent research carried out. Fifty seven participants representing twenty countries attended the thirty formal presentations and the subsequent discussions. The thirty papers presented were split into five sessions covering, Reactor experience, Mechanism and Modelling, Oxidation and hydriding, On-line monitoring of water chemistry and the review of existing and advanced water chemistries. Four panel discussions including ``Corrosion mechanism and Modelling``, ``Corrosion and Hydriding``, ``Plant Experience and Loop Experiments``, Water Chemistry, Current Practice and Emerging Solutions`` and ``On-line Monitoring of Water Chemistry and Corrosion`` were organized. The main points of discussion focussed on the optimization of water chemistry, the compatibility of potassium water chemistry with the utilization of Zircaloy 4 or the utilization of zirconium niobium cladding with lithium water chemistry. The effect of the fabrication route and of the cladding composition (Sn content) on the corrosion kinetics, the state of the art and the correlative gaps in cladding corrosion modelling and the recent developments of on-line monitoring of water chemistry together with examination of suitable developments, were also discussed. Refs, figs, tabs.

Analysis of hide-out return and the composition of the steam generators' combined blowdown under ethanolamine chemistry

International Nuclear Information System (INIS)

Rodriguez Aliciardi, M; Belloni, M; Croatto, F; Ferrari, F; Herrera, C; Mendizabal, M; Montes, J; Saucedo, R; Rodriguez, I; Chocron, M

2012-01-01

Among the techniques recommended for the surveillance of the steam generators (SG's) are (i) the follow-up of the corrosion products in the feed water and blown-down water and the corresponding accumulation mass balance and (ii) the follow-up of the ionic impurities normally present in the main condensate and feed water that can enter in the cycle either through condenser leakages or even with the make-up water. This is, no matter how well the cycle is constructed or the make-up water plant behaves, given the continuous phase change present in the cycle, a concentration equilibrium is established. Moreover, a synergistic effect exists between both, corrosion products and impurities, (i) and (ii), because impurities concentrate in crevices and deposits creating a potentially corrosion risky environment for the SG's tubes. Hide-out return determination consists in the measurement of ions' concentrations, present in the blown-down water which are eluted in the shutdown during the power and temperature reduction. The integrated values allow graphical representations for performing several evaluations like: (i) the performance make-up water plant during a period, (ii) the presence of condenser in-leakages, (iii) the SG's deposits estimation and (iv) the internal chemistry of the SG's liquid phase inside the sludge pile. CNE, a CANDU 6 pressurized heavy-water reactor (PHWR) located in Embalse, Cordoba Province, Argentina, is close to reach the end-of-design-life and a life extension project is currently ongoing. In the plant also the chemistry of the BOP has been modified from a morpholine to an ethanolamine chemistry (Fernandez et. al, NPC'2010, October 3-7, Quebec City, Canada) to enhance protection of SG's internals and new SG's will be installed. Then, it is of interest to set up a hide-out return procedure and analysis of the combined blown-down crud collected during the shut down as a base line for the second period of

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.

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....

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.

Chemistry-nuclear chemistry division. Progress report, October 1979-September 1980

International Nuclear Information System (INIS)

Ryan, R.R.

1981-05-01

This report presents the research and development programs pursued by the Chemistry-Nuclear Chemistry Division of the Los Alamos National Laboratory. Topics covered include advanced analytical methods, atmospheric chemistry and transport, biochemistry, biomedical research, element migration and fixation, inorganic chemistry, isotope separation and analysis, atomic and molecular collisions, molecular spectroscopy, muonic x rays, nuclear cosmochemistry, nuclear structure and reactions, radiochemical separations, theoretical chemistry, and unclassified weapons research

Chemistry-nuclear chemistry division. Progress report, October 1979-September 1980

Energy Technology Data Exchange (ETDEWEB)

Ryan, R.R. (comp.)

1981-05-01

This report presents the research and development programs pursued by the Chemistry-Nuclear Chemistry Division of the Los Alamos National Laboratory. Topics covered include advanced analytical methods, atmospheric chemistry and transport, biochemistry, biomedical research, element migration and fixation, inorganic chemistry, isotope separation and analysis, atomic and molecular collisions, molecular spectroscopy, muonic x rays, nuclear cosmochemistry, nuclear structure and reactions, radiochemical separations, theoretical chemistry, and unclassified weapons research.

Apparatus for ground water chemistry investigations in field caissons

International Nuclear Information System (INIS)

Cokal, E.J.; Stallings, E.; Walker, R.; Nyhan, J.W.; Polzer, W.L.; Essington, E.H.

1985-01-01

Los Alamos is currently in its second season of ground water chemistry and hydrology experimentation in a field facility that incorporates clusters of six, 3-meter-diameter by 6-meter-deep, soil-filled caissons and required ancillaries. Initial experience gained during the 1983 field season indicated the need for further development of the technology of this type of experimentation supporting hydrologic waste management research. Uniform field application of water/matrix solutions to the caisson, matrix and tracer solution blending/storage, and devices for ground water sampling are discussed

The Brazilian medicinal chemistry from 1998 to 2008 in the Journal of Medicinal Chemistry, Bioorganic and Medicinal Chemistry, Bioorganic and Medicinal Chemistry Letters and European Journal of Medicinal Chemistry [A química medicinal brasileira de 1998 a 2008 nos periódicos Journal of Medicinal Chemistry, Bioorganic and Medicinal Chemistry, Bioorganic and Medicinal Chemistry Letters e European Journal of Medicinal Chemistry

OpenAIRE

Bárbara Vasconcellos da Silva; Renato Saldanha Bastos; Angelo da Cunha Pinto

2009-01-01

In this article we present the Brazilian publications, the research groups involved, the contributions per states and the main diseases studied from 1998 to 2008 in the following periodicals: Journal of Medicinal Chemistry, Bioorganic and Medicinal Chemistry, Bioorganic and Medicinal Chemistry Letters and European Journal of Medicinal Chemistry.

Visualization of Problem Solving Related to the Quantitative Composition of Solutions in the Dynamic "GeoGebra" Environment

Science.gov (United States)

Kostic, V. Dj.; Jovanovic, V. P. Stankov; Sekulic, T. M.; Takaci, Dj. B.

2016-01-01

Problem solving in the field of quantitative composition of solutions (QCS), expressed as mass share and molar concentration, is essential for chemistry students. Since successful chemistry education is based on different mathematical contents, it is important to be proficient in both mathematical and chemistry concepts as well as interconnections…

Green Chemistry Techniques for Gold Nanoparticles Synthesis

Science.gov (United States)

Cannavino, Sarah A.; King, Christy A.; Ferrara, Davon W.

Gold nanoparticles (AuNPs) are often utilized in many technological and research applications ranging from the detection of tumors, molecular and biological sensors, and as nanoantennas to probe physical processes. As these applications move from the research laboratory to industrial settings, there is a need to develop efficient and sustainable synthesis techniques. Recent research has shown that several food products and beverages containing polyphenols, a common antioxidant, can be used as reducing agents in the synthesis of AuNPs in solution. In this study, we explore a variety of products to determine which allow for the most reproducible solution of nanoparticles based on the size and shapes of particles present. We analyzed the AuNPs solutions using extinction spectroscopy and atomic force microscopy. We also develop a laboratory activity to introduce introductory chemistry and physics students to AuNP synthesis techniques and analysis.

Radiation chemistry and its applications

International Nuclear Information System (INIS)

1968-01-01

In recent years considerable progress has been made in understanding the fundamental chemical reactions that occur when materials are irradiated. This has followed from the development of new techniques for studying these reactions. The International Atomic Energy Agency held a Panel on Radiation Chemistry in Vienna on 17-21 April 1967, to review the current status of various sources, new techniques in radiation chemistry, and their applications. The main sources mentioned by the Panel were isotope sources, electron accelerators, and chemonuclear reactors. Among the basic techniques discussed were pulsed radiolysis, flash photolysis, fast ESR methods, irradiation at liquid helium temperatures, electric discharge methods and far ultra-violet methods. Interesting industrial applications were discussed, such as the development of wood-plastic combinations, and a paper was given on the curing of paints and thin films Refs, figs and tabs

Extraction of soil solution by drainage centrifugation—effects of centrifugal force and time of centrifugation on soil moisture recovery and solute concentration in soil moisture of loess subsoils

NARCIS (Netherlands)

Fraters, D.; Boom, G.J.F.L.; Boumans, L.J.M.; Weerd, H. de; Wolters, M.

2017-01-01

The solute concentration in the subsoil beneath the root zone is an important parameter for leaching assessment. Drainage centrifugation is considered a simple and straightforward method of determining soil solution chemistry. Although several studies have been carried out to determine whether this

EPR Studies of Spin-Spin Exchange Processes: A Physical Chemistry Experiment.

Science.gov (United States)

Eastman, Michael P.

1982-01-01

Theoretical background, experimental procedures, and analysis of experimental results are provided for an undergraduate physical chemistry experiment on electron paramagnetic resonance (EPR) linewidths. Source of line broadening observed in a spin-spin exchange process between radicals formed in aqueous solutions of potassium peroxylamine…

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.

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.

Some applications of radiation chemistry to biochemistry and radiobiology

International Nuclear Information System (INIS)

Wardman, P.

1987-01-01

In this chapter illustrate the use of radiation chemistry as a tool in investigating biologically important radical reactions, and also outline some studies of models for radiobiological damage. Because aqueous solutions usually offer the most important matrix, an appreciation of the main features of water radiolysis will be essential. Most of the illustrations involve pulse radiolysis, and some familiarity with chemical kinetics is assumed. In addition to these and other chapters in this book, readers find the proceedings of a recent NATO Advanced Study Institute most useful. The authors shall not try to review here all the applications of radiation chemistry to biochemistry and biology, but they will illustrate, using selected examples, the main principles and practical advantages and problems. Another recent volume covers the main contributions of flash photolysis and pulse radiolysis to the chemistry of biology and medicine, complementing earlier reviews. Papers from symposia on radical processes in radiobiology and carcinogenesis, and on super-oxide dismutases, and proceedings of recent international congresses of radiation research, together with the other publications referred to above will enable the reader to gain a comprehensive overview of the role of radicals in biological processes and the contributions of radiation chemistry

Variability in chemistry of surface and soil waters of an ...

African Journals Online (AJOL)

2017-01-01

Jan 1, 2017 ... processing in the Okavango Delta, Botswana. Keotshephile ... 4Climate System Analysis Group, University of Cape Town, South Africa ... input and final fate of solutes is of critical ecological importance ... a wetland system therefore requires an in-depth understanding of the water chemistry of that system.

Understanding `green chemistry' and `sustainability': an example of problem-based learning (PBL)

Science.gov (United States)

Günter, Tuğçe; Akkuzu, Nalan; Alpat, Şenol

2017-10-01

Background: This study uses problem-based learning (PBL) to ensure that students comprehend the significance of green chemistry better by experiencing the stages of identifying the problem, developing hypotheses, and providing solutions within the problem-solving process.

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

A hybrid computational-experimental approach for automated crystal structure solution

Science.gov (United States)

Meredig, Bryce; Wolverton, C.

2013-02-01

Crystal structure solution from diffraction experiments is one of the most fundamental tasks in materials science, chemistry, physics and geology. Unfortunately, numerous factors render this process labour intensive and error prone. Experimental conditions, such as high pressure or structural metastability, often complicate characterization. Furthermore, many materials of great modern interest, such as batteries and hydrogen storage media, contain light elements such as Li and H that only weakly scatter X-rays. Finally, structural refinements generally require significant human input and intuition, as they rely on good initial guesses for the target structure. To address these many challenges, we demonstrate a new hybrid approach, first-principles-assisted structure solution (FPASS), which combines experimental diffraction data, statistical symmetry information and first-principles-based algorithmic optimization to automatically solve crystal structures. We demonstrate the broad utility of FPASS to clarify four important crystal structure debates: the hydrogen storage candidates MgNH and NH3BH3; Li2O2, relevant to Li-air batteries; and high-pressure silane, SiH4.

Stability-indicating liquid Chromatographic assaymethod for Opthalmic solutions containing combination of Dexamethasone and Chloramphenicol

International Nuclear Information System (INIS)

Rao, R.M.; Al-Ashban, R.M.; Shah, A.H.

2004-01-01

A selective high-performance chromatographic procedure for the stability monitoring of ophthalmic solutions containing a combination of dexamethasone and chloramphenicolis demonstrated. The separation of the active components and the degradation product of chloramphenicol (1-amino-1-(4-nitrophenyl)-propane-1, 3diol) was achieved on a u-Bondapack C-18 column ( 5 um, 300 mm x 3.9 mm) maintained at ambient temperature (15-20C) by utilizing a mobile phase consisting acidified water (5% actified water with glacial acetic acid ) : acetonitrile : triethyl amine 700 : 300 : 2and pH was adjusted to 5.0 by using 10 M Na OH. The flow rate was 1.5 ml min-1; and elutes were followed with UV-detection at 254 nm. Complete resolution of dexamethasone, chloramphenicol and its hydrolytic product could be attained. The sensitivity, accuracy and specificity were tested. The method was successfully applied in post-marketing stability of the commercial batches of ophthalmic solutions. (author)

Chemistry between the stars

International Nuclear Information System (INIS)

Kroto, H.W.

1986-01-01

During the past 15 years the techniques used by chemists to determine accurate molecular structures have combined with those of radio astronomers to probe the space between the stars. Together they paint a new picture of interstellar space, a picture which shows that vast clouds of gas and dust are continually collapsing to form stars and planets and that the main constituents of these clouds are molecules, some of which are quite complex organic species. It is now known that many of the organic building blocks, useful in the evolution of biologically significant macromolecules, existed long before the Earth was formed. These findings present a challenge to previous widely-accepted theories that such molecules were first generated in the Earth's primaeval atmosphere. In this paper certain aspects of these discoveries are considered with particular emphasis on the contributions made by techniques of use in general chemistry. After a brief astronomical introduction to the Interstellar Medium (ISM) the interaction between chemistry and radioastronomy is discussed. This is followed by details of some exciting, new and quite unexpected advances in our understanding of carbon chemistry, discovered during experiments aimed at understanding some of the more perplexing radioastronomy results. Finally an overview is given of the present knowledge of the molecular composition of the ISM and the resulting implications in so far as the origins of life are concerned. (author)

Chemistry between the stars

Energy Technology Data Exchange (ETDEWEB)

Kroto, H W

1986-01-01

During the past 15 years the techniques used by chemists to determine accurate molecular structures have combined with those of radio astronomers to probe the space between the stars. Together they paint a new picture of interstellar space, a picture which shows that vast clouds of gas and dust are continually collapsing to form stars and planets and that the main constituents of these clouds are molecules, some of which are quite complex organic species. It is now known that many of the organic building blocks, useful in the evolution of biologically significant macromolecules, existed long before the Earth was formed. These findings present a challenge to previous widely-accepted theories that such molecules were first generated in the Earth's primaeval atmosphere. In this paper certain aspects of these discoveries are considered with particular emphasis on the contributions made by techniques of use in general chemistry. After a brief astronomical introduction to the Interstellar Medium (ISM) the interaction between chemistry and radioastronomy is discussed. This is followed by details of some exciting, new and quite unexpected advances in our understanding of carbon chemistry, discovered during experiments aimed at understanding some of the more perplexing radioastronomy results. Finally an overview is given of the present knowledge of the molecular composition of the ISM and the resulting implications in so far as the origins of life are concerned.

