Chemical and antimicrobial analysis of husk fiber aqueous extract ...

African Journals Online (AJOL)

Chemical and antimicrobial analysis of husk fiber aqueous extract from Cocos nucifera L. Davi Oliveira e Silva, Gabriel Rocha Martins, Antônio Jorge Ribeiro da Silva, Daniela Sales Alviano, Rodrigo Pires Nascimento, Maria Auxiliadora Coelho Kaplan, Celuta Sales Alviano ...

Chemical states of p-boronophenylalanine in aqueous carboxylic acids and polyols

International Nuclear Information System (INIS)

Kobayashi, Mitsue; Kitaoka, Yoshinori

1995-01-01

Chemical states of p-boronophenylalanine were studied by infrared (IR) spectroscopy in aqueous carboxylic acids and in aqueous fructose. For BPA in water, the absorption band due to the B-O stretching of trigonal boron was observed, while that of tetrahedral boron was observed for BPA in aqueous oxalic acid. This means BPA forms a complex of tetrahedral boron with oxalate. It was proved that BPA also formed complexes of tetrahedral boron with citric acid as well as with fructose. No appreciable interaction was detected between BPA and maleic acid. (author)

The physical and chemical environment and radionuclide migration in a low level radioactive waste repository

International Nuclear Information System (INIS)

Torok, J.; Buckley, L.P.

1988-01-01

The expected physical and chemical environment within the low-level radioactive waste repository to be sited at Chalk River is being studied to establish the rate of radionuclide migration. Chemical conditions in the repository are being assessed for their effect on buffer performance and the degradiation of the concrete structure. Experimental programs include the effect of changes in solution chemistry on radionuclide distribution between buffer/backfill materials and the aqueous phase; the chemical stability of the buffer materials and the determination of the controlling mechanism for radionuclide transport during infiltration

Optimisation and application of electrochemical techniques for high temperature aqueous environments

International Nuclear Information System (INIS)

Bojinov, M.; Laitinen, B. T.; Maekelae, K.; Maekelae, M; Saario, T.; Sirkiae, P.; Beverskog, B.

1999-01-01

Different localised corrosion phenomena may pose a serious hazard to construction materials employed in high-temperature aqueous environments. The operating temperatures in electric power production have been increased to improve plant efficiencies. This has lead to the demand for new, further improved engineering materials. The applicability of these materials in the operating power plant environments largely depends on the existence of a protective surface oxide film. Extensive rupture of these films can lead to increased reaction of the underlying metal with environment. Therefore by modifying the composition of the base metal the properties of the surface oxides can be optimised to withstand the new operational environments of interest. To mitigate the risk of detrimental corrosion phenomena of structural materials, mechanistic understanding of the contributing processes is required. This calls for more experimental information and necessitates the development of new experimental techniques and procedures capable of operating in situ in high temperature aqueous environments. The low conductivity of the aqueous medium complicates electrochemical studies on construction and fuel cladding materials carried out in simulated LWR coolant conditions or in actual plant conditions, especially in typical BWR environments. To obtain useful information of reactions and transport processes occurring on and within oxide films on different materials, an electrochemical arrangement based on a thin-layer electrode (TLEC) concept was developed. In this presentation the main results are shown from work carried out to optimise further the geometry of the TLEC arrangement and to propose recommendations for how to use this arrangement in different low-conductivity environments. Results will be also given from the test in which the TLEC arrangement was equipped with a detector electrode. The detector electrode allows detecting soluble products and reaction intermediates at

Aqueous polymer emulsions by chemical modifications of thermosetting alternating polyketones

NARCIS (Netherlands)

Zhang, Youchun; Broekhuis, A. A.; Picchioni, F.

2007-01-01

Aqueous polymer emulsions were prepared by chemical modifications of thermosetting alternating polyketones in a one-pot reaction. Polymeric amines derived from the polyketones can act as polymeric surfactants for the self-emulsification of polyketones. The stability and structure of the emulsions

Ancient aqueous environments at Endeavour crater, Mars

Science.gov (United States)

Arvidson, R. E.; Squyres, S. W.; Bell, J.F.; Catalano, J.G.; Clark, B. C.; Crumpler, L.S.; de Souza, P.A.; Fairén, A.G.; Farrand, W. H.; Fox, V.K.; Gellert, Ralf; Ghosh, A.; Golombeck, M.P.; Grotzinger, J.P.; Guinness, E.A.; Herkenhoff, Kenneth E.; Jolliff, B.L.; Knoll, A.H.; Li, R.; McLennan, S.M.; Ming, D. W.; Mittlefehldt, D. W.; Moore, Johnnie N.; Morris, R.V.; Murchie, S.L.; Parker, T.J.; Paulsen, G.; Rice, J.W.; Ruff, S.W.; Smith, M.D.; Wolff, M.J.

2014-01-01

Opportunity has investigated in detail rocks on the rim of the Noachian age Endeavour crater, where orbital spectral reflectance signatures indicate the presence of Fe+3-rich smectites. The signatures are associated with fine-grained, layered rocks containing spherules of diagenetic or impact origin. The layered rocks are overlain by breccias, and both units are cut by calcium sulfate veins precipitated from fluids that circulated after the Endeavour impact. Compositional data for fractures in the layered rocks suggest formation of Al-rich smectites by aqueous leaching. Evidence is thus preserved for water-rock interactions before and after the impact, with aqueous environments of slightly acidic to circum-neutral pH that would have been more favorable for prebiotic chemistry and microorganisms than those recorded by younger sulfate-rich rocks at Meridiani Planum.

Sorption of toxic metal ions in aqueous environment using ...

African Journals Online (AJOL)

carbodithioate and imidazole-1-carbodithioate were employed as sorbents for heavy metals from aqueous environments. The equilibrating time, initial metal concentrations and sorbent mass for optimal adsorption were 40 min, 5 mg/ℓ and 8 mg, ...

The chemical speciation of technetium in the environment: a literature survey

International Nuclear Information System (INIS)

Sparkes, S.T.; Long, S.E.