The JAERI and Universities joint project research reports on the 4th joint research project between JAERI and Universities on backend chemistry

Energy Technology Data Exchange (ETDEWEB)

NONE

2003-02-01

In the Joint Research Project between JAERI and Universities on Backend Chemistry, the 4th-term researches of it were performed on sixteen themes from April of 1999 to March of 2001 under the four categories, i.e. Nuclear-chemistry and physical-chemistry properties of actinides', 'Solid state chemistry and nuclear fuel engineering of actinides', 'Solution chemistry and technologies for separation and analysis of actinides' and Treatment of radioactive waste and environmental chemistry'. The present report compiled the papers contributed to the Joint Research Project. (author)

Non-thermally activated chemistry

International Nuclear Information System (INIS)

Stiller, W.

1987-01-01

The subject is covered under the following headings: state-of-the art of non-thermally activated chemical processes; basic phenomena in non-thermal chemistry including mechanochemistry, photochemistry, laser chemistry, electrochemistry, photo-electro chemistry, high-field chemistry, magneto chemistry, plasma chemistry, radiation chemistry, hot-atom chemistry, and positronium and muonium chemistry; elementary processes in non-thermal chemistry including nuclear chemistry, interactions of electromagnetic radiations, electrons and heavy particles with matter, ionic elementary processes, elementary processes with excited species, radicalic elementary processes, and energy-induced elementary processes on surfaces and interfaces; and comparative considerations. An appendix with historical data and a subject index is given. 44 figs., 41 tabs., and 544 refs

Chemistry in CESM-SE: Evaluation, Performance and Optimization

Energy Technology Data Exchange (ETDEWEB)

Lamarque, Jean-Francois [National Center for Atmospheric Research, Boulder, CO (United States); Conley, Andrew [National Center for Atmospheric Research, Boulder, CO (United States); Vitt, Francis [National Center for Atmospheric Research, Boulder, CO (United States); Drake, John [Univ. of Tennessee, Knoxville, TN (United States); Sun, Jian [Univ. of Tennessee, Knoxville, TN (United States)

2016-01-06

The purpose of the proposed work focused on development of chemistry representation within the Spectral Element (SE) dynamical core as implemented in the Community Earth System Model (CESM). More specifically, a main focus was on the ability of SE to accurately represent tracer transport. The proposed approach was to incrementally increase the complexity of the problem, starting from specified two-dimensional flow and tracers to simulations using specified dynamics and full chemistry. As demonstrated below, we have successfully studied all aspects of the proposed work, although only part of the work has been published in the refereed literature so far. Furthermore, because the SE dynamical core has been found to have several deficiencies that are still being investigated for solution, not all proposed tasks were finalized. In addition to the tests for SE performance, in an effort to decrease the computational burden of interactive chemistry, especially in the case of a large number of chemical species and chemical reactions, development on a faster chemical solver and implementation on GPUs has been implemented in CESM under the leadership of John Drake (U. Tennessee).

Green chemistry: A tool in Pharmaceutical Chemistry

OpenAIRE

Smita Talaviya; Falguni Majumdar

2012-01-01

Green chemistry expresses an area of research developing from scientific discoveries about pollution awareness and it utilizes a set of principles that reduces or eliminates the use or generation of hazardous substances in all steps of particular synthesis or process. Chemists and medicinal scientists can greatly reduce the risk to human health and the environment by following all the valuable principles of green chemistry. The most simple and direct way to apply green chemistry in pharmaceut...

Stimulus Responsive Poly(ferrocenylsilanes): Redox Chemistry of Iron in the Main Chain

NARCIS (Netherlands)

Giannotti, M.I.; Lv, H.; Ma, Y.; Steenvoorden, M.P.; Overweg, A.R.; Roerdink, M.; Hempenius, Mark A.; Vancso, Gyula J.

2006-01-01

Redox chemistry of organometallic poly(ferrocenylsilane) polymers (soluble in organic or aqueous environment) is discussed. Poly(ferrocenyldimethylsilane) (PFDMS) was oxidized in CH2Cl2 solution with different oxidants. Oxidation was accomplished with stepwise increasing amounts of ferric chloride

An open, comparative study of 10% potassium hydroxide solution versus salicylic and lactic acid combination in the treatment of molluscum contagiosum in children.

Science.gov (United States)

Köse, Osman; Özmen, İbrahim; Arca, Ercan

2013-08-01

To evaluate and compare the safety and efficacy of 10% potassium hydroxide (KOH) solution and salicylic and lactic acid (SAL + LAC) combination in the treatment of molluscum contagiosum (MC). 26 patients with MC randomized into two treatment groups. 12 patients treated with 10% KOH solution and 14 patients treated with SAL + LAC combination for 6 weeks. Parents of patients were instructed to apply medication once daily only to lesions at study onset. Assessment of response of the treated lesions and side effects was performed at 2, 4 and 6 weeks of the treatment. Newly acquired lesions were not included in the study. At the end of therapy, 83.3% (n = 10) of KOH group demonstrated complete remission and 16.7% (n = 2) of them showed partial remission; four patients (33%) developed new lesions during the study. All the patients in the SAL + LAC combination group (100%) demonstrated complete remission of study entry lesions at the end of 6 weeks with five patients (35%) acquiring new lesions during the study. Minor side effects were observed in two groups. 10% KOH solution and SAL + LAC combination were found to be equally effective in the treatment of MC in children.

Combination of the optical waveguide lightmode spectroscopy method with electrochemical measurements

Energy Technology Data Exchange (ETDEWEB)

Szendro, I.; Erdelyi, K.; Fabian, M. [MicroVacuum Ltd., Kerekgyarto u.: 10, H-1147 Budapest (Hungary); Puskas, Zs. [Minvasive Ltd., Goldmann Gy. ter 3., H-1111 Budapest (Hungary); Adanyi, N. [Central Food Research Institute, H-1537 Budapest, P.O.B. 393 (Hungary); Somogyi, K. [MicroVacuum Ltd., Kerekgyarto u.: 10, H-1147 Budapest (Hungary)], E-mail: karoly.somogyi@microvacuum.com

2008-09-30

Optical waveguides are normally sensitive to the surrounding media and also to the surface contaminations. The effective refractive index changes at the surface. Various sensor systems were developed based on this effect. One of the most sensitive and effective methods is the optical waveguide lightmode spectroscopy (OWLS). At the same time, electrochemical methods are widely used both in inorganic and organic chemistry, and also advantages in microbiology were demonstrated. In this work, efforts are made and results are presented for the combination of these two methods for simultaneous measurement of refractive index and electrical current changes caused by the presence of cells/molecules/ions to be investigated. An electrically conductive indium tin oxide (ITO) nanolayer is deposited and activated on the top of the OWLS planar waveguide oxide layer. ITO layers serve as working electrodes in the electrochemical measurements. The basic setup and an integrated system are demonstrated here. Measurements using H{sub 2}O{sub 2}, toluidine blue solutions, and KCl and TRIS solutions as buffer and transport media are represented. Measurements show both the changes detected by the sensor layer and the effect of the applied potential in cyclic and chrono voltammetric measurements. Results demonstrate an effective combination of optical and electrochemical methods.

Bonding, structure and solid-state chemistry

CERN Document Server

Ladd, Mark

2016-01-01

This book is aimed at undergraduate students in both chemistry and those degree subjects in which chemistry forms a significant part. It does not reflect any particular academic year, and so finds a place during the normal span of degree studies in the physical sciences. An A-level standard in science and mathematics is presumed; additional mathematical treatments are discussed in Appendices. An introductory first chapter leads into the main subject matter, which is treated through four chapters in terms of the principle bonding forces of cohesion in the solid state; a further chapter discusses nanosize materials. Important applications of the study topics are interspersed at appropriate points within the text. Each chapter is provided with a set of problems of varying degrees of difficulty, so as to assist the reader in gaining a facility with the subject matter and its applications. The problems are supplemented by detailed tutorial solutions, some of which present additional relevant material that indicate...

Biocoordination chemistry. pH-metry titration method during study of biometal complexing with bioligands

International Nuclear Information System (INIS)

Dobrynina, N.A.

1992-01-01

Position of bioinorganic chemistry in the system of naturl science, as well as relations between bioinorganic and biocoordination chemistry, were considered. The content of chemical elements in geosphere and biosphere was analyzed. Characteristic features of biometal complexing with bioligands were pointed out. By way of example complex equilibria in solution were studie by the method of pH-metric titration using mathematical simulation. Advantages of the methods totality, when studying biosystems, were emphasized

An ideal teaching program of nuclear chemistry in the undergraduate chemistry curriculum

International Nuclear Information System (INIS)

Uenak, T.

2009-01-01

It is well known that several reports on the common educational problems of nuclear chemistry have been prepared by certain groups of experts from time to time. According to very important statements in these reports, nuclear chemistry and related courses generally do not take sufficient importance in undergraduate chemistry curricula and it was generally proposed that nuclear chemistry and related courses should be introduced into undergraduate chemistry curricula at universities worldwide. Starting from these statements, an ideal program in an undergraduate chemistry curriculum was proposed to be introduced into the undergraduate chemistry program at the Department of Chemistry, Ege University, in Izmir, Turkey during the regular updating of the chemistry curriculum. Thus, it has been believed that this Department of Chemistry has recently gained an ideal teaching program in the field of nuclear chemistry and its applications in scientific, industrial, and medical sectors. In this contribution, the details of this program will be discussed. (author)

Dynamic surface properties of poly(methylalkyldiallylammonium chloride) solutions

Czech Academy of Sciences Publication Activity Database

Novikova, A. A.; Vlasov, P. S.; Lin, S.-Y.; Sedláková, Zdeňka; Noskov, B. A.

2017-01-01

Roč. 80, November (2017), s. 122-127 ISSN 1876-1070 Institutional support: RVO:61389013 Keywords : polymer solutions * dynamic surface tension * dilational surface rheology Subject RIV: CD - Macromolecular Chemistry OBOR OECD: Polymer science Impact factor: 4.217, year: 2016

An Introduction to the Fundamentals of Chemistry for the Marine Engineer - An Audio-Tutorial Correspondence Course (CH-1C).

Science.gov (United States)

Schlenker, Richard M.

This document provides a study guide for a three-credit-hour fundamentals of chemistry course for marine engineer majors. The course is composed of 17 minicourses including: chemical reactions, atomic theory, solutions, corrosion, organic chemistry, water pollution, metric system, and remedial mathematics skills. Course grading, objectives,…

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.

Some Exact Solutions of Boundary Layer Flows along a Vertical Plate with Buoyancy Forces Combined with Lorentz Forces under Uniform Suction

Directory of Open Access Journals (Sweden)

Asterios Pantokratoras

2008-01-01

Full Text Available Exact analytical solutions of boundary layer flows along a vertical porous plate with uniform suction are derived and presented in this paper. The solutions concern the Blasius, Sakiadis, and Blasius-Sakiadis flows with buoyancy forces combined with either MHD Lorentz or EMHD Lorentz forces. In addition, some exact solutions are presented specifically for water in the temperature range of 0∘C≤≤8∘C, where water density is nearly parabolic. Except for their use as benchmarking means for testing the numerical solution of the Navier-Stokes equations, the presented exact solutions with EMHD forces have use in flow separation control in aeronautics and hydronautics, whereas the MHD results have applications in process metallurgy and fusion technology. These analytical solutions are valid for flows with strong suction.

Effect of non-equilibrium flow chemistry and surface catalysis on surface heating to AFE

Science.gov (United States)

Stewart, David A.; Henline, William D.; Chen, Yih-Kanq

1991-01-01

The effect of nonequilibrium flow chemistry on the surface temperature distribution over the forebody heat shield on the Aeroassisted Flight Experiment (AFE) vehicle was investigated using a reacting boundary-layer code. Computations were performed by using boundary-layer-edge properties determined from global iterations between the boundary-layer code and flow field solutions from a viscous shock layer (VSL) and a full Navier-Stokes solution. Surface temperature distribution over the AFE heat shield was calculated for two flight conditions during a nominal AFE trajectory. This study indicates that the surface temperature distribution is sensitive to the nonequilibrium chemistry in the shock layer. Heating distributions over the AFE forebody calculated using nonequilibrium edge properties were similar to values calculated using the VSL program.

Combined radiofrequency ablation and acetic acid-hypertonic saline solution instillation: an in vivo study of rabbit liver

Energy Technology Data Exchange (ETDEWEB)

Lee, Jeong-Min; Han, Joon-Koo; Kim, Se-Hyung; Choi, Byung-Ihn [Seoul National University, Seoul (Korea, Republic of); Kim, Young-Kon; Kim, Sang-Won [Chonbuk National University, Chonju (Korea, Republic of)

2004-03-15

We wanted to determine whether combined radiofrequency ablation (RFA) and acetic acid-hypertonic saline solution (AHS) instillation can increase the extent of thermally mediated coagulation in in vivo rabbit liver tissue. We also wished to determine the optimal concentration of the solution in order to maximize its effect on extent of the RFA-induced coagulation. Forty thermal ablation zones were produced in 40 rabbits by using a 17-gauge internally cooled electrode with a 1-cm active tip under ultrasound guidance. The rabbits were assigned to one of four groups: group A: RFA alone (n=10); group B: RFA with 50% AHS instillation (n=10); group C: RFA with 25% AHS instillation (n=10); group D: RFA with 15% AHS instillation (n=10). A range of acetic acid concentrations diluted in 36% NaCl to a total volume of 2 mL were instilled into the liver before RFA. The RF energy (30W) was applied for three minutes. After RFA, in each group, the maximum diameters to the thermal ablation zones in the gross specimens were compared. Technical success and the complication that arose were evaluated by CT and on the basis of autopsy findings. All procedures are technically successful. There were six procedure-related complications (6/40; 15%); two localized perihepatic hematomas and four chemical peritonitis. The incidence of chemical peritonitis was highest for group B with the 50% AHS solution instillation (30%). With instillation of 15% AHS solution, a marked decrease of tissue impedance (24.5 {+-} 15.6 {omega}) and an increase of current (250 mA) occurred as compared to RFA alone. With instillation of the solutions before RFA (group B, C and D). this produced a greater mean diameter of coagulation necrosis than the diameters for rabbits not instilled with the solution (group A) ({rho}<0.05). However, there was no significant difference between group B, C, and D. Combined AHS instillation and RFA can increase the dimension of coagulation necrosis in the liver with a single

Removal of trace mercury (II) from aqueous solution by in situ MnO(x) combined with poly-aluminum chloride.

Science.gov (United States)

Lu, Xixin; Huangfu, Xiaoliu; Zhang, Xiang; Wang, Yaan; Ma, Jun

2015-06-01

Removal of trace mercury from aqueous solution by Mn (hydr)oxides formed in situ during coagulation with poly-aluminum chloride (PAC) (in situ MnO(x) combined with PAC) was investigated. The efficiency of trace mercury removal was evaluated under the experimental conditions of reaction time, Mn dosage, pH, and temperature. In addition, the ionic strength and the initial mercury concentration were examined to evaluate trace mercury removal for different water qualities. The results clearly demonstrated that in situ MnO(x) combined with PAC was effective for trace mercury removal from aqueous solution. A mercury removal ratio of 9.7 μg Hg/mg Mn was obtained at pH 3. Furthermore, at an initial mercury concentration of 30 μg/L and pH levels of both 3 and 5, a Mn dosage of 4 mg/L was able to lower the mercury concentration to meet the standards for drinking water quality at less than 1 μg/L. Analysis by Fourier transform infrared spectroscopy and X-ray photoelectron spectroscopy suggests that the hydroxyls on the surface of Mn (hydr)oxides are the active sites for adsorption of trace mercury from aqueous solution.

BWR Water Chemistry Guidelines: 1993 Revision, Normal and hydrogen water chemistry

International Nuclear Information System (INIS)

Karlberg, G.; Goddard, C.; Fitzpatrick, S.

1994-02-01

The goal of water chemistry control is to extend the operating life of the reactor and rector coolant system, balance-of-plant components, and turbines while simultaneously controlling costs to safeguard the continued economic viability of the nuclear power generation investment. To further this goal an industry committee of chemistry personnel prepared guidelines to identify the benefits, risks, and costs associated with water chemistry in BWRs and to provide a template for an optimized water chemistry program. This document replaces the BWR Normal Water Chemistry Guidelines - 1986 Revision and the BWR Hydrogen Water Chemistry Guidelines -- 1987 Revision. It expands on the previous guidelines documents by covering the economic implications of BWR water chemistry control

Prediction of protein loop geometries in solution

NARCIS (Netherlands)

Rapp, Chaya S.; Strauss, Temima; Nederveen, Aart; Fuentes, Gloria

2007-01-01

The ability to determine the structure of a protein in solution is a critical tool for structural biology, as proteins in their native state are found in aqueous environments. Using a physical chemistry based prediction protocol, we demonstrate the ability to reproduce protein loop geometries in

Chemistry-Nuclear Chemistry Division. Progress report, October 1980-September 1981

International Nuclear Information System (INIS)

Ryan, R.R.

1982-05-01

This report describes major progress in the research and development programs pursued by the Chemistry-Nuclear Chemistry Division of the Los Alamos National Laboratory during FY 1981. Topics covered include advanced analytical methods, atmospheric chemistry and transport, biochemistry, biomedical research, medical radioisotopes research, element migration and fixation, nuclear waste isolation research, inorganic and structural chemistry, isotope separation, analysis and applications, the newly established Nuclear Magnetic Resonance Center, atomic and molecular collisions, molecular spectroscopy, nuclear cosmochemistry, nuclear structure and reactions, pion charge exchange, radiochemical separations, theoretical chemistry, and unclassified weapons research

Chemistry-Nuclear Chemistry Division. Progress report, October 1980-September 1981

Energy Technology Data Exchange (ETDEWEB)

Ryan, R.R. (comp.)

1982-05-01

This report describes major progress in the research and development programs pursued by the Chemistry-Nuclear Chemistry Division of the Los Alamos National Laboratory during FY 1981. Topics covered include advanced analytical methods, atmospheric chemistry and transport, biochemistry, biomedical research, medical radioisotopes research, element migration and fixation, nuclear waste isolation research, inorganic and structural chemistry, isotope separation, analysis and applications, the newly established Nuclear Magnetic Resonance Center, atomic and molecular collisions, molecular spectroscopy, nuclear cosmochemistry, nuclear structure and reactions, pion charge exchange, radiochemical separations, theoretical chemistry, and unclassified weapons research.

Controlling Chemistry in Dynamic Nanoscale Systems

DEFF Research Database (Denmark)

Jesorka, Aldo; Lizana, Ludvig; Konkoli, Zoran

2011-01-01

Spatial organization and shape dynamics are inherent properties of biological cells and cell interiors. There are strong indications that these features are important for the in vivo control of reaction parameters in biochemical transformations. Nanofluidic model devices founded on surfactant...... of the concept. Controlled release of chol-DNA molecules from SU-8 surfaces gives the possibility to dynamically change surface and/or solution properties in micro and nanoreactor applications, opening access to stable 2D chemistry on surface-based devices with potential for easy interfacing with conventional...

Grain surface chemistry in protoplanetary disks

International Nuclear Information System (INIS)

Reboussin, Laura

2015-01-01

Planetary formation occurs in the protoplanetary disks of gas and dust. Although dust represents only 1% of the total disk mass, it plays a fundamental role in disk chemical evolution since it acts as a catalyst for the formation of molecules. Understanding this chemistry is therefore essential to determine the initial conditions from which planets form. During my thesis, I studied grain-surface chemistry and its impact on the chemical evolution of molecular cloud, initial condition for disk formation, and protoplanetary disk. Thanks to numerical simulations, using the gas-grain code Nautilus, I showed the importance of diffusion reactions and gas-grain interactions for the abundances of gas-phase species. Model results combined with observations also showed the effects of the physical structure (in temperature, density, AV) on the molecular distribution in disks. (author)

Corrosion chemistry closing comments: opportunities in corrosion science facilitated by operando experimental characterization combined with multi-scale computational modelling.

Science.gov (United States)

Scully, John R

2015-01-01

Recent advances in characterization tools, computational capabilities, and theories have created opportunities for advancement in understanding of solid-fluid interfaces at the nanoscale in corroding metallic systems. The Faraday Discussion on Corrosion Chemistry in 2015 highlighted some of the current needs, gaps and opportunities in corrosion science. Themes were organized into several hierarchical categories that provide an organizational framework for corrosion. Opportunities to develop fundamental physical and chemical data which will enable further progress in thermodynamic and kinetic modelling of corrosion were discussed. These will enable new and better understanding of unit processes that govern corrosion at the nanoscale. Additional topics discussed included scales, films and oxides, fluid-surface and molecular-surface interactions, selected topics in corrosion science and engineering as well as corrosion control. Corrosion science and engineering topics included complex alloy dissolution, local corrosion, and modelling of specific corrosion processes that are made up of collections of temporally and spatially varying unit processes such as oxidation, ion transport, and competitive adsorption. Corrosion control and mitigation topics covered some new insights on coatings and inhibitors. Further advances in operando or in situ experimental characterization strategies at the nanoscale combined with computational modelling will enhance progress in the field, especially if coupling across length and time scales can be achieved incorporating the various phenomena encountered in corrosion. Readers are encouraged to not only to use this ad hoc organizational scheme to guide their immersion into the current opportunities in corrosion chemistry, but also to find value in the information presented in their own ways.

Relationships among foliar chemistry, foliar polyamines, and soil chemistry in red spruce trees growing across the northeastern United States

Science.gov (United States)

Minocha, R.; Shortle, W.C.; Lawrence, G.B.; David, M.B.; Minocha, S.C.

1997-01-01

Forest trees are constantly exposed to various types of natural and anthropogenic stressors. A major long-term goal of our research is to develop a set of early physiological and biochemical markers of stress in trees before the appearance of visual symptoms. Six red spruce (Picea rubens Sarg.) stands from the northeastern United States were selected for collection of soil and foliage samples. All of the chosen sites had soil solution pH values below 4.0 in the Oa horizon but varied in their geochemistry. Some of these sites were apparently under some form of environmental stress as indicated by a large number of dead and dying red spruce trees. Samples of soil and needles (from apparently healthy red spruce trees) were collected from these sites four times during a two-year period. The needles were analyzed for perchloric acid-soluble polyamines and exchangeable inorganic ions. Soil and soil solution samples from the Oa and B horizons were analyzed for their exchange chemistry. The data showed a strong positive correlation between Ca and Mg concentrations in the needles and in the Oa horizon of the soil. However, needles from trees growing on relatively Ca-rich soils with a low exchangeable Al concentration and a low Al:Ca soil solution ratio had significantly lower concentrations of putrescine and spermidine than those growing on Ca-poor soils with a high exchangeable Al concentration and a high Al:Ca soil solution in the Oa horizon. The magnitude of this change was several fold higher for putrescine concentrations than for spermidine concentrations. Neither putrescine nor spermidine were correlated with soil solution Ca, Mg, and Al concentrations in the B horizon. The putrescine concentrations of the needles always correlated significantly with exchangeable Al (r2=0.73, p???0.05) and still solution Al:Ca ratios (r2=0.91, p???0.01) of the Oa horizon. This suggests that in conjunction with soil chemistry, putrescine and/or spermidine may be used as a potential

Introduction to Computational Chemistry: Teaching Hu¨ckel Molecular Orbital Theory Using an Excel Workbook for Matrix Diagonalization

Science.gov (United States)

Litofsky, Joshua; Viswanathan, Rama

2015-01-01

Matrix diagonalization, the key technique at the heart of modern computational chemistry for the numerical solution of the Schrödinger equation, can be easily introduced in the physical chemistry curriculum in a pedagogical context using simple Hückel molecular orbital theory for p bonding in molecules. We present details and results of…

Fast solution of elliptic partial differential equations using linear combinations of plane waves.

Science.gov (United States)

Pérez-Jordá, José M

2016-02-01

Given an arbitrary elliptic partial differential equation (PDE), a procedure for obtaining its solution is proposed based on the method of Ritz: the solution is written as a linear combination of plane waves and the coefficients are obtained by variational minimization. The PDE to be solved is cast as a system of linear equations Ax=b, where the matrix A is not sparse, which prevents the straightforward application of standard iterative methods in order to solve it. This sparseness problem can be circumvented by means of a recursive bisection approach based on the fast Fourier transform, which makes it possible to implement fast versions of some stationary iterative methods (such as Gauss-Seidel) consuming O(NlogN) memory and executing an iteration in O(Nlog(2)N) time, N being the number of plane waves used. In a similar way, fast versions of Krylov subspace methods and multigrid methods can also be implemented. These procedures are tested on Poisson's equation expressed in adaptive coordinates. It is found that the best results are obtained with the GMRES method using a multigrid preconditioner with Gauss-Seidel relaxation steps.

Fundamentals of nuclear chemistry

International Nuclear Information System (INIS)

Majer, V.

1982-01-01

The author of the book has had 25 years of experience at the Nuclear Chemistry of Prague Technical University. In consequence, the book is intended as a basic textbook for students of this field. Its main objectives are an easily understandable presentation of the complex subject and in spite of the uncertainty which still characterizes the definition and subjects of nuclear chemistry - a systematic classification and logical structure. Contents: 1. Introduction (history and definition); 2. General nuclear chemistry (physical fundamentals, hot atom chemistry, interaction of nuclear radiation with matter, radioactive elements, isotope effects, isotope exchange, chemistry of radioactive trace elements); 3. Methods of nuclear chemistry of nuclear chemistry (radiochemical methods, activation, separation and enrichment chemistry); 4. Preparative nuclear chemistry (isotope production, labelled compounds); 5. Analytival nuclear chemistry; 6. Applied nuclear chemistry (isotope applications in general physical and analytical chemistry). The book is supplemented by an annex with tables, a name catalogue and a subject index which will facilitate access to important information. (RB) [de

IN-PACKAGE CHEMISTRY ABSTRACTION

Energy Technology Data Exchange (ETDEWEB)

E. Thomas

2005-07-14

This report was developed in accordance with the requirements in ''Technical Work Plan for Postclosure Waste Form Modeling'' (BSC 2005 [DIRS 173246]). The purpose of the in-package chemistry model is to predict the bulk chemistry inside of a breached waste package and to provide simplified expressions of that chemistry as a function of time after breach to Total Systems Performance Assessment for the License Application (TSPA-LA). The scope of this report is to describe the development and validation of the in-package chemistry model. The in-package model is a combination of two models, a batch reactor model, which uses the EQ3/6 geochemistry-modeling tool, and a surface complexation model, which is applied to the results of the batch reactor model. The batch reactor model considers chemical interactions of water with the waste package materials, and the waste form for commercial spent nuclear fuel (CSNF) waste packages and codisposed (CDSP) waste packages containing high-level waste glass (HLWG) and DOE spent fuel. The surface complexation model includes the impact of fluid-surface interactions (i.e., surface complexation) on the resulting fluid composition. The model examines two types of water influx: (1) the condensation of water vapor diffusing into the waste package, and (2) seepage water entering the waste package as a liquid from the drift. (1) Vapor-Influx Case: The condensation of vapor onto the waste package internals is simulated as pure H{sub 2}O and enters at a rate determined by the water vapor pressure for representative temperature and relative humidity conditions. (2) Liquid-Influx Case: The water entering a waste package from the drift is simulated as typical groundwater and enters at a rate determined by the amount of seepage available to flow through openings in a breached waste package.

IN-PACKAGE CHEMISTRY ABSTRACTION

International Nuclear Information System (INIS)

E. Thomas

2005-01-01

This report was developed in accordance with the requirements in ''Technical Work Plan for Postclosure Waste Form Modeling'' (BSC 2005 [DIRS 173246]). The purpose of the in-package chemistry model is to predict the bulk chemistry inside of a breached waste package and to provide simplified expressions of that chemistry as a function of time after breach to Total Systems Performance Assessment for the License Application (TSPA-LA). The scope of this report is to describe the development and validation of the in-package chemistry model. The in-package model is a combination of two models, a batch reactor model, which uses the EQ3/6 geochemistry-modeling tool, and a surface complexation model, which is applied to the results of the batch reactor model. The batch reactor model considers chemical interactions of water with the waste package materials, and the waste form for commercial spent nuclear fuel (CSNF) waste packages and codisposed (CDSP) waste packages containing high-level waste glass (HLWG) and DOE spent fuel. The surface complexation model includes the impact of fluid-surface interactions (i.e., surface complexation) on the resulting fluid composition. The model examines two types of water influx: (1) the condensation of water vapor diffusing into the waste package, and (2) seepage water entering the waste package as a liquid from the drift. (1) Vapor-Influx Case: The condensation of vapor onto the waste package internals is simulated as pure H 2 O and enters at a rate determined by the water vapor pressure for representative temperature and relative humidity conditions. (2) Liquid-Influx Case: The water entering a waste package from the drift is simulated as typical groundwater and enters at a rate determined by the amount of seepage available to flow through openings in a breached waste package

Scientific Information Analysis of Chemistry Dissertations Using Thesaurus of Chemistry

Directory of Open Access Journals (Sweden)

Taghi Rajabi

2017-09-01

Full Text Available : Concept maps of chemistry can be obtained from thesaurus of chemistry. Analysis of information in the field of chemistry is done at graduate level, based on comparing and analyzing chemistry dissertations by using these maps. Therefore, the use of thesaurus for analyzing scientific information is recommended. Major advantage of using this method, is that it is possible to obtain a detailed map of all academic researches across all branches of science. The researches analysis results in chemical science can play a key role in developing strategic research policies, educational programming, linking universities to industries and postgraduate educational programming. This paper will first introduce the concept maps of chemistry. Then, emerging patterns from the concept maps of chemistry will be used to analyze the trend in the academic dissertations in chemistry, using the data collected and stored in our database at Iranian Research Institute for Information Science and Technology (IranDoc over the past 10 years (1998-2009.

Kerr generalized solution

International Nuclear Information System (INIS)

Papoyan, V.V.