1987-07-01

This report reviews the current understanding of the chemical forms and behaviour of technetium in the environment. Technetium (VII) is the dominant species in most systems, however when reducing conditions arise technetium (IV) species predominate. Pertechnetate is a highly mobile ion in aqueous media and can exhibit significant environmental transfer. Technetium (IV) is readily sorbed by sediments and is able to complex with various ligands which subsequently determine its fate. Complexation with high molecular weight organic moieties reduces the availability of technetium although this is not necessarily the case with smaller molecules. In plants, technetium is absorbed as TcO 4 - and can become incorporated into organic molecules. The technetium present in such forms is generally considered less available for uptake by the ingesting animal than aqueous TcO 4 - , although significant transfer of this element has been reported from food into eggs. Areas of potential future interest are suggested. (author)

An investigation on changes in chemical properties of pure ethylene-propylene-diene rubber in aqueous acidic environments

DEFF Research Database (Denmark)

Mitra, S.; Ghanbari-Siahkali, Afshin; Kingshott, Peter

2006-01-01

The influence of two aqueous acidic environments on two types of pure ethylene-propylene-diene (EPDM) rubber (i.e., elastomer) thin films is studied. Attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) results revealed the formation of several oxygenated species...... formation on the surface of EPDM rubbers compared to 20% H2SO4 under identical conditions. Complex formation on the surface of EPDM samples exposed to 20% Cr(VI)/H2SO4 through reactions of carboxylic groups (generated due to EPDM degradation) with Cr(III) (formed due to reduction of Cr(VI)) was also evident...

Controlling wear failure of graphite-like carbon film in aqueous environment: Two feasible approaches

International Nuclear Information System (INIS)

Wang Yongxin; Wang Liping; Xue Qunji

2011-01-01

Friction and wear behaviors of graphite-like carbon (GLC) films in aqueous environment were investigated by a reciprocating sliding tribo-meter with ball-on-disc contact. Film structures and wear scars were studied by scanning electron microscope (SEM), energy dispersive spectroscopy (EDS) and a non-contact 3D surface profiler. A comprehensive wear model of the GLC film in aqueous environment was established, and two feasible approaches to control critical factor to the corresponding wear failure were discussed. Results showed that wear loss of GLC films in aqueous environment was characterized by micro-plough and local delamination. Due to the significant material loss, local delamination of films was critical to wear failure of GLC film in aqueous environment if the film was not prepared properly. The initiation and propagation of micro-cracks within whole films closely related to the occurrence of the films delamination from the interface between interlayer and substrate. The increase of film density by adjusting the deposition condition would significantly reduce the film delamination from substrate, meanwhile, fabricating a proper interlayer between substrate and GLC films to prevent the penetration of water molecules into the interface between interlayer and substrate could effectively eliminate the delamination.

All-oxide Raman-active traps for light and matter: probing redox homeostasis model reactions in aqueous environment.

Science.gov (United States)

Alessandri, Ivano; Depero, L E

2014-04-09

Core-shell colloidal crystals can act as very efficient traps for light and analytes. Here it is shown that Raman-active probes can be achieved using SiO2-TiO2 core-shell beads. These systems are successfully tested in monitoring of glutathione redox cycle at physiological concentration in aqueous environment, without need of any interfering enhancers. These materials represent a promising alternative to conventional, metal-based SERS probes for investigating chemical and biochemical reactions under real working conditions. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Chemical Thermodynamics of Aqueous Atmospheric Aerosols: Modeling and Microfluidic Measurements

Science.gov (United States)

Nandy, L.; Dutcher, C. S.

2017-12-01

Accurate predictions of gas-liquid-solid equilibrium phase partitioning of atmospheric aerosols by thermodynamic modeling and measurements is critical for determining particle composition and internal structure at conditions relevant to the atmosphere. Organic acids that originate from biomass burning, and direct biogenic emission make up a significant fraction of the organic mass in atmospheric aerosol particles. In addition, inorganic compounds like ammonium sulfate and sea salt also exist in atmospheric aerosols, that results in a mixture of single, double or triple charged ions, and non-dissociated and partially dissociated organic acids. Statistical mechanics based on a multilayer adsorption isotherm model can be applied to these complex aqueous environments for predictions of thermodynamic properties. In this work, thermodynamic analytic predictive models are developed for multicomponent aqueous solutions (consisting of partially dissociating organic and inorganic acids, fully dissociating symmetric and asymmetric electrolytes, and neutral organic compounds) over the entire relative humidity range, that represent a significant advancement towards a fully predictive model. The model is also developed at varied temperatures for electrolytes and organic compounds the data for which are available at different temperatures. In addition to the modeling approach, water loss of multicomponent aerosol particles is measured by microfluidic experiments to parameterize and validate the model. In the experimental microfluidic measurements, atmospheric aerosol droplet chemical mimics (organic acids and secondary organic aerosol (SOA) samples) are generated in microfluidic channels and stored and imaged in passive traps until dehydration to study the influence of relative humidity and water loss on phase behavior.

Effects of radiation on the chemical environment surrounding waste canisters in proposed repository sites and possible effects on the corrosion process

International Nuclear Information System (INIS)

Glass, R.S.

1981-12-01

This report explores the interaction of ionizing radiation with various environments. In particular, worst case (aqueous) environments for the proposed nuclear waste repository sites are considered. Emphasis is on the fundamental chemical and physical processes involved. The identities of possible radiolysis products (both transient and stable) have been sought through a literature search. The effect of radiation on corrosion processes is discussed. The radiation-induced chemical environment in the worst case repository sites is not well defined. Attention should therefore be given to fundamental studies exploring the interaction of such environments with components of the nuclear waste package, including the canister materials and backfills. Identification and quantification of radiolysis products would be helpful in this regard

Stability studies of CdSe nanocrystals in an aqueous environment

DEFF Research Database (Denmark)

Xi, Lifei; Lek, Jun Yan; Liang, Yen Nan

2011-01-01

In this paper, CdSe nanocrystal dissolution in an aqueous solution was studied. It was found that light is a key factor affecting the dissolution of nanocrystals. In the presence of light, the electrons generated from CdSe nanocrystals reduce water to hydrogen and hydroxide ions (OH − ) while photo......-generated holes oxidize CdSe to Cd2 + and elemental Se. The dissolution was accelerated in an acidic medium while moderate alkalinity (pH = 10.3) can slow down the dissolution possibly due to precipitation of nanocrystals. This study has strong implications for the use of these crystals in aqueous environments...

Mars aqueous chemistry experiment

Science.gov (United States)

Clark, Benton C.; Mason, Larry W.

1994-06-01

Mars Aqueous Chemistry Experiment (MACE) is designed to conduct a variety of measurements on regolith samples, encompassing mineral phase analyses, chemical interactions with H2O, and physical properties determinations. From these data, much can be learned or inferred regarding the past weathering environment, the contemporaneous soil micro-environments, and the general chemical and physical state of the Martian regolith. By analyzing both soil and duricrust samples, the nature of the latter may become more apparent. Sites may be characterized for comparative purposes and criteria could be set for selection of high priority materials on future sample return missions. The second year of the MACE project has shown significant progress in two major areas. MACE Instrument concept definition is a baseline design that has been generated for the complete MACE instrument, including definition of analysis modes, mass estimates and thermal model. The design includes multiple reagent reservoirs, 10 discrete analysis cells, sample manipulation capability, and thermal control. The MACE Measurement subsystems development progress is reported regarding measurement capabilities for aqueous ion sensing, evolved gas sensing, solution conductivity measurement, reagent addition (titration) capabilities, and optical sensing of suspended particles.