1989-01-01

A Kerr generalized solution for a stationary axially-symmetric gravitational field of rotating self-gravitational objects is given. For solving the problem Einstein equations and their combinations are used. The particular cases: internal and external Schwarzschild solutions are considered. The external solution of the stationary problem is a Kerr solution generalization. 3 refs

13th AINSE radiation chemistry conference, 12-14 November 1986, Lucas Heights - AINSE Theatre

International Nuclear Information System (INIS)

1986-01-01

Abstracts of papers are given which cover the fields of radiolysis in aqueous solutions, solids and gases, radiation polymerisation and degradation, excitation in solids and gases, and industrial applications of radiation chemistry

Chemistry in power plants 2011

International Nuclear Information System (INIS)

2011-01-01

Within the VGB Powertech conference from 25th to 27th October, 2011, in Munich (Federal Republic of Germany), the following lectures and poster contributions were presented: (1) The revised VGB standard for water-steam-cycle Chemistry; (2) Switchover from neutral operation to oxygen treatment at the power station Stuttgart-Muenster of EnBW Kraftwerke AG; (3) Steam contamination with degradation products of organic matters present in the feedwater of the Lanxess-Rubber cogeneration plant; (4) Laboratory scale on-line noble metal deposition experiments simulating BWR plant conditions; (5) Building a new demin installation for the power plant EPZ in Borssele; (6) Replacement of the cooling tower installations in the nuclear power plant Goesgen-Daenien AG; (7) Aging of IEX resins in demin plants - Cost optimisation by adaptation of regenerants; (8) The largest DOW trademark EDI System at a combined cycled plant in Europe; (9) Upgrading river Main water to boiler feed water - Experiences with ultrafiltration; (10) Experiences with treatment of the water-steam-cycle in the RDF power plant Nehlsen Stavenhagen with film-forming amines; (11) Comparative modelling of the bubbles thermal collapse and cavitations for estimation of bubbles collapse influence; (12) Overcoming the steam quality - issues from an HRSG for the production of process steam; (13) Legionella - new requirements for power plant operation; (14) How the right chemistry in the FGD helps to improve the removal in the waste water treatment plant; (15) High efficiency filtration in dry/semi-dry FGD plants; (16) Expanding the variety of renewable fuels in the biomass power plant Timelkam using the chemical input control; (17) Corrosion, operating experiences and process improvements to increase the availability and operating time of the biomass power plant Timelkam; (18) The influence of temperature on the measurement of the conductivity of highly diluted solutions; (19) A multiparameter instrumentation approach

Combining crystallography and EPR: crystal and solution structures of the multidomain cochaperone DnaJ

Energy Technology Data Exchange (ETDEWEB)

Barends, Thomas R. M., E-mail: thomas.barends@mpimf-heidelberg.mpg.de [MPI for Medical Research, Heidelberg (Germany); Brosi, Richard W. W. [Freie Universitat Berlin, Berlin (Germany); Steinmetz, Andrea; Scherer, Anna; Hartmann, Elisabeth; Eschenbach, Jessica; Lorenz, Thorsten [MPI for Medical Research, Heidelberg (Germany); Seidel, Ralf [MPI for Molecular Physiology, Dortmund (Germany); Shoeman, Robert L.; Zimmermann, Sabine [MPI for Medical Research, Heidelberg (Germany); Bittl, Robert [Freie Universitat Berlin, Berlin (Germany); Schlichting, Ilme; Reinstein, Jochen [MPI for Medical Research, Heidelberg (Germany)

2013-08-01

The crystal structure of the N-terminal part of T. thermophilus DnaJ unexpectedly showed an ordered GF domain and guided the design of a construct enabling the first structure determination of a complete DnaJ cochaperone molecule. By combining the crystal structures with spin-labelling EPR and cross-linking in solution, a dynamic view of this flexible molecule was developed. Hsp70 chaperones assist in a large variety of protein-folding processes in the cell. Crucial for these activities is the regulation of Hsp70 by Hsp40 cochaperones. DnaJ, the bacterial homologue of Hsp40, stimulates ATP hydrolysis by DnaK (Hsp70) and thus mediates capture of substrate protein, but is also known to possess chaperone activity of its own. The first structure of a complete functional dimeric DnaJ was determined and the mobility of its individual domains in solution was investigated. Crystal structures of the complete molecular cochaperone DnaJ from Thermus thermophilus comprising the J, GF and C-terminal domains and of the J and GF domains alone showed an ordered GF domain interacting with the J domain. Structure-based EPR spin-labelling studies as well as cross-linking results showed the existence of multiple states of DnaJ in solution with different arrangements of the various domains, which has implications for the function of DnaJ.

An Insight into Flotation Chemistry of Pyrite with Isomeric Xanthates: A Combined Experimental and Computational Study

Directory of Open Access Journals (Sweden)

Guihong Han

2018-04-01

Full Text Available The flotation chemistry between pyrite and isomeric xanthates (butyl xanthate and isobutyl xanthate was investigated by means of adsorption experiments, surface tension tests, and molecular dynamic simulations in this work. The flotation chemical results were confirmed and further interpreted by quantum chemical calculations. The experiment results demonstrated that the isobutyl xanthate exhibited superior adsorption capacity and surface activity than those of butyl xanthate in flotation chemistry. In addition, molecular dynamic simulations were simultaneously performed in constant number, constant volume and temperature (NVT, and constant number, constant volume, and pressure (NPT ensemble, indicating that the NPT ensemble was more suitable to the flotation system and the isobutyl xanthate was easier to be adsorbed on pyrite surface compared with butyl xanthate during an appropriate range of concentrations. Furthermore, the quantum chemical calculations elucidated that the isobutyl xanthate presented higher reactivity than that of the corresponding butyl xanthate based on the frontier molecular orbital theory of chemical reactivity, which was consistent with experimental and simulation results obtained. This work can provide theoretical guidance for an in-depth study of the flotation chemistry of pyrite with isomeric xanthates.

Progress report, Chemistry and Materials Division

International Nuclear Information System (INIS)

1982-02-01

A marked asymmetry has been observed in the intensity of ions scattered from manganese atoms in a Mn-Al alloy as a function of incidence angle, under near-axial channeling conditions. Proton dechanneling has been used to discriminate between simple and cluster defects created by He-ion irradiation of an Al-Ag alloy crystal. An automated Langmuir surface has been constructed for study of the radiation chemistry of polyunsaturated compounds organized in molecular films. New information about reactions of nitric oxide (NO) has been obtained which suggests that the reaction of NO with O 2 in the gas phase is also an important reaction in the radiation chemistry of oxygenated nitrate and nitrite solutions. Development work on an ion-selective electrode for the determination of boron has been completed. Recent studies have resulted in improvements to the mass spectrometric determination of thorium, uranium and plutonium. Good agreement between the results of the determinations of atom percent fission by a stable isotope dilution Nd-148 and a uranium isotope ratio method was observed. Examination of a large number of iodine-induced crack initiation sites formed under conditions where the hydrides are in solution has shown no evidence for the involvement of any second phase particles, or any local segregation of impurities or alloying elements. Reproducible improvement in the purity of zirconium has been achieved by the electrotransport method. Doppler broadening studies of positron annihilation in electron irradiated Zr and Ti have been completed

Efficacy and Safety of Minoxidil 2% Solution in Combination With a Botanical Hair Solution in Women With Female Pattern Hair Loss/Androgenic Alopecia.

Science.gov (United States)

McMichael, Amy; Pham, Hanh; von Grote, Erika; Meckfessel, Matthew H

2016-04-01

Female pattern hair loss (FPHL), also known as female androgenic alopecia, affects over 21 million women in the United States with devastating effects on self-esteem and psychosocial functioning. Topical minoxidil 2% and 5% formulations are the only US Food and Drug Administration-approved treatments for FPHL. The length of time it typically takes to observe the benefits is a challenge for many patients, and may affect adherence to treatment. Herbal extracts, which are also believed to promote healthier-looking hair, have a long history of use in hair care formulations. The safety and efficacy of a twice-daily regimen of 2% minoxidil solution used in combination with the botanical hair solution for 12 weeks in 54 subjects was evaluated in a multicenter, single-arm, open-label study. Assessments included investigator and subject ratings of improvement and subject satisfaction. Investigator ratings indicated significant improvement in hair growth and overall treatment benefits in as early as 6 weeks (Pminoxidil treatment adherence.

Exploring Dominant Types of Explanations Built by General Chemistry Students

Science.gov (United States)

Talanquer, Vicente

2010-01-01

The central goal of our study was to explore the nature of the explanations generated by science and engineering majors with basic training in chemistry to account for the colligative properties of solutions. The work was motivated by our broader interest in the characterisation of the dominant types of explanations that science college students…

Flow Chemistry on Multigram Scale: Continuous Synthesis of Boronic Acids within 1 s.

Science.gov (United States)

Hafner, Andreas; Meisenbach, Mark; Sedelmeier, Joerg

2016-08-05

The benefits and limitations of a simple continuous flow setup for handling and performing of organolithium chemistry on the multigram scale is described. The developed metalation platform embodies a valuable complement to existing methodologies, as it combines the benefits of Flash Chemistry (chemical synthesis on a time scale of <1 s) with remarkable throughput (g/min) while mitigating the risk of blockages.

Self-assembly in casting solutions of block copolymer membranes

KAUST Repository

Marques, Debora S.; Vainio, Ulla; Moreno Chaparro, Nicolas; Calo, Victor M.; Bezahd, Ali Reza; Pitera, Jed W.; Peinemann, Klaus; Nunes, Suzana Pereira

2013-01-01

Membranes with exceptional pore regularity and high porosity were obtained from block copolymer solutions. We demonstrate by small-angle X-ray scattering that the order which gives rise to the pore morphology is already incipient in the casting solution. Hexagonal order was confirmed in PS-b-P4VP 175k-b-65k solutions in DMF/THF/dioxane with concentrations as high as 24 wt%, while lamellar structures were obtained in more concentrated solutions in DMF or DMF/dioxane. The change in order has been understood with the support of dissipative particle dynamic modeling. © 2013 The Royal Society of Chemistry.

Low temperature surface chemistry and nanostructures

Science.gov (United States)

Sergeev, G. B.; Shabatina, T. I.

2002-03-01

The new scientific field of low temperature surface chemistry, which combines the low temperature chemistry (cryochemistry) and surface chemistry approaches, is reviewed in this paper. One of the most exciting achievements in this field of science is the development of methods to create highly ordered hybrid nanosized structures on different organic and inorganic surfaces and to encapsulate nanosized metal particles in organic and polymer matrices. We consider physical and chemical behaviour for the systems obtained by co-condensation of the components vapours on the surfaces cooled down to 4-10 and 70-100 K. In particular the size effect of both types, the number of atoms in the reactive species structure and the thickness of growing co-condensate film, on the chemical activity of the system is analysed in detail. The effect of the internal mechanical stresses on the growing interfacial co-condensate film formation and on the generation of fast (explosive) spontaneous reactions at low temperatures is discussed. The examples of unusual chemical interactions of metal atoms, clusters and nanosized particles, obtained in co-condensate films on the cooled surfaces under different conditions, are presented. The examples of highly ordered surface and volume hybrid nanostructures formation are analysed.

Collaborative Research: Atmospheric Pressure Microplasma Chemistry-Photon Synergies Final Report

Energy Technology Data Exchange (ETDEWEB)

Graves, David [Univ. of California, Berkeley, CA (United States)

2017-02-07

Combining the effects of low temperature, atmospheric pressure microplasmas and microplasma photon sources shows greatly expanded range of applications of each of them. The plasma sources create active chemical species and these can be activated further by addition of photons and associated photochemistry. There are many ways to combine the effects of plasma chemistry and photochemistry, especially if there are multiple phases present. The project combines construction of appropriate test experimental systems, various spectroscopic diagnostics and mathematical modeling.

Review of information on the radiation chemistry of materials around waste canisters in salt and assessment of the need for additional experimental information

Energy Technology Data Exchange (ETDEWEB)

Jenks, G.H.; Baes, C.F. Jr.

1980-03-01

The brines, vapors, and salts precipitated from the brines will be exposed to gamma rays and to elevated temperatures in the regions close to a waste package in the salt. Accordingly, they will be subject to changes in composition brought about by reactions induced by the radiations and heat. This report reviews the status of information on the radiation chemistry of brines, gases, and solids which might be present around a waste package in salt and to assess the need for additional laboratory investigations on the radiation chemistry of these materials. The basic aspects of the radiation chemistry of water and aqueous solutions, including concentrated salt solutions, were reviewed briefly and found to be substantially unchanged from those presented in Jenks's 1972 review of radiolysis and hydrolysis in salt-mine brines. Some additional information pertaining to the radiolytic yields and reactions in brine solutions has become available since the previous review, and this information will be useful in the eventual, complete elucidation of the radiation chemistry of the salt-mine brines. 53 references.

Atmospheric Boundary Layer, Integrating Air Chemistry and Land Interactions

NARCIS (Netherlands)

Vilà-Guerau De Arellano, J.; Heerwaarden, van C.C.; Stratum, van B.J.H.; Dries, van den C.L.A.M.

2015-01-01

This textbook provides an introduction to the interactions between the atmosphere and the land for advanced undergraduate and graduate students and a reference text for researchers in atmospheric physics and chemistry, hydrology, and plant physiology. The combination of the book, which provides the

Analysis of Copper-Bearing Rocks and Minerals for Their Metal Content Using Visible Spectroscopy: A First Year Chemistry Laboratory Exploration

Science.gov (United States)

Bopegedera, A. M. R. P.

2016-01-01

General chemistry and introductory chemistry students were presented with a laboratory exploration for the determination of the mass percent of copper in rock and mineral samples. They worked independently in the laboratory, which involved multiple lab (pipetting, preparing standard solutions by quantitative dilution, recording visible spectra…

Exploration of fluorine chemistry at the multidisciplinary interface of chemistry and biology.

Science.gov (United States)

Ojima, Iwao

2013-07-05

Over the last three decades, my engagement in "fluorine chemistry" has evolved substantially because of the multidisciplinary nature of the research programs. I began my research career as a synthetic chemist in organometallic chemistry and homogeneous catalysis directed toward organic synthesis. Then, I was brought into a very unique world of "fluorine chemistry" in the end of 1970s. I started exploring the interface of fluorine chemistry and transition metal homogeneous catalysis first, which was followed by amino acids, peptides, and peptidomimetics for medicinal chemistry. Since then, I have been exploring the interfaces of fluorine chemistry and multidisciplinary fields of research involving medicinal chemistry, chemical biology, cancer biology, and molecular imaging. This perspective intends to cover my fruitful endeavor in the exploration of fluorine chemistry at the multidisciplinary interface of chemistry and biology in a chronological order to show the evolution of my research interest and strategy.

Low temperature nitrogen chemistry. Final report

Energy Technology Data Exchange (ETDEWEB)

Glarborg, P.; Dam-Johansen, K.; Kristensen, P.G.; Alzueta, M.; Roejel, H.

1997-04-01

The results of a two tasks program on Natural Gas Reburning are reported. The work involved an experimental and theoretical study of the reburning and hybrid reburning/SNCR chemistry in the 1000-1500 K range. The interactions between hydrocarbon and nitrogen chemistry under fuel-rich conditions were investigated in order to assess the NO{sub x} reduction potential of low temperature reburning. The effect of reburn fuel(carbon monoxide, methane, acetylene, ethylene, ethane, and methane/ethane mixture), temperature, stoichiometry, reactant dilution, reaction time, and inlet NO level were studied. The results indicate a significant NO reduction potential even below 1400 K, but extrapolation to practical conditions are complicated by inadequate knowledge of the detailed chemistry as well as of the effect of mixing. The possibilities of enhancing the conversion to N{sub 2} instead of NO by adding selective reducing agents (hybrid reburning/SNCR) were evaluated. Our results indicate little synergistic effect between reburn and SNCR. The most simple configuration, where the selective reducing agent is injected together with the burnout air, is not expected to be effective, unless the N-agent is injected in form of an aqueous solution. A chemical kinetic model for reburning and reburn/SNCR is listed and can be obtained by e-mail from pgl(commerical at)kt.dtu.dk.(au) 145 refs.