Mars aqueous chemistry experiment

Science.gov (United States)

Clark, Benton C.; Mason, Larry W.

1994-01-01

Mars Aqueous Chemistry Experiment (MACE) is designed to conduct a variety of measurements on regolith samples, encompassing mineral phase analyses, chemical interactions with H2O, and physical properties determinations. From these data, much can be learned or inferred regarding the past weathering environment, the contemporaneous soil micro-environments, and the general chemical and physical state of the Martian regolith. By analyzing both soil and duricrust samples, the nature of the latter may become more apparent. Sites may be characterized for comparative purposes and criteria could be set for selection of high priority materials on future sample return missions. The second year of the MACE project has shown significant progress in two major areas. MACE Instrument concept definition is a baseline design that has been generated for the complete MACE instrument, including definition of analysis modes, mass estimates and thermal model. The design includes multiple reagent reservoirs, 10 discrete analysis cells, sample manipulation capability, and thermal control. The MACE Measurement subsystems development progress is reported regarding measurement capabilities for aqueous ion sensing, evolved gas sensing, solution conductivity measurement, reagent addition (titration) capabilities, and optical sensing of suspended particles.

Identification of the Chemical Constituents in Aqueous Extract of Zhi-Qiao and Evaluation of Its Antidepressant Effect

Directory of Open Access Journals (Sweden)

Ming Wu

2015-04-01

Full Text Available The immature fruit of Citrus aurantium L. (Zhi-Qiao, ZQ has been used as a traditional medicine in China. Our previous study has shown that ZQ decoction may contribute to the antidepressant-like action of Chaihu-Shu-Gan-San. However, there are no reports on the chemical constituents of ZQ aqueous extract or its anti-depression effects. Firstly, this research reported the on-line identification of the chemical constituents in the aqueous extract of ZQ by coupling ultra-performance liquid chromatography/time-of-flight mass spectrometry (UPLC-Q-TOF/MS. A total of 31 chemical constituents were identified in ZQ aqueous extract, including one tannic acid, five flavones, 13 flavanones, one limonoid, three coumarins, three cyclic peptides, and five polymethoxylated flavonoids. The antidepressant effect of ZQ aqueous extract was evaluated in vivo and the results indicated that the mice immobility time during the forced swimming test and the tail suspension test were significantly reduced with ZQ treatment. MTT assays showed both ZQ aqueous extract and its major constituents (naringin, hesperidin, neohesperidin, and nobiletin had neuroprotective effect on corticosterone-induced neurotoxicity in PC12 cells. The in vivo and in vitro results suggest that ZQ has an antidepressant effect.

Aqueous organic chemistry in the atmosphere: sources and chemical processing of organic aerosols.

Science.gov (United States)

McNeill, V Faye

2015-02-03

Over the past decade, it has become clear that aqueous chemical processes occurring in cloud droplets and wet atmospheric particles are an important source of organic atmospheric particulate matter. Reactions of water-soluble volatile (or semivolatile) organic gases (VOCs or SVOCs) in these aqueous media lead to the formation of highly oxidized organic particulate matter (secondary organic aerosol; SOA) and key tracer species, such as organosulfates. These processes are often driven by a combination of anthropogenic and biogenic emissions, and therefore their accurate representation in models is important for effective air quality management. Despite considerable progress, mechanistic understanding of some key aqueous processes is still lacking, and these pathways are incompletely represented in 3D atmospheric chemistry and air quality models. In this article, the concepts, historical context, and current state of the science of aqueous pathways of SOA formation are discussed.

MINEQL, Chemical Equilibrium Composition of Aqueous Systems

International Nuclear Information System (INIS)

Westall, John C.; Zachary, Joseph L.; Morel, Francois M.M.; Parsons, Ralph M.; Schweingruber, M.

1994-01-01

1 - Description of program or function: MINEQL is a subroutine package to calculate equilibrium composition of an aqueous system, accounting for mass transfer. MINEQL-EIR contains an additional base on enthalpy and heat capacity data and has the option to do calculations at temperatures different from 25 degrees C. 2 - Method of solution: In MINEQL, the Gibbs free-energy function is minimized and mass balance chemical reaction equations are solved simultaneously. In MINEQL-EIR, the iteration scheme to solve the system of equations has been improved to make the probability of divergence very small. 3 - Restrictions on the complexity of the problem: MINEQL does not take into account mass transfer of water molecules

Stability studies of CdSe nanocrystals in an aqueous environment

Energy Technology Data Exchange (ETDEWEB)

Xi Lifei; Lek, Jun Yan; Liang, Yen Nan; Zhou Wenwen; Yan Qingyu; Hu Xiao; Chiang, Freddy Boey Yin; Lam, Yeng Ming [School of Materials Science and Engineering, Nanyang Technological University, Nanyang Avenue, 639798 (Singapore); Boothroyd, Chris, E-mail: ymlam@ntu.edu.sg [Center for Electron Nanoscopy, Technical University of Denmark, DK-2800 Kongens Lyngby (Denmark)

2011-07-08

In this paper, CdSe nanocrystal dissolution in an aqueous solution was studied. It was found that light is a key factor affecting the dissolution of nanocrystals. In the presence of light, the electrons generated from CdSe nanocrystals reduce water to hydrogen and hydroxide ions (OH{sup -}) while photo-generated holes oxidize CdSe to Cd{sup 2+} and elemental Se. The dissolution was accelerated in an acidic medium while moderate alkalinity (pH = 10.3) can slow down the dissolution possibly due to precipitation of nanocrystals. This study has strong implications for the use of these crystals in aqueous environments (bioimaging and dye-sensitized solar cells).

Chemical precipitation processes for the treatment of aqueous radioactive waste

International Nuclear Information System (INIS)

1992-01-01

Chemical precipitation by coagulation-flocculation and sedimentation has been commonly used for many years to treat liquid (aqueous) radioactive waste. This method allows the volume of waste to be substantially reduced for further treatment or conditioning and the bulk of the waste to de discharged. Chemical precipitation is usually applied in combination with other methods as part of a comprehensive waste management scheme. As with any other technology, chemical precipitation is constantly being improved to reduce cost to increase the effectiveness and safety on the entire waste management system. The purpose of this report is to review and update the information provided in Technical Reports Series No. 89, Chemical Treatment of Radioactive Wastes, published in 1968. In this report the chemical methods currently in use for the treatment of low and intermediate level aqueous radioactive wastes are described and illustrated. Comparisons are given of the advantages and limitations of the processes, and it is noted that good decontamination and volume reduction are not the only criteria according to which a particular process should be selected. Emphasis has been placed on the need to carefully characterize each waste stream, to examine fully the effect of segregation and the importance of looking at the entire operation and not just the treatment process when planning a liquid waste treatment facility. This general approach includes local requirements and possibilities, discharge authorization, management of the concentrates, ICRP recommendations and economics. It appears that chemical precipitation process and solid-liquid separation techniques will continue to be widely used in liquid radioactive waste treatment. Current research and development is showing that combining different processes in one treatment plant can provide higher decontamination factors and smaller secondary waste arisings. Some of these processes are already being incorporated into new and

Synthesis of antimicrobial silver nanoparticles through a photomediated reaction in an aqueous environment.

Science.gov (United States)

Banasiuk, Rafał; Frackowiak, Joanna E; Krychowiak, Marta; Matuszewska, Marta; Kawiak, Anna; Ziabka, Magdalena; Lendzion-Bielun, Zofia; Narajczyk, Magdalena; Krolicka, Aleksandra

2016-01-01

A fast, economical, and reproducible method for nanoparticle synthesis has been developed in our laboratory. The reaction is performed in an aqueous environment and utilizes light emitted by commercially available 1 W light-emitting diodes (λ =420 nm) as the catalyst. This method does not require nanoparticle seeds or toxic chemicals. The irradiation process is carried out for a period of up to 10 minutes, significantly reducing the time required for synthesis as well as environmental impact. By modulating various reaction parameters silver nanoparticles were obtained, which were predominantly either spherical or cubic. The produced nanoparticles demonstrated strong antimicrobial activity toward the examined bacterial strains. Additionally, testing the effect of silver nanoparticles on the human keratinocyte cell line and human peripheral blood mononuclear cells revealed that their cytotoxicity may be limited by modulating the employed concentrations of nanoparticles.

Protective or damage promoting effect of calcium carbonate layers on the surface of cement based materials in aqueous environments

International Nuclear Information System (INIS)

Schwotzer, M.; Scherer, T.; Gerdes, A.

2010-01-01

Cement based materials permanently exposed to aggressive aqueous environments are subject to chemical changes affecting their durability. However, this holds also for tap water that is considered to be not aggressive to cementitious materials, although in that case a formation of covering layers of CaCO 3 on the alkaline surfaces is commonly supposed to provide protection against reactive transport processes. Thus, investigations of the structural and chemical properties of the material/water interface were carried out in laboratory experiments and case studies to elucidate the consequences of surface reactions for the durability of cement based materials exposed to tap water. Focused Ion Beam investigations revealed that a protective effect of a CaCO 3 covering layer depends on its structural properties, which are in turn affected by the hydro-chemical conditions during crystallization. Surface precipitation of CaCO 3 can trigger further chemical degradation, if the required calcium is supplied by the pore solution of the material.

Synthesis of iron oxide nanoparticles under oxidizing environment and their stabilization in aqueous and non-aqueous media

International Nuclear Information System (INIS)

Maity, D.; Agrawal, D.C.

2007-01-01

Synthesis of magnetite (Fe 3 O 4 ) nanoparticles under oxidizing environment by precipitation from aqueous media is not straightforward because Fe 2+ gets oxidized to Fe 3+ and thus the ratio of Fe 3+ :Fe 2+ =2:1 is not maintained during the precipitation. A molar ratio of Fe 3+ :Fe 2+ smaller than 2:1 has been used by many to compensate for the oxidation of Fe 2+ during the preparation. In this work, we have prepared iron oxide nanoparticles in air environment by the precipitation technique using initial molar ratios Fe 3+ :Fe 2+ ≤2:1. The phases of the resulting powders have been determined by several techniques. It is found that the particles consist mainly of maghemite with little or no magnetite phase. The particles have been suspended in non-aqueous and aqueous media by coating the particles with a single layer and a bilayer of oleic acid, respectively. The particle sizes, morphology and the magnetic properties of the particles and the ferrofulids prepared from these particles are reported. The average particle sizes obtained from the TEM micrographs are 14, 10 and 9 nm for the water, kerosene and dodecane-based ferrofluids, respectively, indicating a better dispersion in the non-aqueous media. The specific saturation magnetization (σ s ) value of the oleic-acid-coated particles (∼53 emu/g) is found to be lower than that for the uncoated particles (∼63 emu/g). Magnetization σ s of the dodecane-based ferrofluid is found to be 10.1 emu/g for a volume fraction of particles φ=0.019. Zero coercivity and zero remanance on the magnetization curves indicate that the particles are superparamagnetic (SPM) in nature

Chemical systems in aqueous solutions for using in the holographic ionizing radiation

International Nuclear Information System (INIS)

Nicolau-Rebigan, S.

1979-01-01

Some types of chemical systems in aqueous solutions for utilization as active media in holographic ionizing radiation dosimeter are presented. One discussed some advantages of the holographic dosimeter comparatively with another existing types. It is outlined the advantages of using aqueousss solutions as active media in holographic dosimeter. (author)

Chapter 7. Monitoring of chemical contamination of the environment and analytical-chemical monitoring

International Nuclear Information System (INIS)

Sojak, L.

2006-01-01

This chapter deals with the monitoring of chemical contamination of the environment and analytical-chemical monitoring. There are presented: the concept o monitoring of the environment of the Slovak Republic; unified monitoring system and complex information about state and development of the environment; analytical methods determination of chemical contaminants in the environment

Optimization of chemical and instrumental parameters in hydride generation laser-induced breakdown spectrometry for the determination of arsenic, antimony, lead and germanium in aqueous samples.

Science.gov (United States)

Yeşiller, Semira Unal; Yalçın, Serife

2013-04-03

A laser induced breakdown spectrometry hyphenated with on-line continuous flow hydride generation sample introduction system, HG-LIBS, has been used for the determination of arsenic, antimony, lead and germanium in aqueous environments. Optimum chemical and instrumental parameters governing chemical hydride generation, laser plasma formation and detection were investigated for each element under argon and nitrogen atmosphere. Arsenic, antimony and germanium have presented strong enhancement in signal strength under argon atmosphere while lead has shown no sensitivity to ambient gas type. Detection limits of 1.1 mg L(-1), 1.0 mg L(-1), 1.3 mg L(-1) and 0.2 mg L(-1) were obtained for As, Sb, Pb and Ge, respectively. Up to 77 times enhancement in detection limit of Pb were obtained, compared to the result obtained from the direct analysis of liquids by LIBS. Applicability of the technique to real water samples was tested through spiking experiments and recoveries higher than 80% were obtained. Results demonstrate that, HG-LIBS approach is suitable for quantitative analysis of toxic elements and sufficiently fast for real time continuous monitoring in aqueous environments. Copyright © 2013 Elsevier B.V. All rights reserved.