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

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.)

New design architecture decisions on water chemistry support systems at new VVER plants

International Nuclear Information System (INIS)

Kumanina, V.E.; Yurmanova, A.V.

2010-01-01

Major goals of nuclear power plant design upgrading are reduction of cost and construction time with unconditional safety assurance. Main ways of further improvement of nuclear power plant design are as follows: review of the results of research engineering and development and of new technologies; harmonization with international codes and standards; justified liberalization of conservatism based on operating experience and use of improved design codes. Operational experience of Russian and foreign NPPs has shown that the designs of new NPPs could be improved by upgrading water chemistry support systems. Some new design solutions for water chemistry support systems are currently implemented at new WWER plants such as Bushehr, Kudankulam, Belene, Balakovo Units 5 and 6, AES-2006 project. The paper highlights the improvements of the following systems and processes: low temperature high pressure primary coolant clean-up system; primary system surface preconditioning during pre-start hot functional testing; steam generator blowdown cleanup system; secondary water chemistry; phosphate water chemistry in intermediate cooling circuits and other auxiliary systems; alternator cooling system water chemistry; steam generator cleanup and decontamination systems. (author)

Corrosion under stress of AISI 304 steel in thiocyanate solutions

International Nuclear Information System (INIS)

Perillo, P.M.; Duffo, G.S.

1989-01-01

Corrosion susceptibility under stress of AISI 304 steel sensitized in a sodium thiocyanate solution has been studied and results were compared with those obtained with solutions of thiosulfate and tetrathionate. Sensitized steel type 304 is highly susceptible to corrosion when under intergranular stress (IGSCC) in thiocyanate solutions but the aggressiveness of this anion is less than that of the other sulphur anions studied (thiosulfate and tetrathionate). This work has been partly carried out in the Chemistry Department. (Author) [es

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

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

Uncertainty estimation and ensemble forecast with a chemistry-transport model - Application to air-quality modeling and simulation

International Nuclear Information System (INIS)

Mallet, Vivien

2005-01-01

The thesis deals with the evaluation of a chemistry-transport model, not primarily with classical comparisons to observations, but through the estimation of its a priori uncertainties due to input data, model formulation and numerical approximations. These three uncertainty sources are studied respectively on the basis of Monte Carlos simulations, multi-models simulations and numerical schemes inter-comparisons. A high uncertainty is found, in output ozone concentrations. In order to overtake the limitations due to the uncertainty, a solution is ensemble forecast. Through combinations of several models (up to forty-eight models) on the basis of past observations, the forecast can be significantly improved. The achievement of this work has also led to develop the innovative modelling-system Polyphemus. (author) [fr

Analytical Chemistry as Methodology in Modern Pure and Applied Chemistry

OpenAIRE

Honjo, Takaharu

2001-01-01

Analytical chemistry is an indispensable methodology in pure and applied chemistry, which is often compared to a foundation stone of architecture. In the home page of jsac, it is said that analytical chemistry is a learning of basic science, which treats the development of method in order to get usefull chemical information of materials by means of detection, separation, and characterization. Analytical chemistry has recently developed into analytical sciences, which treats not only analysis ...

Using an innovative combination of quality-by-design and green analytical chemistry approaches for the development of a stability indicating UHPLC method in pharmaceutical products.

Science.gov (United States)

Boussès, Christine; Ferey, Ludivine; Vedrines, Elodie; Gaudin, Karen

2015-11-10

An innovative combination of green chemistry and quality by design (QbD) approach is presented through the development of an UHPLC method for the analysis of the main degradation products of dextromethorphan hydrobromide. QbD strategy was integrated to the field of green analytical chemistry to improve method understanding while assuring quality and minimizing environmental impacts, and analyst exposure. This analytical method was thoroughly evaluated by applying risk assessment and multivariate analysis tools. After a scouting phase aimed at selecting a suitable stationary phase and an organic solvent in accordance with green chemistry principles, quality risk assessment tools were applied to determine the critical process parameters (CPPs). The effects of the CPPs on critical quality attributes (CQAs), i.e., resolutions, efficiencies, and solvent consumption were further evaluated by means of a screening design. A response surface methodology was then carried out to model CQAs as function of the selected CPPs and the optimal separation conditions were determined through a desirability analysis. Resulting contour plots enabled to establish the design space (DS) (method operable design region) where all CQAs fulfilled the requirements. An experimental validation of the DS proved that quality within the DS was guaranteed; therefore no more robustness study was required before the validation. Finally, this UHPLC method was validated using the concept of total error and was used to analyze a pharmaceutical drug product. Copyright © 2015 Elsevier B.V. All rights reserved.

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

Surface chemistry essentials

CERN Document Server

Birdi, K S

2013-01-01

Surface chemistry plays an important role in everyday life, as the basis for many phenomena as well as technological applications. Common examples range from soap bubbles, foam, and raindrops to cosmetics, paint, adhesives, and pharmaceuticals. Additional areas that rely on surface chemistry include modern nanotechnology, medical diagnostics, and drug delivery. There is extensive literature on this subject, but most chemistry books only devote one or two chapters to it. Surface Chemistry Essentials fills a need for a reference that brings together the fundamental aspects of surface chemistry w

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)

Solving vertical transport and chemistry in air pollution models

International Nuclear Information System (INIS)

Berkvens, P.J.F.; Botchev, M.A.; Verwer, J.G.; Krol, M.C.; Peters, W.

2000-01-01

For the time integration of stiff transport-chemistry problems from air pollution modelling, standard ODE solvers are not feasible due to the large number of species and the 3D nature. The popular alternative, standard operator splitting, introduces artificial transients for short-lived species. This complicates the chemistry solution, easily causing large errors for such species. In the framework of an operational global air pollution model, we focus on the problem formed by chemistry and vertical transport, which is based on diffusion, cloud-related vertical winds, and wet deposition. Its specific nature leads to full Jacobian matrices, ruling out standard implicit integration. We compare Strang operator splitting with two alternatives: source splitting and an (unsplit) Rosenbrock method with approximate matrix factorization, all having equal computational cost. The comparison is performed with real data. All methods are applied with half-hour time steps, and give good accuracies. Rosenbrock is the most accurate, and source splitting is more accurate than Strang splitting. Splitting errors concentrate in short-lived species sensitive to solar radiation and species with strong emissions and depositions. 30 refs

Quantum chemistry simulation on quantum computers: theories and experiments.

Science.gov (United States)

Lu, Dawei; Xu, Boruo; Xu, Nanyang; Li, Zhaokai; Chen, Hongwei; Peng, Xinhua; Xu, Ruixue; Du, Jiangfeng

2012-07-14

It has been claimed that quantum computers can mimic quantum systems efficiently in the polynomial scale. Traditionally, those simulations are carried out numerically on classical computers, which are inevitably confronted with the exponential growth of required resources, with the increasing size of quantum systems. Quantum computers avoid this problem, and thus provide a possible solution for large quantum systems. In this paper, we first discuss the ideas of quantum simulation, the background of quantum simulators, their categories, and the development in both theories and experiments. We then present a brief introduction to quantum chemistry evaluated via classical computers followed by typical procedures of quantum simulation towards quantum chemistry. Reviewed are not only theoretical proposals but also proof-of-principle experimental implementations, via a small quantum computer, which include the evaluation of the static molecular eigenenergy and the simulation of chemical reaction dynamics. Although the experimental development is still behind the theory, we give prospects and suggestions for future experiments. We anticipate that in the near future quantum simulation will become a powerful tool for quantum chemistry over classical computations.

Solution standards for quality control of nuclear-material analytical measurements

International Nuclear Information System (INIS)

Clark, J.P.

1981-01-01

Analytical chemistry measurement control depends upon reliable solution standards. At the Savannah River Plant Control Laboratory over a thousand analytical measurements are made daily for process control, product specification, accountability, and nuclear safety. Large quantities of solution standards are required for a measurement quality control program covering the many different analytical chemistry methods. Savannah River Plant produced uranium, plutonium, neptunium, and americium metals or oxides are dissolved to prepare stock solutions for working or Quality Control Standards (QCS). Because extensive analytical effort is required to characterize or confirm these solutions, they are prepared in large quantities. These stock solutions are diluted and blended with different chemicals and/or each other to synthesize QCS that match the matrices of different process streams. The target uncertainty of a standard's reference value is 10% of the limit of error of the methods used for routine measurements. Standard Reference Materials from NBS are used according to special procedures to calibrate the methods used in measuring the uranium and plutonium standards so traceability can be established. Special precautions are required to minimize the effects of temperature, radiolysis, and evaporation. Standard reference values are periodically corrected to eliminate systematic errors caused by evaporation or decay products. Measurement control is achieved by requiring analysts to analyze a blind QCS each shift a measurement system is used on plant samples. Computer evaluation determines whether or not a measurement is within the +- 3 sigma control limits. Monthly evaluations of the QCS measurements are made to determine current bias correction factors for accountability measurements and detect significant changes in the bias and precision statistics. The evaluations are also used to plan activities for improving the reliability of the analytical chemistry measurements

Chemistry of Technetium

International Nuclear Information System (INIS)

Omori, Takashi

2001-01-01

Since the late 1970's the coordination chemistry of technetium has been developed remarkably. The background of the development is obviously related to the use of technetium radiopharmaceuticals for diagnosis in nuclear medicine. Much attention has also been denoted to the chemical behavior of environmental 99 Tc released from reprocessing plants. This review covers the several aspects of technetium chemistry, including production of radioisotopes, analytical chemistry and coordination chemistry. In the analytical chemistry, separation of technetium, emphasizing chromatography and solvent extraction, is described together with spectrophotometric determination of technetium. In the coordination chemistry of technetium, a characteristic feature of the chemistry of Tc(V) complexes is referred from the view point of the formation of a wide variety of highly stable complexes containing the Tc=O or Tc≡N bond. Kinetic studies of the preparation of Tc(III) complexes using hexakis (thiourea) technetium(III) ion as a starting material are summarized, together with the base hydrolysis reactions of Tc(III), Tc(IV) and Tc(V) complexes. (author)

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)

Connecting Acids and Bases with Encapsulation... and Chemistry with Nanotechnology

Science.gov (United States)

Criswell, Brett

2007-01-01

The features and the development of various new acids and bases activity sets that combines chemistry with nanotechnology are being described. These sets lead to the generation of many nanotechnology-based pharmaceuticals for the treatment of various diseases.

PEGylation of carbon nanotubes via mussel inspired chemistry: Preparation, characterization and biocompatibility evaluation

Energy Technology Data Exchange (ETDEWEB)

Zhang, Xiaoyong; Zeng, Guangjian; Tian, Jianwen; Wan, Qing; Huang, Qiang [Department of Chemistry, Nanchang University, 999 Xuefu Avenue, Nanchang 330031 (China); Wang, Ke; Zhang, Qingsong [Department of Chemistry and the Tsinghua Center for Frontier Polymer Research, Tsinghua University, Beijing 100084 (China); Liu, Meiying; Deng, Fengjie [Department of Chemistry, Nanchang University, 999 Xuefu Avenue, Nanchang 330031 (China); Wei, Yen, E-mail: xiaoyongzhang1980@gmail.com [Department of Chemistry and the Tsinghua Center for Frontier Polymer Research, Tsinghua University, Beijing 100084 (China)

2015-10-01

Graphical abstract: Water dispersible and biocompatible PEGylated carbon nanotubes were prepared via a novel mussel inspired strategy for the first time. - Highlights: • Surface modification of CNTs via bioinspired chemistry. • CNTs with high water dispersibility and excellent biocompatibility. • PEGytion of CNTs via Michael addition reaction. • Preparation of aminated PEG molecules via chain transfer polymerization. - Abstract: A novel strategy for surface modification of multi-walled carbon nanotubes (MWCNT) was developed via combination of mussel inspired chemistry and Michael addition reaction. In this procedure, pristine MWCNT were first coated with polydopamine (PDA) through self polymerization of dopamine. The PDA functionalized CNT (CNT-PDA) were further functionalized with amino-terminated polymers (polyPEGMA), which were synthesized via free radical polymerization using cysteamine hydrochloride as the chain transfer agent and poly(ethylene glycol) monomethyl ether methacylate as the monomer. The successful modification of CNT was ascertained by a series of characterization techniques including transmission electron microscopy, Fourier transform infrared spectroscopy, thermal gravimetric analysis and X-ray photoelectron spectrometry. The polymer modified CNT showed enhanced dispersibility in aqueous and organic solution. Cytotoxicity evaluation of polymers modified CNT showed that these modified CNT are biocompatible with cells. Finally, due to the universal adhesive of PDA and chain transfer free radical polymerization, this strategy developed in this work can also be extended for surface modification of many other nanomaterials with different functional polymers.

Chemistry control at Bruce NGS 'B' from constructed to commercial operation

International Nuclear Information System (INIS)

Roberts, J.G.

1987-01-01

Pre-operational storage chemistry and flushing of the secondary side is described. The approach devised for Bruce NGS 'B' Unit 6 was unique for an Ontario Hydro Nuclear Unit. The significance of the improved Construction installation and Quality Assurance procedures, combined with those of Operations is identified. Secondary side chemistry during both commissioning and later operation is reported. It will be shown that the application of ALARA (As Low As is Reasonably Achievable) concept has resulted in tighter chemical specifications being met

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.

A Combined MPI-CUDA Parallel Solution of Linear and Nonlinear Poisson-Boltzmann Equation

Directory of Open Access Journals (Sweden)

José Colmenares

2014-01-01

Full Text Available The Poisson-Boltzmann equation models the electrostatic potential generated by fixed charges on a polarizable solute immersed in an ionic solution. This approach is often used in computational structural biology to estimate the electrostatic energetic component of the assembly of molecular biological systems. In the last decades, the amount of data concerning proteins and other biological macromolecules has remarkably increased. To fruitfully exploit these data, a huge computational power is needed as well as software tools capable of exploiting it. It is therefore necessary to move towards high performance computing and to develop proper parallel implementations of already existing and of novel algorithms. Nowadays, workstations can provide an amazing computational power: up to 10 TFLOPS on a single machine equipped with multiple CPUs and accelerators such as Intel Xeon Phi or GPU devices. The actual obstacle to the full exploitation of modern heterogeneous resources is efficient parallel coding and porting of software on such architectures. In this paper, we propose the implementation of a full Poisson-Boltzmann solver based on a finite-difference scheme using different and combined parallel schemes and in particular a mixed MPI-CUDA implementation. Results show great speedups when using the two schemes, achieving an 18.9x speedup using three GPUs.

Physical Chemistry '98: Fourth International Conference on Fundamental and Applied Aspects of Physical Chemistry - Papers

International Nuclear Information System (INIS)

Ribnikar, S.; Anic, S.