Transparent conducting oxide films of group V doped titania prepared by aqueous chemical solution deposition

International Nuclear Information System (INIS)

Elen, Ken; Capon, Boris; De Dobbelaere, Christopher; Dewulf, Daan; Peys, Nick; Detavernier, Christophe; Hardy, An; Van Bael, Marlies K.

2014-01-01

Transparent conducting oxide (TCO) films of titania doped with vanadium (V), niobium (Nb) and tantalum (Ta) are obtained by aqueous Chemical Solution Deposition (CSD). The effect of the dopant on the crystallization and microstructure of the resulting films is examined by means of X-ray diffraction and electron microscopy. During annealing of the thin films, in-situ characterization of the crystal structure and sheet resistance is carried out. Niobium doped anatase films, obtained after annealing in forming gas, show a resistivity of 0,28 Ohm cm, which is the lowest resistivity reported for a solution deposited anatase-based TCO so far. Here, we demonstrate that aqueous CSD may provide a strategy for scalable TCO production in the future. - Highlights: • Aqueous chemical solution deposition of doped titanium dioxide • Doping delays the phase transition from anatase to rutile • Lowest resistivity after doping with niobium and annealing in Forming Gas • Transparency higher than 80% in the visible range of optical spectrum

Transparent conducting oxide films of group V doped titania prepared by aqueous chemical solution deposition

Energy Technology Data Exchange (ETDEWEB)

Elen, Ken [Inorganic and Physical Chemistry, Institute for Materials Research, Hasselt University, Agoralaan Building D, B-3590 Diepenbeek (Belgium); IMEC vzw division IMOMEC, Agoralaan Building D, B-3590 Diepenbeek (Belgium); Strategisch Initiatief Materialen (SIM), SoPPoM Program (Belgium); Capon, Boris [Strategisch Initiatief Materialen (SIM), SoPPoM Programm (Belgium); Coating and Contacting of Nanostructures, Ghent University, Krijgslaan 281 S1, B-9000 Ghent (Belgium); De Dobbelaere, Christopher [Inorganic and Physical Chemistry, Institute for Materials Research, Hasselt University, Agoralaan Building D, B-3590 Diepenbeek (Belgium); Dewulf, Daan [Inorganic and Physical Chemistry, Institute for Materials Research, Hasselt University, Agoralaan Building D, B-3590 Diepenbeek (Belgium); IMEC vzw division IMOMEC, Agoralaan Building D, B-3590 Diepenbeek (Belgium); Peys, Nick [Inorganic and Physical Chemistry, Institute for Materials Research, Hasselt University, Agoralaan Building D, B-3590 Diepenbeek (Belgium); IMEC vzw, Kapeldreef 75, B-3001 Heverlee (Belgium); Detavernier, Christophe [Coating and Contacting of Nanostructures, Ghent University, Krijgslaan 281 S1, B-9000 Ghent (Belgium); Hardy, An [Inorganic and Physical Chemistry, Institute for Materials Research, Hasselt University, Agoralaan Building D, B-3590 Diepenbeek (Belgium); IMEC vzw division IMOMEC, Agoralaan Building D, B-3590 Diepenbeek (Belgium); Van Bael, Marlies K., E-mail: marlies.vanbael@uhasselt.be [Inorganic and Physical Chemistry, Institute for Materials Research, Hasselt University, Agoralaan Building D, B-3590 Diepenbeek (Belgium); IMEC vzw division IMOMEC, Agoralaan Building D, B-3590 Diepenbeek (Belgium)

2014-03-31

Transparent conducting oxide (TCO) films of titania doped with vanadium (V), niobium (Nb) and tantalum (Ta) are obtained by aqueous Chemical Solution Deposition (CSD). The effect of the dopant on the crystallization and microstructure of the resulting films is examined by means of X-ray diffraction and electron microscopy. During annealing of the thin films, in-situ characterization of the crystal structure and sheet resistance is carried out. Niobium doped anatase films, obtained after annealing in forming gas, show a resistivity of 0,28 Ohm cm, which is the lowest resistivity reported for a solution deposited anatase-based TCO so far. Here, we demonstrate that aqueous CSD may provide a strategy for scalable TCO production in the future. - Highlights: • Aqueous chemical solution deposition of doped titanium dioxide • Doping delays the phase transition from anatase to rutile • Lowest resistivity after doping with niobium and annealing in Forming Gas • Transparency higher than 80% in the visible range of optical spectrum.

Agglomeration, isolation and dissolution of commercially manufactured silver nanoparticles in aqueous environments

International Nuclear Information System (INIS)

Elzey, Sherrie; Grassian, Vicki H.

2010-01-01

The increasing use of manufactured nanoparticles ensures these materials will make their way into the environment. Silver nanoparticles in particular, due to use in a wide range of applications, have the potential to get into water systems, e.g., drinking water systems, ground water systems, estuaries, and/or lakes. One important question is what is the chemical and physical state of these nanoparticles in water? Are they present as isolated particles, agglomerates or dissolved ions, as this will dictate their fate and transport. Furthermore, does the chemical and physical state of the nanoparticles change as a function of size or differ from micron-sized particles of similar composition? In this study, an electrospray atomizer coupled to a scanning mobility particle sizer (ES-SMPS) is used to investigate the state of silver nanoparticles in water and aqueous nitric acid environments. Over the range of pH values investigated, 0.5-6.5, silver nanoparticles with a bimodal primary particle size distribution with the most intense peak at 5.0 ± 7.4 nm, as determined from transmission electron microscopy (TEM), show distinct size distributions indicating agglomeration between pH 6.5 and 3 and isolated nanoparticles at pH values from 2.5 to 1. At the lowest pH investigated, pH 0.5, there are no peaks detected by the SMPS, indicating complete nanoparticle dissolution. Further analysis of the solution shows dissolved Ag ions at a pH of 0.5. Interestingly, silver nanoparticle dissolution shows size dependent behavior as larger, micron-sized silver particles show no dissolution at this pH. Environmental implications of these results are discussed.

Agglomeration, isolation and dissolution of commercially manufactured silver nanoparticles in aqueous environments

Energy Technology Data Exchange (ETDEWEB)

Elzey, Sherrie; Grassian, Vicki H., E-mail: vicki-grassian@uiowa.ed [University of Iowa, Department of Chemical and Biochemical Engineering (United States)

2010-06-15

The increasing use of manufactured nanoparticles ensures these materials will make their way into the environment. Silver nanoparticles in particular, due to use in a wide range of applications, have the potential to get into water systems, e.g., drinking water systems, ground water systems, estuaries, and/or lakes. One important question is what is the chemical and physical state of these nanoparticles in water? Are they present as isolated particles, agglomerates or dissolved ions, as this will dictate their fate and transport. Furthermore, does the chemical and physical state of the nanoparticles change as a function of size or differ from micron-sized particles of similar composition? In this study, an electrospray atomizer coupled to a scanning mobility particle sizer (ES-SMPS) is used to investigate the state of silver nanoparticles in water and aqueous nitric acid environments. Over the range of pH values investigated, 0.5-6.5, silver nanoparticles with a bimodal primary particle size distribution with the most intense peak at 5.0 {+-} 7.4 nm, as determined from transmission electron microscopy (TEM), show distinct size distributions indicating agglomeration between pH 6.5 and 3 and isolated nanoparticles at pH values from 2.5 to 1. At the lowest pH investigated, pH 0.5, there are no peaks detected by the SMPS, indicating complete nanoparticle dissolution. Further analysis of the solution shows dissolved Ag ions at a pH of 0.5. Interestingly, silver nanoparticle dissolution shows size dependent behavior as larger, micron-sized silver particles show no dissolution at this pH. Environmental implications of these results are discussed.

Iron Oxide Deposition from Aqueous Solution and Iron Formations on Mars

Science.gov (United States)

Catling, David; Moore, Jeff

2000-01-01

Iron formations are ancient, laminated chemical sediments containing at least 15 wt% Fe. We discuss possible mechanisms for their formation in aqueous environments on early Mars. Such iron oxide deposits may be detectable today.

Chemical metallization of KMPR photoresist polymer in aqueous solutions

Science.gov (United States)

Zeb, Gul; Duong, Xuan Truong; Vu, Ngoc Pi; Phan, Quang The; Nguyen, Duc Tuong; Ly, Viet Anh; Salimy, Siamak; Le, Xuan Tuan

2017-06-01

While conventional methods for preparing thin films of metals and metallic alloys on insulating substrates in the field of microelectromechanical systems (MEMS) include vapor deposition techniques, we demonstrate here that electroless deposition can be considered as an alternate efficient approach to metallize the surface of insulating substrates, such as KMPR epoxy photoresist polymer. In comparison with the physical and chemical vapor deposition methods, which are well-established for metallization of photoresist polymers, our electroless nickel plating requires only immersing the substrates into aqueous solutions in open air at low temperatures. Thin films of nickel alloy have been deposited electrolessly on KMPR surface, through a cost-effective and environmental chromium-free process, mediated through direct grafting of amine palladium complexes in aqueous medium. This covalent organic coating provides excellent adhesion between KMPR and the nickel film and allows better control of the palladium catalyst content. Covalent grafting and characterization of the deposited nickel film have been carried out by means of Fourier-transform infrared spectroscopy, scanning electron microscopy, energy-dispersive X-ray spectroscopy and X-ray photoelectron spectroscopy techniques.

Chemical influences of the environment

Energy Technology Data Exchange (ETDEWEB)

Carr, D J

1961-01-01

It is possible to consider the chemical effects of the environment in various ways. A distinction can be made, for instance, between chemical and physicochemical effects. The latter would include such phenomena as osmotic pressure, pH, adsorption phenomena and redox potentials. Of these, pH is so universally involved in physiological experiments as to render any treatment of its effects almost superfluous. The measurement and interpretation of redox potentials is so fraught with difficulties that they are of real value only with systems which can be simplified to a few chemical components. In this study of the effects of chemicals on plant growth and development, only such chemicals as occur in natural environments where plants grow will be considered. The effects of synthetic hormones or of fertilizers will, therefore, be neglected, but some attention must be given to certain gases which, as pollutants, must be considered as part of the atmosphere of any industrialized country. They are O/sub 3/, CO, and ethylene.

Synthesis of antimicrobial silver nanoparticles through a photomediated reaction in an aqueous environment

Directory of Open Access Journals (Sweden)

Banasiuk R

2016-01-01

Full Text Available Rafał Banasiuk,1,* Joanna E Frackowiak,2,* Marta Krychowiak,1 Marta Matuszewska,1 Anna Kawiak,1 Magdalena Ziabka,3 Zofia Lendzion-Bielun,4 Magdalena Narajczyk,5 Aleksandra Krolicka1 1Department of Biotechnology, Intercollegiate Faculty of Biotechnology, University of Gdansk and Medical University of Gdansk, 2Department of Pathophysiology, Medical University of Gdansk, Gdansk, 3Faculty of Materials Science and Ceramics, Department of Ceramics and Refractories, AGH-University of Science and Technology, Kraków, 4Institute of Chemical and Environment Engineering, West Pomeranian University of Technology, Szczecin, 5Faculty of Biology, Laboratory of Electron Microscopy, University of Gdansk, Gdansk, Poland *These authors contributed equally to this work Abstract: A fast, economical, and reproducible method for nanoparticle synthesis has been developed in our laboratory. The reaction is performed in an aqueous environment and utilizes light emitted by commercially available 1 W light-emitting diodes (λ =420 nm as the catalyst. This method does not require nanoparticle seeds or toxic chemicals. The irradiation process is carried out for a period of up to 10 minutes, significantly reducing the time required for synthesis as well as environmental impact. By modulating various reaction parameters silver nanoparticles were obtained, which were predominantly either spherical or cubic. The produced nanoparticles demonstrated strong antimicrobial activity toward the examined bacterial strains. Additionally, testing the effect of silver nanoparticles on the human keratinocyte cell line and human peripheral blood mononuclear cells revealed that their cytotoxicity may be limited by modulating the employed concentrations of nanoparticles. Keywords: antimicrobial activity, green synthesis, nanocubes, nanospheres 

Radiolytic effect on the chemical state of iodine in aqueous solution

International Nuclear Information System (INIS)

Shiraishi, H.; Kimiya, T.; Ohmae, M.; Ishigure, K.

1988-01-01

The oxidation state of iodine dissolved in an aqueous solution is easily changed in the presence of radiation field. Hence, it is essential to take the radiolytic effect into account when one is to estimate chemical forms of iodine after being released into the containment under an LOCA condition. This paper summarizes results of γ-radiolysis experiments on aqueous solutions containing iodine species, which have been carried out to extend the previously reported study on the same system. Variation in iodine product distribution with time has been examined as before, utilizing a flow system under irradiation. Attention has been paid to the effect of oxygen, to that of an initial oxidation state of iodine, and to the influence of temperature. Some kinetic analysis on the system was also undertaken

Effect of textural and chemical characteristics of activated carbons on phenol adsorption in aqueous solutions

OpenAIRE

Vargas Diana P.; Giraldo Liliana; Moreno-Piraján Juan Carlos

2017-01-01

The effect of textural and chemical properties such as: surface area, pore volume and chemical groups content of the granular activated carbon and monoliths on phenol adsorption in aqueous solutions was studied. Granular activated carbon and monolith samples were produced by chemical activation. They were characterized by using N2 adsorption at 77 K, CO2 adsorption at 273 K, Boehm Titrations and immersion calorimetry in phenol solutions. Microporous materials with different pore size distribu...