1998-01-01

The proceedings has following chapters: Plenary lectures; Chemical Thermodynamics; Spectroscopy, Molecular Structures, Physical Chemistry of Plasma; Kinetics, Catalysis, Nonlinear Dynamics; Electrochemistry; Biophysical Chemistry, Photochemistry, Radiation Chemistry; Radiochemistry, Nuclear Chemistry; Solid State Physical Chemistry, Material Science; Macromolecular Physical Chemistry; Environmental Protection; Phase Boundaries; Complex Compounds; General Physical Chemistry. A separated abstract was prepared for each of the 20 papers selected from the three chapters: Biophysical Chemistry, Photochemistry, Radiation Chemistry; Radiochemistry, Nuclear Chemistry. and Environmental Protection. Refs and figs

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)

Rheological study of chitosan acetate solutions containing chitin nanofibrils

Czech Academy of Sciences Publication Activity Database

Mikešová, Jana; Hašek, Jindřich; Tishchenko, Galina; Morganti, P.

2014-01-01

Roč. 112, 4 November (2014), s. 753-757 ISSN 0144-8617 EU Projects: European Commission(XE) 315233 - N-CHITOPACK Institutional support: RVO:61389013 Keywords : rheology * chitosan solutions * chitin nanofibrils Subject RIV: CD - Macromolecular Chemistry Impact factor: 4.074, year: 2014

New travelling wave solutions for nonlinear stochastic evolution

Indian Academy of Sciences (India)

The nonlinear stochastic evolution equations have a wide range of applications in physics, chemistry, biology, economics and finance from various points of view. In this paper, the (′/)-expansion method is implemented for obtaining new travelling wave solutions of the nonlinear (2 + 1)-dimensional stochastic ...

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.

Final Report, Research Program to Investigate the Fundamental Chemistry of Technetium

International Nuclear Information System (INIS)

Lukens, Wayne W. Jr.; Fickes, Michael J.; Bucher, Jerome J.; Burns, Carol J.; Edelstein, Norman M.; Shuh, David K.

2000-01-01

The purpose is to increase the basic scientific understanding of technetium chemistry to better understand the behavior of technetium in chemical environments relevant to DOE. Two important areas in need of study are the behavior of technetium in highly alkaline solutions similar to high-level nuclear waste, and its behavior in different waste forms. This research program addressed these two needs. Two separate approaches were used in this program. The first focus was to understand the basic solution chemistry of technetium, which underlies its behavior in the highly alkaline environment of the nuclear waste tanks located at the Savannah River and Hanford Sites. The specific problems at these sites are related to the anomalous oxidation state of technetium (Schroeder 1995). Although, at high pH, technetium should exist in its highest oxidation state as TcO 4 - , soluble, lower-valent technetium species have been observed in certain wastes. The specific unknowns that this program sought to answer are the nature of lower valent technetium species that can be formed in highly alkaline solution and whether pertechnetate undergoes radiolytic reduction in highly alkaline solution when nitrate is present in excess. The second focus area is the behavior of technetium immobilized in various waste forms. The behavior of technetium in cement wastes was examined to gain information about its long-term stability. Specifically, this research examined the oxidation of reduced technetium species by components present in high-level waste that are incorporated into cement waste along with technetium

Antiparallel Dynamic Covalent Chemistries.

Science.gov (United States)

Matysiak, Bartosz M; Nowak, Piotr; Cvrtila, Ivica; Pappas, Charalampos G; Liu, Bin; Komáromy, Dávid; Otto, Sijbren

2017-05-17

The ability to design reaction networks with high, but addressable complexity is a necessary prerequisite to make advanced functional chemical systems. Dynamic combinatorial chemistry has proven to be a useful tool in achieving complexity, however with some limitations in controlling it. Herein we introduce the concept of antiparallel chemistries, in which the same functional group can be channeled into one of two reversible chemistries depending on a controllable parameter. Such systems allow both for achieving complexity, by combinatorial chemistry, and addressing it, by switching from one chemistry to another by controlling an external parameter. In our design the two antiparallel chemistries are thiol-disulfide exchange and thio-Michael addition, sharing the thiol as the common building block. By means of oxidation and reduction the system can be reversibly switched from predominantly thio-Michael chemistry to predominantly disulfide chemistry, as well as to any intermediate state. Both chemistries operate in water, at room temperature, and at mildly basic pH, which makes them a suitable platform for further development of systems chemistry.

The chemistry of the liquid alkali metals

International Nuclear Information System (INIS)

Addison, C.C.

1984-01-01

A study of liquid alkali metals. It encourages comparison with molecular solvents in chapter covering the nature and reactivity of dissolved species, solvation, solubility and electrical conductivity of solutions. It demonstrates lab techniques unique to liquid alkali metals. It discusses large-scale applications from storage batteries to sodium-cooled reactors and future fusion reactors, and associated technological problems. Contents: Some Basic Physical and Chemical Properties; Manipulation of the Liquids; The Chemistry of Purification Methods; Species Formed by Dissolved Elements; Solubilities and Analytical Methods; Alkali Metal Mixtures; Solvation in Liquid Metal; Reactions Between Liquid Alkali Metals and Water; Reactions of Nitrogen with Lithium and the Group II Metals in Liquid Sodium; The Formation, Dissociation and Stability of Heteronuclear Polyatomic Anions; Reactions of the Liquid Alkali Metals and Their Alloys with Simple Alipatic Hydrocarbons; Reactions of the Liquid Alkali Metals with Some Halogen Compounds; Hydrogen, Oxygen and Carbon Meters; Surface Chemistry and Wetting; Corrosion of Transition Metals by the Liquid Alkali Metals; Modern Applications of the Liquid Alkali Metals

How Important are the Laws of Definite and Multiple Proportions in Chemistry and Teaching Chemistry? A History and Philosophy of Science Perspective

Science.gov (United States)

Niaz, Mansoor

The main objectives of this study are:(1) to elaborate a framework based on a rational reconstruction of developments that led to the formulation of the laws of definite and multiple proportions; (2) to ascertain students' views of the two laws; (3) to formulate criteria based on the framework for evaluating chemistry textbooks' treatment of the two laws; and (4) to provide a rationale for chemistry teachers to respond to the question: Can we teach chemistry without the laws of definite and multiple proportions? Results obtained show that most of the textbooks present the laws of definite and multiple proportions within an inductivist perspective, characterized by the following sequence: experimental findings showed that chemical elements combined in fixed/multiple proportions, followed by the formulation of the laws of definite and multiple proportions, and finally Dalton's atomic theory was postulated to explain the laws. Students were found to be reluctant to question the laws that they learnt as the building blocks of chemistry. It is concluded that by emphasizing the laws of definite and multiple proportions, textbooks inevitably endorse the dichotomy between theories and laws, which is questioned by philosophers of science (Lakatos 1970; Giere 1995a, b). An alternative approach is presented which shows that we can teach chemistry without the laws of definite and multiple proportions.

More Chemistry with Light! More Light in Chemistry!

Science.gov (United States)

Bach, Thorsten

2015-09-21

"…︁ Why is chemistry overlooked when talking about light? Is the photon a physical particle per se? Are all important light-induced processes biological? Maybe the role of light for chemistry and the role of chemistry for light may be far less important than a few eccentric scientists would like to believe. From the perspective of a synthetically oriented photochemist, however, the facts are different …︁" Read more in the Editorial by Thorsten Bach. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Medicinal Chemistry/Pharmacology in Sophomore Organic Chemistry.

Science.gov (United States)

Harrison, Aline M.

1989-01-01

Discussed is a series of lectures designed to illustrate the use of general organic chemical principles in molecular biology, introduce current research in interdisciplinary areas to the beginner, increase interest in organic chemistry, and bridge the gap between traditional organic chemistry, biology, and the consumer. An outline is presented.…

Effects of Temperature on Aggregation Kinetics of Graphene Oxide in Aqueous Solutions

Science.gov (United States)

Wang, M.; Gao, B.; Tang, D.; Sun, H.; Yin, X.; Yu, C.

2017-12-01

Temperature may play an important role in controlling graphene oxide (GO) stability in aqueous solutions, but it has been overlooked in the literature. In this work, laboratory experiments were conducted to determine the effects of temperature (6, 25, and 40 °C) on GO aggregation kinetics under different combinations of ionic strength, cation type, humic acid (HA) concentration by monitoring GO hydrodynamic radii and attachment efficiencies. The results showed that, without HA, temperature increase promoted GO aggregation in both monovalent (Na+ and K+) and divalent (Ca2+) solutions. This phenomenon might be caused by multiple processes including enhanced collision frequency, enhanced cation dehydration, and reduced electrostatic repulsion. The presence of HA introduced steric repulsion forces that enhanced GO stability and temperature showed different effects GO aggregation kinetics in monovalent and divalent electrolytes. In monovalent electrolytes, cold temperature diminished the steric repulsion of HA-coated GO. As a result, the fastest increasing rate of GO hydrodynamic radius and the smallest critical coagulation concentration value appeared at the lowest temperature (6 °C). Conversely, in divalent electrolyte solutions with HA, high temperate favored GO aggregation, probably because the interactions between Ca2+ and HA increased with temperature resulting in lower HA coating on GO. Findings of this work emphasized the importance of temperature as well as solution chemistry on the stability and fate of GO nanoparticles in aquatic environment.

Graph Theory and Ion and Molecular Aggregation in Aqueous Solutions

Science.gov (United States)

Choi, Jun-Ho; Lee, Hochan; Choi, Hyung Ran; Cho, Minhaeng

2018-04-01

In molecular and cellular biology, dissolved ions and molecules have decisive effects on chemical and biological reactions, conformational stabilities, and functions of small to large biomolecules. Despite major efforts, the current state of understanding of the effects of specific ions, osmolytes, and bioprotecting sugars on the structure and dynamics of water H-bonding networks and proteins is not yet satisfactory. Recently, to gain deeper insight into this subject, we studied various aggregation processes of ions and molecules in high-concentration salt, osmolyte, and sugar solutions with time-resolved vibrational spectroscopy and molecular dynamics simulation methods. It turns out that ions (or solute molecules) have a strong propensity to self-assemble into large and polydisperse aggregates that affect both local and long-range water H-bonding structures. In particular, we have shown that graph-theoretical approaches can be used to elucidate morphological characteristics of large aggregates in various aqueous salt, osmolyte, and sugar solutions. When ion and molecular aggregates in such aqueous solutions are treated as graphs, a variety of graph-theoretical properties, such as graph spectrum, degree distribution, clustering coefficient, minimum path length, and graph entropy, can be directly calculated by considering an ensemble of configurations taken from molecular dynamics trajectories. Here we show percolating behavior exhibited by ion and molecular aggregates upon increase in solute concentration in high solute concentrations and discuss compelling evidence of the isomorphic relation between percolation transitions of ion and molecular aggregates and water H-bonding networks. We anticipate that the combination of graph theory and molecular dynamics simulation methods will be of exceptional use in achieving a deeper understanding of the fundamental physical chemistry of dissolution and in describing the interplay between the self-aggregation of solute

Graph Theory and Ion and Molecular Aggregation in Aqueous Solutions.

Science.gov (United States)

Choi, Jun-Ho; Lee, Hochan; Choi, Hyung Ran; Cho, Minhaeng

2018-04-20

In molecular and cellular biology, dissolved ions and molecules have decisive effects on chemical and biological reactions, conformational stabilities, and functions of small to large biomolecules. Despite major efforts, the current state of understanding of the effects of specific ions, osmolytes, and bioprotecting sugars on the structure and dynamics of water H-bonding networks and proteins is not yet satisfactory. Recently, to gain deeper insight into this subject, we studied various aggregation processes of ions and molecules in high-concentration salt, osmolyte, and sugar solutions with time-resolved vibrational spectroscopy and molecular dynamics simulation methods. It turns out that ions (or solute molecules) have a strong propensity to self-assemble into large and polydisperse aggregates that affect both local and long-range water H-bonding structures. In particular, we have shown that graph-theoretical approaches can be used to elucidate morphological characteristics of large aggregates in various aqueous salt, osmolyte, and sugar solutions. When ion and molecular aggregates in such aqueous solutions are treated as graphs, a variety of graph-theoretical properties, such as graph spectrum, degree distribution, clustering coefficient, minimum path length, and graph entropy, can be directly calculated by considering an ensemble of configurations taken from molecular dynamics trajectories. Here we show percolating behavior exhibited by ion and molecular aggregates upon increase in solute concentration in high solute concentrations and discuss compelling evidence of the isomorphic relation between percolation transitions of ion and molecular aggregates and water H-bonding networks. We anticipate that the combination of graph theory and molecular dynamics simulation methods will be of exceptional use in achieving a deeper understanding of the fundamental physical chemistry of dissolution and in describing the interplay between the self-aggregation of solute

Gender Differences in Cognitive and Noncognitive Factors Related to Achievement in Organic Chemistry

Science.gov (United States)

Turner, Ronna C.; Lindsay, Harriet A.

2003-05-01

For many college students in the sciences, organic chemistry poses a difficult challenge. Indeed, success in organic chemistry has proven pivotal in the careers of a vast number of students in a variety of science disciplines. A better understanding of the factors that contribute to achievement in this course should contribute to efforts to increase the number of students in the science disciplines. Further, an awareness of gender differences in factors associated with achievement should aid efforts to bolster the participation of women in chemistry and related disciplines. Using a correlation research design, the individual relationships between organic chemistry achievement and each of several cognitive variables and noncognitive variables were assessed. In addition, the relationships between organic chemistry achievement and combinations of these independent variables were explored. Finally, gender- and instructor-related differences in the relationships between organic chemistry achievement and the independent variables were investigated. Cognitive variables included the second-semester general chemistry grade, the ACT English, math, reading, and science-reasoning scores, and scores from a spatial visualization test. Noncognitive variables included anxiety, confidence, effectance motivation, and usefulness. The second-semester general chemistry grade was found to be the best indicator of performance in organic chemistry, while the effectiveness of other predictors varied between instructors. In addition, gender differences were found in the explanations of organic chemistry achievement variance provided by this study. In general, males exhibited stronger correlations between predictor variables and organic chemistry achievement than females.

Selective removal of dissolved toxic metals from groundwater by ultrafiltration in combination with chemical treatment

International Nuclear Information System (INIS)

Buckley, L.P.; Le, V.T.; McConeghy, G.J.; Martin, J.F.

1989-09-01

An alternative in-place process for the removal of toxic heavy metals based on aqueous solution chemistry and treatment is being evaluated under the auspices of the Emerging Technologies Program funded through the USEPA's Superfund Innovative Technology Evaluation Program. The technique involves the contacting of aqueous solutions containing the heavy metal contaminants with low concentrations of polyelectrolytes, and then removing the polyelectrolytes from solution with ultrafiltration membranes. The first phase of the program is considered complete. Success has been achieved for the separation of soluble, heavy metal ions: cadmium, lead, and mercury even in the presence of an organic compound, toluene. Removal was successful at alkaline conditions, using any combination of membrane material or polyelectrolyte. Arsenic was removed, but not effectively, using the current polyelectrolytes, simply because arsenic is present as an anionic species rather than as a cationic species. Optimization of the process variables is nearing completion and pilot and field testing will take place in the second year of the program to verify the process under realistic conditions and to establish process economics

Power plant cycle chemistry - a currently neglected power plant chemistry discipline

International Nuclear Information System (INIS)

Bursik, A.