Chemical dosimetry by UV spectrophotometry of aqueous ascorbic acid solutions

International Nuclear Information System (INIS)

Alian, A.; El-Assay, N.B.; Abdel-Rehim, F.; Amin, N.E.; McLaughlin, W.L.; Roushdy, H.

1984-01-01

The decrease in the ultraviolet absorption of aqueous solutions of ascorbic acid brought about by large doses of gamma radiation has been investigated as a means of developing a new chemical dosimeter. Because of spontaneous ring opening under various conditions after dissolution in water, some additives were examined as possible stabilizers against such denaturing of aqueous ascorbic acid. At an ascorbic acid concentration of 10 -4 M, either 1 to 2% glycine or 0.2 M NaCl was found to be a good stabilizer. A mechanism of radiation chemistry has been proposed based on hydroxyl radical and hydroxyl adduct intermediates, leading to dehydroascorbic acid through the ascorbate complex. The optimum dosimeter solution covers an absorbed dose range approx. 50 to 350 Gy, when measured at 264 nm wavelength. The G-values for dehydroascorbic acid production were determined to be 2.94 +- 0.33 and 2.43 +- 0.11 (100 eV) -1 , with glycine and NaCl used respectively as stabilizers. (author)

Aqueous media treatment and decontamination of hazardous chemical and biological substances by contact plasma

International Nuclear Information System (INIS)

Pivovarov, A.; Kravchenko, A.; Kublanovsky, V.

2009-01-01

Usage of non-equilibrium contact plasma for processes of decontamination and neutralization in conditions of manifestation of chemical, biological and radiation terrorism takes on special significance due to portability of equipment and its mobility in places where toxic liquid media hazardous for people's health are located. Processes of decontamination of aqueous media, seminated with pathogenic microorganisms and viruses, treatment of water containing toxic heavy metals, cyanides, surface-active substances, and heavy radioactive elements, are investigated. Examples of activation processes in infected water and toxic aqueous solutions present convincing evidence of the way, how new quality technological approach for achievement of high enough degree of the said media treatment is used in each specific case. Among new properties of water activated as a result of action of non-equilibrium contact plasma, it is necessary to mention presence of cluster structure, confirmed by well-known spectral and physical-chemical methods, presence of peroxide compounds, active particles and radicals. Anti-microbial activity which is displayed under action of plasma in aqueous media (chemically pure water, drinking water, aqueous solutions of sodium chloride, potassium iodide, as well as other inorganic compounds) towards wide range of pathogenic and conventionally pathogenic microorganisms allows use them as reliable, accessible and low-cost preparations for increasing the degree of safety of food products. Combination of such processes with known methods of filtration and ultra-filtration gives an efficient and available complex capable of withstanding any threats, which may arise for population and living organisms. Present-day level of machine-building, electrical engineering, and electronics allows predict creation of industrial plasma installations, adapted to conditions of various terrorist threats, with minimized power consumption and optimized technological parameters

Aqueous media treatment and decontamination of hazardous chemical and biological substances by contact plasma

Energy Technology Data Exchange (ETDEWEB)

Pivovarov, A; Kravchenko, A [Ukrainian State University of Chemical Engineering, Dnepropetrovsk (Ukraine); Kublanovsky, V [V. I. Vernadsky Institute of General and Inorganic Chemistry of National Academy of Science, Kiev (Ukraine)

2009-07-01

Usage of non-equilibrium contact plasma for processes of decontamination and neutralization in conditions of manifestation of chemical, biological and radiation terrorism takes on special significance due to portability of equipment and its mobility in places where toxic liquid media hazardous for people's health are located. Processes of decontamination of aqueous media, seminated with pathogenic microorganisms and viruses, treatment of water containing toxic heavy metals, cyanides, surface-active substances, and heavy radioactive elements, are investigated. Examples of activation processes in infected water and toxic aqueous solutions present convincing evidence of the way, how new quality technological approach for achievement of high enough degree of the said media treatment is used in each specific case. Among new properties of water activated as a result of action of non-equilibrium contact plasma, it is necessary to mention presence of cluster structure, confirmed by well-known spectral and physical-chemical methods, presence of peroxide compounds, active particles and radicals. Anti-microbial activity which is displayed under action of plasma in aqueous media (chemically pure water, drinking water, aqueous solutions of sodium chloride, potassium iodide, as well as other inorganic compounds) towards wide range of pathogenic and conventionally pathogenic microorganisms allows use them as reliable, accessible and low-cost preparations for increasing the degree of safety of food products. Combination of such processes with known methods of filtration and ultra-filtration gives an efficient and available complex capable of withstanding any threats, which may arise for population and living organisms. Present-day level of machine-building, electrical engineering, and electronics allows predict creation of industrial plasma installations, adapted to conditions of various terrorist threats, with minimized power consumption and optimized technological parameters

Chemical treatment of coal by grinding and aqueous caustic leaching

Energy Technology Data Exchange (ETDEWEB)

Balaz, P.; LaCount, R.B.; Kern, D.G.; Turcaniova, L. [Slovak Academy of Sciences, Kosice (Slovakia). Inst. of Geotechnics

2001-04-01

The aim of this work has been to point out the possibility of using GACL process for chemical cleaning of brown coal Nivaky (Slovakia) and Pittsburgh coal. Simultaneous grinding and aqueous chemical leaching, which is the principle of the process, reduces the inorganic and inorganic sulfur content in both coals. Dearsenificiation nearly up to 96% is detected in GACL-treated samples of Novaky coal. The possibility of enhancing the recovery of humic acid as a consequence of GACL treatment is demonstrated. The process under study works under atmospheric pressure, temperature of 90{degree}C and NaOH consumption, which is six times lower compared with the MCL process. Further research is needed to minimize the wear of grinding media and to improve the washing step. 24 refs., 7 figs., 3 tabs.

Sedimentation behaviour and colloidal properties of porous, chemically modified silicas in non-aqueous solvents

NARCIS (Netherlands)

Vissers, J.P.C.; Laven, J.; Claessens, H.A.; Cramers, C.A.M.G.; Agterof, W.G.M.