2005-01-01

Power plant cycle chemistry seems to be a stepchild at both utilities and universities and research organizations. It is felt that other power plant chemistry disciplines are more important. The last International Power Cycle Chemistry Conference in Prague may be cited as an example. A critical review of the papers presented at this conference seems to confirm the above-mentioned statements. This situation is very unsatisfactory and has led to an increasing number of component failures and instances of damage to major cycle components. Optimization of cycle chemistry in fossil power plants undoubtedly results in clear benefits and savings with respect to operating costs. It should be kept in mind that many seemingly important chemistry-related issues lose their importance during forced outages of units practicing faulty plant cycle chemistry. (orig.)

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)

Sound velocity in potassium hydroxide aqueous solution

International Nuclear Information System (INIS)

Tsapuryan, Kh.D.; Aleksandrov, A.A.; Kochetkov, A.I.

1992-01-01

Measurements of ultrasonic velocities in potassium hydroxide aqueous solutions are carried out within the frames of studies on improvement of water chemistry in NPP cooling systems. Method of echo pulses superposition with acoustic path length of 41.447 mm is used for measurements. The measurements are performed at 2.6 MHz frequency. Complex temperature dependence of ultrasonic velocity is determined. Ultrasonic velocity dependence on pressure is close to linear one. The formula for calculation of thermodynamic properties of the studied solutions on the basis of experimental data obtained is proposed

From trace chemistry to single atom chemistry

International Nuclear Information System (INIS)

Adloff, J.P.

1993-01-01

Hot atom chemistry in the vast majority of experimental works deals with the trace amount of radioactive matters. Accordingly, the concept of trace chemistry is at the heart of hot atom chemistry. Some aspects of the chemistry at trace scale and at subtrace scale are presented together with the related problems of speciation and the complication which may arise due to the formation of radio colloids. The examples of 127 I(n,γ) 128 I and 132 Te (β - ) 132 I are shown, and the method based on radioactivity was used. The procedure of separating the elements in pitchblende is shown as the example of the chemistry of traces. 13 27 Al+ 2 4 He→ 0 1 n+ 15 30 P and 15 30 P→ 14 30 Si+e + +V are shown, and how to recognize the presence of radioactive colloids is explained. The formation of radiocolloids is by the sorption of a trace radioelement on pre-existing colloidal impurity or the self-condensation of monomeric species. The temporal parameters of the nature of reactions at trace concentration are listed. The examples of Class A and Class B reactions are shown. The kinetics of reactions at trace level, radon concentration, anthropogenic Pu and natural Pu in environment, the behavior of Pu atoms and so on are described. (K.I.)

Global limit load solutions for thick-walled cylinders with circumferential cracks under combined internal pressure, axial force and bending moment − Part II: Finite element validation

International Nuclear Information System (INIS)

Li, Yuebing; Lei, Yuebao; Gao, Zengliang

2014-01-01

Global limit load solutions for thick-walled cylinders with circumferential internal/external surface and through-wall defects under combined positive/negative axial force, positive/negative global bending moment and internal pressure have been developed in Part I of this paper. In this Part II, elastic-perfectly plastic 3-D finite element (FE) analyses are performed for selected cases, covering a wide range of geometries and load combinations, to validate the developed limit load solutions. The results show that these limit load solutions can predict the FE data very well for the cases with shallow or deep and short cracks and are conservative. For the cases with very long and deep cracks, the predictions are reasonably accurate and more conservative. -- Highlights: • Elastic-perfectly plastic 3D finite element limiting analyses of cylinders. • Thin/thick-walled cylinders with circumferential surface defects. • Combined loading for pressure, end-force and global bending moment. • Totally 1458 cases analysed and tabulated normalised results provided. • Results used to validate the developed limit load solutions in Part I of this paper

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.

Preparative radiation chemistry

International Nuclear Information System (INIS)

Drawe, H.

1978-01-01

Preparative synthesis of compounds with the aid of radiation chemistry is increasingly used in laboratories as well as on a technical scale. A large number of new compounds has been produced with the methods of radiation chemistry. With the increasing number of available radiation sources, also the number of synthesis metods in radiation chemistry has increased. This paper can only briefly mention the many possible ways of synthesis in radiation chemistry. (orig./HK) [de

Imidazole as a pH Probe: An NMR Experiment for the General Chemistry Laboratory

Science.gov (United States)

Hagan, William J., Jr.; Edie, Dennis L.; Cooley, Linda B.

2007-01-01

The analysis describes an NMR experiment for the general chemistry laboratory, which employs an unknown imidazole solution to measure the pH values. The described mechanism can also be used for measuring the acidity within the isolated cells.

Principles of Chemistry (by Michael Munowitz)

Science.gov (United States)

Kovac, Reviewed By Jeffrey

2000-05-01

principles. This is a very conceptual book. Each chapter has two parts, which are distinguished by having different-colored pages: white and gray. The first part of every chapter is a lovely conceptual development of the "big picture". In these white pages, there are no sample problems, no tables of data, just elegant prose liberally illustrated with graphs and diagrams. Mathematical and chemical equations and chemical structures are presented as needed, but the goal is to provide the reader with a conceptual understanding. I found these introductory "lectures", as Munowitz terms them, to be enchanting. The second part of each chapter is a review and guide to problems, what Munowitz calls the "recitation" section. These pages are gray. This second section gives a brief summary of the material, which is followed by a series of worked examples that apply the concepts to practical problems. This structure reflects the author's pedagogical philosophy--begin with the general and move to the specific--and his view of chemistry as a combination of "lofty principles and gritty practicality". Following the worked examples, of course, are exercises for the student, ranging from simple drill problems to more sophisticated applications of the principles. I was a little disappointed, however, that there were so few conceptual exercises. Although Munowitz describes the second part of each chapter as a review and applications, he does put new material into the sample problems. For example, in Chapter 3 the concept of oxidation numbers is introduced and sample problems on the assignment of oxidation numbers are presented. Then, in example 3-3, the concept of formal charge is presented as a contrast to the oxidation number even though this idea had not been previously introduced. The dual structure of white and gray pages makes this book unique but also very long. The combined length of the white sections is about 800 pages, but an approximately 25-page conceptual section is always followed

NMR study of thermoresponsive block copolymer in aqueous solution

Czech Academy of Sciences Publication Activity Database

Spěváček, Jiří; Konefal, Rafal; Čadová, Eva

2016-01-01

Roč. 217, č. 12 (2016), s. 1370-1375 ISSN 1022-1352 R&D Projects: GA ČR(CZ) GA15-13853S Institutional support: RVO:61389013 Keywords : aqueous solutions * NMR * NOESY Subject RIV: CD - Macromolecular Chemistry Impact factor: 2.500, year: 2016

Summary Report for April, May and June, 1951, Chemistry Division, Section C-1

Energy Technology Data Exchange (ETDEWEB)

Manning, W. M. [Argonne National Lab. (ANL), Argonne, IL (United States). Chemistry Division; Osborne, D. W. [Argonne National Lab. (ANL), Argonne, IL (United States). Chemistry Division

1951-08-01

This is a summary report for April, May and June, 1951, in the Chemistry Division, Section C-1 of Argonne National Laboratory. Topics include Nuclear Chemistry and Radiochemistry with specifics about the following: 1) U²³⁸ (n,2n) Cross Section WIthin a Uranium Slug, and 2) Possible Occurrence of Si³² in Nature. Basic Chemistry is also covered, going into the following subjects: 1) Heats of Solution of Salts in Organic Solvents, 2) Effect of Coordination on Absorption Spectra of Anions, 3) Entropy, Enthalpy, and Heat Capacity of Thorium Dioxide from 10 to 300°K, 4) The Thermodynamics of Neptunium Ions, 5) Migration of Ions in Ion-Exchange Resins During Electrolysis, and 5) Mutual Separation of Lanthanides and Actinides by Solvent Extraction Techniques.

Physicochemical studies on ion-pair amphiphiles: Solution and ...

Indian Academy of Sciences (India)

Administrator

Centre for Surface Science, Department of Chemistry, Jadavpur University, Kolkata 700 032. 2 ... ing systems, drug delivery, nanoparticle synthesis, ... to study the phase behaviours and the interfacial ..... Sections: A, coacervate formation (0⋅10–0⋅19 mol dm ... marked zone – clear solution with precipitate; cross marked.

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.

Simultaneous assessment of phase chemistry, phase abundance and bulk chemistry with statistical electron probe micro-analyses: Application to cement clinkers

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Wilson, William; Krakowiak, Konrad J.; Ulm, Franz-Josef, E-mail: ulm@mit.edu

2014-01-15

According to recent developments in cement clinker engineering, the optimization of chemical substitutions in the main clinker phases offers a promising approach to improve both reactivity and grindability of clinkers. Thus, monitoring the chemistry of the phases may become part of the quality control at the cement plants, along with the usual measurements of the abundance of the mineralogical phases (quantitative X-ray diffraction) and the bulk chemistry (X-ray fluorescence). This paper presents a new method to assess these three complementary quantities with a single experiment. The method is based on electron microprobe spot analyses, performed over a grid located on a representative surface of the sample and interpreted with advanced statistical tools. This paper describes the method and the experimental program performed on industrial clinkers to establish the accuracy in comparison to conventional methods. -- Highlights: •A new method of clinker characterization •Combination of electron probe technique with cluster analysis •Simultaneous assessment of phase abundance, composition and bulk chemistry •Experimental validation performed on industrial clinkers.

Simultaneous assessment of phase chemistry, phase abundance and bulk chemistry with statistical electron probe micro-analyses: Application to cement clinkers

International Nuclear Information System (INIS)

Wilson, William; Krakowiak, Konrad J.; Ulm, Franz-Josef

2014-01-01

According to recent developments in cement clinker engineering, the optimization of chemical substitutions in the main clinker phases offers a promising approach to improve both reactivity and grindability of clinkers. Thus, monitoring the chemistry of the phases may become part of the quality control at the cement plants, along with the usual measurements of the abundance of the mineralogical phases (quantitative X-ray diffraction) and the bulk chemistry (X-ray fluorescence). This paper presents a new method to assess these three complementary quantities with a single experiment. The method is based on electron microprobe spot analyses, performed over a grid located on a representative surface of the sample and interpreted with advanced statistical tools. This paper describes the method and the experimental program performed on industrial clinkers to establish the accuracy in comparison to conventional methods. -- Highlights: •A new method of clinker characterization •Combination of electron probe technique with cluster analysis •Simultaneous assessment of phase abundance, composition and bulk chemistry •Experimental validation performed on industrial clinkers

Organic chemistry experiment

International Nuclear Information System (INIS)

Mun, Seok Sik

2005-02-01

This book deals with organic chemistry experiments, it is divided five chapters, which have introduction, the way to write the experiment report and safety in the laboratory, basic experiment technic like recrystallization and extraction, a lot of organic chemistry experiments such as fischer esterification, ester hydrolysis, electrophilic aromatic substitution, aldol reaction, benzoin condensation, wittig reaction grignard reaction, epoxidation reaction and selective reduction. The last chapter introduces chemistry site on the internet and way to find out reference on chemistry.

Combined Heat and Power: Effective Energy Solutions for a Sustainable Future

Energy Technology Data Exchange (ETDEWEB)

Shipley, Anna [SENTECH, Inc., Bethesda, MD (United States); Hampson, Anne [ICF, International, Arlington, VA (United States); Hedman, Bruce [ICF, International, Arlington, VA (United States); Garland, Patti [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Bautista, Paul [SENTECH, Inc., Bethesda, MD (United States)

2008-12-01

This report describes in detail the four key areas where CHP has proven its effectiveness and holds promise for the future—as an: environmental solution, significantly reducing CO₂ emissions through greater energy efficiency; competitive business solution, increasing efficiency, reducing business costs, and creating green-collar jobs; local energy solution, deployable throughout the United States; and infrastructure modernization solution, relieving grid congestion and improving energy security.

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.…

Direct measurement of CO2 solubility and pH in NaCl hydrothermal solutions by combining in-situ potentiometry and Raman spectroscopy up to 280 °C and 150 bar

Science.gov (United States)

Truche, Laurent; Bazarkina, Elena F.; Berger, Gilles; Caumon, Marie-Camille; Bessaque, Gilles; Dubessy, Jean

2016-03-01

The in-situ monitoring of aqueous solution chemistry at elevated temperatures and pressures is a major challenge in geochemistry. Here, we combined for the first time in-situ Raman spectroscopy for concentration measurements and potentiometry for pH measurement in a single hydrothermal cell equipped with sampling systems and operating under controlled conditions of temperature and pressure. Dissolved CO2 concentration and pH were measured at temperatures up to 280 °C and pressures up to 150 bar in the H2O-CO2 and H2O-CO2-NaCl systems. A Pitzer specific-ion-interaction aqueous model was developed and confirmed the accuracy and consistency of the measurements, at least up to 250 °C. The revised Pitzer parameters for the H2O-CO2-NaCl system were formatted for the Phreeqc geochemical software. Significant changes with respect to the Pitzer.dat database currently associated with Phreeqc were observed. The new model parameters are now available for further applications. The Raman and pH probes tested here may also be applied to field monitoring of hydrothermal springs, geothermal wells, and oil and gas boreholes.

Spatially controlled immobilisation of biomolecules: A complete approach in green chemistry

Science.gov (United States)

Grinenval, Eva; Nonglaton, Guillaume; Vinet, Françoise

2014-01-01

The development of 'green' sensors is a challenging task in the field of biomolecule sensing, for example in the detection of cardiac troponin-I (cTnI). In the present work a complete approach in green chemistry was developed to create chemically active patterns for the immobilisation of biological probes. This key technology is discussed on the basis of the twelve green chemistry principles, and is a combination of surface patterning by spotting and surface chemistries modified by molecular vapour deposition. The (1H,1H,2H,2H)-perfluorodecyltrichlorosilane (FDTS) was used as a novel anti-adsorption layer while the 3,4-epoxybutyltrimethoxysilane (EBTMOS) was used to immobilise probes. Oligonucleotides and the anti-cTnI antibody were studied. The spatially controlled immobilisation of probes was characterised by fluorescence. The demonstrated surface modification has broad applications in areas such as diagnostics and bio-chemical sensing. Moreover, the environmental impacts of surface patterning and surface chemistry were discussed from a 'greenness' point of view.

Structure and reaction of electrolytic solution. Denkaishitsu yoeki no kozo to hanno

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Otaki, H. (Okazaki National Research Inst., Aichi (Japan))

1990-07-05

An electrolytic solution has been recognized as an ion transporting system since the oldest time in the history of electrochemistry, and the chemistry related thereto forms the most basic field of electrochemistry. In this article, the progress of chemistry concerning electrolytic solutions since M. Faraday is briefly stated, and in view of very scanty structural knowledge available on other solutions in comparison with the structure of water on which extensive studies have been made, the respective structures of such non-aqueous solutions as the mixed solvent of N,N-dimethylformamide (DMF)-acetonitrile (AN) and the mixed solvent of dimethylsulfoxide (DMSO)-2,2,2-triphloroethanol (TFE) are studied. In addition, concerning the solvation when ions exist in such a non-aqueous solvent mixed system, the selective solvation of Cu {sup 2+} ions in the DMF-AN and Cu {sup 2+} as well as Cl {sup {minus}} ions in the DMSO-TFE is respectively explained, and the solvent effect, etc. of Cu {sup 2+} ions and Cl {sup {minus}} ions on the complex forming reaction are discussed. 17 refs., 8 figs., 2 tabs.

A combined wet chemistry and EXAFS study of U(VI) uptake by cementitious materials

International Nuclear Information System (INIS)

Wieland, E.; Harfouche, M.; Tits, J.; Kunz, D.; Daehn, R.; Fujita, T.; Tsukamoto, M.

2006-01-01

The sorption behaviour and speciation of U(VI) in cementitious systems was investigated by a combination of wet chemistry experiments and synchrotron-based X-ray absorption spectroscopy (XAS) measurements. Radiotracer studies using 233 U were carried out on hardened cement paste (HCP) and calcium silicate hydrates (C-S-H), which are the major constituents of HCP, to determine the uptake kinetics and sorption isotherms. C-S-H phases were synthesized using different methods for solid phase preparation, which enabled us to study the U(VI) uptake by different types of C-S-H phases and a wide range of Ca/Si compositions, and to distinguish U(VI) sorption on the surface of C-S-H from U(VI) incorporation into the structure. XAS measurements were performed using U(VI) loaded HCP and C-S-H materials (sorption and co-precipitation samples) to gain structural information on the U(VI) speciation in these systems, i.e., the type and number of neighbouring atoms, and bond distances. Examples of studies that have utilized XAS to characterize U(VI) speciation in cementitious systems are still rare, and to the best of our knowledge, detailed XAS investigations of the U(VI)/C-S-H system are lacking. The results obtained from the combined use of wet chemical and spectroscopic techniques allow mechanistic models of the immobilization process to be proposed for cementitious waste forms containing low and high U(VI) inventories. In the latter case U(VI) immobilization is controlled by a solubility-limiting process with the U(VI) mineral predominantly formed under the conditions prevailing in cementitious systems. At low U(VI) concentrations, however, U(VI) appears to be predominantly bound onto C-S-H phases. The coordination environment of U(VI) taken up by C-S-H was found to resemble that of U(VI) in uranophane. A mechanistic understanding of the U(VI) binding by cementitious materials will allow more detailed and scientifically well founded predictions of the retention of

Water chemistry in boiling water reactors - A Leibstadt-specific overview

International Nuclear Information System (INIS)

Sarott, F.-A.

2005-01-01

The boiling water reactor (BWR) consists of two main water circuits: the water-steam cycle and the main cooling water system. In the introduction, the goals and tasks of the BWR plant chemistry are described. The most important objectives are the prevention of system degradation by corrosion and the minimisation of radiation fields. Then a short description of the BWR operation principle, including the water steam cycle, the transport of various impurities by the steam, removing impurities from the condensate, the reactor water clean-up system, the balance of plant and the main cooling water system, is given. Subsequently, the focus is set on the water-steam cycle chemistry. In order to fulfil the somewhat contradictory requirements, the chemical parameters must be well balanced. This is achieved by the water chemistry control method called 'normal water chemistry'. Other additional methods are used for the solution to different problems. The 'zinc addition method' is applied to reduce high radiation levels around the recirculation loops. The 'hydrogen water chemistry method' and the 'noble metal chemical addition method' are used to protect the reactor core components and piping made of stainless steel against stress corrosion cracking. This phenomenon has been observed for about 40 years and is partly due to the strong oxidising conditions in the BWR water. Both mitigation methods are used by the majority of the BWR plants all over the world (including the two Swiss NPPs Muehleberg and Leibstadt). (author)

Analytical chemistry instrumentation

International Nuclear Information System (INIS)

Laing, W.R.

1986-01-01

In nine sections, 48 chapters cover 1) analytical chemistry and the environment 2) environmental radiochemistry 3) automated instrumentation 4) advances in analytical mass spectrometry 5) fourier transform spectroscopy 6) analytical chemistry of plutonium 7) nuclear analytical chemistry 8) chemometrics and 9) nuclear fuel technology

Is Chemistry Attractive for Pupils? Czech Pupils' Perception of Chemistry

Science.gov (United States)

Kubiatko, Milan

2015-01-01

Chemistry is an important subject due to understanding the composition and structure of the things around us. The main aim of the study was to find out the perception of chemistry by lower secondary school pupils. The partial aims were to find out the influence of gender, year of study and favorite subject on the perception of chemistry. The…

Towards "Bildung"-Oriented Chemistry Education

Science.gov (United States)

Sjöström, Jesper

2013-01-01

This paper concerns "Bildung"-oriented chemistry education, based on a reflective and critical discourse of chemistry. It is contrasted with the dominant type of chemistry education, based on the mainstream discourse of chemistry. "Bildung"-oriented chemistry education includes not only content knowledge in chemistry, but also…

Green Chemistry Metrics with Special Reference to Green Analytical Chemistry

Directory of Open Access Journals (Sweden)

Marek Tobiszewski

2015-06-01

Full Text Available The concept of green chemistry is widely recognized in chemical laboratories. To properly measure an environmental impact of chemical processes, dedicated assessment tools are required. This paper summarizes the current state of knowledge in the field of development of green chemistry and green analytical chemistry metrics. The diverse methods used for evaluation of the greenness of organic synthesis, such as eco-footprint, E-Factor, EATOS, and Eco-Scale are described. Both the well-established and recently developed green analytical chemistry metrics, including NEMI labeling and analytical Eco-scale, are presented. Additionally, this paper focuses on the possibility of the use of multivariate statistics in evaluation of environmental impact of analytical procedures. All the above metrics are compared and discussed in terms of their advantages and disadvantages. The current needs and future perspectives in green chemistry metrics are also discussed.

Green Chemistry Metrics with Special Reference to Green Analytical Chemistry.

Science.gov (United States)

Tobiszewski, Marek; Marć, Mariusz; Gałuszka, Agnieszka; Namieśnik, Jacek

2015-06-12

The concept of green chemistry is widely recognized in chemical laboratories. To properly measure an environmental impact of chemical processes, dedicated assessment tools are required. This paper summarizes the current state of knowledge in the field of development of green chemistry and green analytical chemistry metrics. The diverse methods used for evaluation of the greenness of organic synthesis, such as eco-footprint, E-Factor, EATOS, and Eco-Scale are described. Both the well-established and recently developed green analytical chemistry metrics, including NEMI labeling and analytical Eco-scale, are presented. Additionally, this paper focuses on the possibility of the use of multivariate statistics in evaluation of environmental impact of analytical procedures. All the above metrics are compared and discussed in terms of their advantages and disadvantages. The current needs and future perspectives in green chemistry metrics are also discussed.

Understanding "Green Chemistry" and "Sustainability": An Example of Problem-Based Learning (PBL)

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Günter, Tugçe; Akkuzu, Nalan; Alpat, Senol

2017-01-01

Background: This study uses problem-based learning (PBL) to ensure that students comprehend the significance of green chemistry better by experiencing the stages of identifying the problem, developing hypotheses, and providing solutions within the problem-solving process. Purpose: The aim of this study is to research the effect of PBL implemented…

A gist of comprehensive review of hadronic chemistry and its applications

Energy Technology Data Exchange (ETDEWEB)

Tangde, Vijay M. [Post Graduate Teaching Department of Chemistry, Rashtrasant Tukadoji Maharaj Nagpur University, Amravati Road Campus, NAGPUR - 440 033, India, Email: vijaytn6@gmail.com (India)

2015-03-10

20{sup th} century theories of Quantum Mechanics and Quantum Chemistry are exactly valid only when considered to represent the atomic structures. While considering the more general aspects of atomic combinations these theories fail to explain all the related experimental data from first unadulterated axiomatic principles. According to Quantum Chemistry two valence electrons should repel each other and as such there is no mathematical representation of a strong attractive forces between such valence electrons. In view of these and other insufficiencies of Quantum Chemistry, an Italian-American Scientist Professor Ruggero Maria Santilli during his more than five decades of dedicated and sustained research has denounced the fact that quantum chemistry is mostly based on mere nomenclatures. Professor R M Santilli first formulated the iso-, geno- and hyper- mathematics [1, 2, 3, 4] that helped in understanding numerous diversified problems and removing inadequacies in most of the established and celebrated theories of 20th century physics and chemistry. This involves the isotopic, genotopic, etc. lifting of Lie algebra that generated Lie admissible mathematics to properly describe irreversible processes. The studies on Hadronic Mechanics in general and chemistry in particular based on Santilli’s mathematics[3, 4, 5] for the first time has removed the very fundamental limitations of quantum chemistry [2, 6, 7, 8]. In the present discussion, a comprehensive review of Hadronic Chemistry is presented that imparts the completeness to the Quantum Chemistry via an addition of effects at distances of the order of 1 fm (only) which are assumed to be Non-linear, Non-local, Non-potential, Non-hamiltonian and thus Non-unitary, stepwise successes of Hadronic Chemistry and its application in development of a new chemical species called Magnecules.

A gist of comprehensive review of hadronic chemistry and its applications

International Nuclear Information System (INIS)

Tangde, Vijay M.

2015-01-01

20 th century theories of Quantum Mechanics and Quantum Chemistry are exactly valid only when considered to represent the atomic structures. While considering the more general aspects of atomic combinations these theories fail to explain all the related experimental data from first unadulterated axiomatic principles. According to Quantum Chemistry two valence electrons should repel each other and as such there is no mathematical representation of a strong attractive forces between such valence electrons. In view of these and other insufficiencies of Quantum Chemistry, an Italian-American Scientist Professor Ruggero Maria Santilli during his more than five decades of dedicated and sustained research has denounced the fact that quantum chemistry is mostly based on mere nomenclatures. Professor R M Santilli first formulated the iso-, geno- and hyper- mathematics [1, 2, 3, 4] that helped in understanding numerous diversified problems and removing inadequacies in most of the established and celebrated theories of 20th century physics and chemistry. This involves the isotopic, genotopic, etc. lifting of Lie algebra that generated Lie admissible mathematics to properly describe irreversible processes. The studies on Hadronic Mechanics in general and chemistry in particular based on Santilli’s mathematics[3, 4, 5] for the first time has removed the very fundamental limitations of quantum chemistry [2, 6, 7, 8]. In the present discussion, a comprehensive review of Hadronic Chemistry is presented that imparts the completeness to the Quantum Chemistry via an addition of effects at distances of the order of 1 fm (only) which are assumed to be Non-linear, Non-local, Non-potential, Non-hamiltonian and thus Non-unitary, stepwise successes of Hadronic Chemistry and its application in development of a new chemical species called Magnecules

SUPPLEMENTARY INFORMATION A combined Electrochemical ...

Indian Academy of Sciences (India)

DELL

A combined Electrochemical and Theoretical study of pyridine-based Schiff bases as novel corrosion inhibitors for mild steel in hydrochloric acid medium. PARUL DOHAREa, M A QURAISHIb* and I B OBOTb. aDepartment of Chemistry, Indian Institute of Technology, Banaras Hindu University, Varanasi, Uttar. Pradesh 221 ...

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)

Hot functional test chemistry - long term experience

International Nuclear Information System (INIS)

Vonkova, K.; Kysela, J.; Marcinsky, M.; Martykan, M.

2010-01-01

Primary circuit materials undergo general corrosion in high temperature, deoxygenated, neutral or mildly alkaline solutions to form thin oxide films. These oxide layers (films) serve as protective film and mitigate the further corrosion of primary materials. Inner chromium-rich oxide layer has low cation diffusion coefficients and thus control iron and nickel transport from the metal surface to the outer layer and their dissolution into the coolant. Much less corrosion products are generated by the compact, integral and stable oxide (passivation) layer. For the latest Czech and Slovak stations commissioned (Temelin and Mochovce) a modified Hot Functional Test (HFT) chemistry was developed in the NRI Rez. Chromium rich surface layer formatted due to modified HTF chemistry ensures lower corrosion rates and radiation field formation and thus also mitigates crud formation during operation. This procedure was also designed to prepare the commissioned unit for the further proper water chemistry practise. Mochovce 1 (SK) was the first station commissioned using these recommendations in 1998. Mochovce 2 (1999) and Temelin 1 and 2 (CZ - 2000 and 2002) were subsequently commissioned using these guidelines too. The main principles of the controlled primary water chemistry applied during the hot functional tests are reviewed and importance of the water chemistry, technological and other relevant parameters is stressed regarding to the quality of the passive layer formed on the primary system surfaces. Samples from Mochovce indicated that duplex oxide layers up to 20 μm thick were produced, which were mainly magnetite substituted with nickel and chromium (e.g. 60-65% Fe, 18-28% Cr, 9-12% Ni, <1% Mn and 1-2% Si on a stainless steel primary circuit sample). Long term operation experience from both nuclear power plants are discussed in this paper. Radiation field, occupational radiation exposure and corrosion layers evolution during the first c. ten years of operation are

Tracking chemistry self-efficacy and achievement in a preparatory chemistry course

Science.gov (United States)

Garcia, Carmen Alicia

Self-efficacy is a person's own perception about performing a task with a certain level of proficiency (Bandura, 1986). An important affective aspect of learning chemistry is chemistry self-efficacy (CSE). Several researchers have found chemistry self-efficacy to be a fair predictor of achievement in chemistry. This study was done in a college preparatory chemistry class for science majors exploring chemistry self-efficacy and its change as it relates to achievement. A subscale of CAEQ, Chemistry Attitudes and Experiences Questionnaire (developed by Dalgety et al, 2003) as well as student interviews were used to determine student chemistry self-efficacy as it changed during the course. The questionnaire was given to the students five times during the semester: in the first class and the class before each the four tests taken through the semester. Twenty-six students, both men and women, of the four major races/ethnicities were interviewed three times during the semester and events that triggered changes in CSE were followed through the interviews. HLM (hierarchical linear modeling) was used to model the results of the CSE surveys. Among the findings, women who started at significantly lower CSE than men accomplished a significant gain by the end of the semester. Blacks' CSE trends through the semester were found to be significantly different from the rest of the ethnicities.

Green Chemistry Pedagogy

Science.gov (United States)

Kolopajlo, Larry

2017-02-01

This chapter attempts to show how the practice of chemistry teaching and learning is enriched by the incorporation of green chemistry (GC) into lectures and labs. To support this viewpoint, evidence from a wide range of published papers serve as a cogent argument that GC attracts and engages both science and nonscience students, enhances chemistry content knowledge, and improves the image of the field, while preparing the world for a sustainable future. Published pedagogy associated with green and sustainable chemistry is critically reviewed and discussed.

Transuranic Computational Chemistry.

Science.gov (United States)

Kaltsoyannis, Nikolas

2018-02-26

Recent developments in the chemistry of the transuranic elements are surveyed, with particular emphasis on computational contributions. Examples are drawn from molecular coordination and organometallic chemistry, and from the study of extended solid systems. The role of the metal valence orbitals in covalent bonding is a particular focus, especially the consequences of the stabilization of the 5f orbitals as the actinide series is traversed. The fledgling chemistry of transuranic elements in the +II oxidation state is highlighted. Throughout, the symbiotic interplay of experimental and computational studies is emphasized; the extraordinary challenges of experimental transuranic chemistry afford computational chemistry a particularly valuable role at the frontier of the periodic table. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

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)