1997-01-01

The sedimentation behaviour and colloidal properties of porous, chemically modified silicas dispersed in non-aqueous solvents have been studied. The free settling behaviour of non-aggregated silica suspensions could effectively be described with a modified Stokes equation that takes into account the

KDP Aqueous Solution-in-Oil Microemulsion for Ultra-Precision Chemical-Mechanical Polishing of KDP Crystal

Directory of Open Access Journals (Sweden)

Hui Dong

2017-03-01

Full Text Available A novel functional KH2PO4 (KDP aqueous solution-in-oil (KDP aq/O microemulsion system for KDP crystal ultra-precision chemical-mechanical polishing (CMP was prepared. The system, which consisted of decanol, Triton X-100, and KH2PO4 aqueous solution, was available at room temperature. The functional KDP aq/O microemulsion system was systematically studied and applied as polishing solution to KDP CMP technology. In this study, a controlled deliquescent mechanism was proposed for KDP polishing with the KDP aq/O microemulsion. KDP aqueous solution, the chemical etchant in the polishing process, was caged into the micelles in the microemulsion, leading to a limitation of the reaction between the KDP crystal and KDP aqueous solution only if the microemulsion was deformed under the effect of the external force. Based on the interface reaction dynamics, KDP aqueous solutions with different concentrations (cKDP were applied to replace water in the traditional water-in-oil (W/O microemulsion. The practicability of the controlled deliquescent mechanism was proved by the decreasing material removal rate (MRR with the increasing of the cKDP. As a result, the corrosion pits on the KDP surface were avoided to some degree. Moreover, the roughnesses of KDP with KDP aq/O microemulsion (cKDP was changed from 10 mM to 100 mM as polishing solutions were smaller than that with the W/O microemulsion. The smallest surface root-mean-square roughness of 1.5 nm was obtained at a 30 mmol/L KDP aq solution, because of the most appropriate deliquescent rate and MRR.

The properties and transport phenomena in oxide films on iron, nickel, chromium and their alloys in aqueous environments

International Nuclear Information System (INIS)

Laitinen, T.; Bojinov, M.; Betova, I.; Maekelae, K.; Saario, T.

1999-01-01

The construction materials used in coolant systems in nuclear power plants become covered with oxide films as a result of exposure to the aqueous environment. The susceptibility of the materials to different forms of corrosion, as well as the extent of the incorporation of radioactive species on the surfaces of the primary circuit, are greatly influenced by the physical and chemical properties of these oxide films. The composition and characteristics of the oxide films in turn depend on the applied water chemistry. This work was undertaken in order to collect and evaluate the present views on the structure and behaviour of oxide films formed on iron- and nickel-based materials in aqueous environments. This survey should serve to recognise the areas in which more understanding and research effort is needed. The review begins with a discussion on the bulk oxides of iron, nickel and chromium, as well as their mixed oxides. In addition to bulk oxides, the structure and properties of oxide films forming on pure iron, nickel and chromium and on iron- and nickel-based engineering alloys are considered. General approaches to model the structure and growth of oxide films on metals are discussed in detail. The specific features of the oxide structures, properties and growth at high temperatures are presented with special focus on the relevance of existing models. Finally, the role of oxide films in localised corrosion, oxide breakdown pitting. Stress corrosion cracking and related phenomena is considered. The films formed on the surfaces of iron- and nickel-based alloys in high-temperature aqueous environments generally comprise two layers, i.e. the so-called duplex structure. The inner part is normally enriched in chromium and has a more compact structure, while the outer part is enriched in iron and has a cracked or porous structure. The information collected clearly indicates the effect of the chemical environment on the properties of oxide films growing on metal surfaces

The properties and transport phenomena in oxide films on iron, nickel, chromium and their alloys in aqueous environments

Energy Technology Data Exchange (ETDEWEB)

Laitinen, T.; Bojinov, M.; Betova, I.; Maekelae, K.; Saario, T. [VTT Manufacturing Technology, Espoo (Finland)

1999-01-01

The construction materials used in coolant systems in nuclear power plants become covered with oxide films as a result of exposure to the aqueous environment. The susceptibility of the materials to different forms of corrosion, as well as the extent of the incorporation of radioactive species on the surfaces of the primary circuit, are greatly influenced by the physical and chemical properties of these oxide films. The composition and characteristics of the oxide films in turn depend on the applied water chemistry. This work was undertaken in order to collect and evaluate the present views on the structure and behaviour of oxide films formed on iron- and nickel-based materials in aqueous environments. This survey should serve to recognise the areas in which more understanding and research effort is needed. The review begins with a discussion on the bulk oxides of iron, nickel and chromium, as well as their mixed oxides. In addition to bulk oxides, the structure and properties of oxide films forming on pure iron, nickel and chromium and on iron- and nickel-based engineering alloys are considered. General approaches to model the structure and growth of oxide films on metals are discussed in detail. The specific features of the oxide structures, properties and growth at high temperatures are presented with special focus on the relevance of existing models. Finally, the role of oxide films in localised corrosion, oxide breakdown pitting. Stress corrosion cracking and related phenomena is considered. The films formed on the surfaces of iron- and nickel-based alloys in high-temperature aqueous environments generally comprise two layers, i.e. the so-called duplex structure. The inner part is normally enriched in chromium and has a more compact structure, while the outer part is enriched in iron and has a cracked or porous structure. The information collected clearly indicates the effect of the chemical environment on the properties of oxide films growing on metal surfaces

Mechanisms of Copper Corrosion in Aqueous Environments. A report from the Swedish National Council for Nuclear Waste's scientific workshop, on November 16, 2009

International Nuclear Information System (INIS)

2010-01-01

In 2010 the Swedish Nuclear Fuel and Waste Management Company, SKB, plans to submit its license application for the final repository of spent nuclear fuel. The proposed method is the so-called KBS-3 method and implies placing the spent nuclear fuel in copper canisters, surrounded by a buffer of bentonite clay, at 500 m depth in the bedrock. The site selected by SKB to host the repository is located in the municipality of Oesthammar on the Swedish east coast. The copper canister plays a key role in the design of the repository for spent nuclear fuel in Sweden. The long-term physical and chemical stability of copper in aqueous environments is fundamental for the safety evolution of the proposed disposal concept. However, the corrosion resistance of copper has been questioned by results obtained under anoxic conditions in aqueous solution. These observations caused some head-lines in the Swedish newspapers as well as public and political concerns. Consequently, the Swedish National Council for Nuclear Waste organized a scientific workshop on the issue 'Mechanisms of Copper Corrosion in Aqueous Environments'. The purpose of the workshop was to address the fundamental understanding of the corrosion characteristics of copper regarding oxygen-free environments, and to identify what additional information is needed to assess the validity of the proposed corrosion mechanism and its implication on the containment of spent nuclear fuel in a copper canister. This seminar report is based on the presentations and discussions at the workshop. It also includes written statements by the members of the expert panel

Effects of aqueous environment on long-term durability of phosphate-bonded ceramic waste forms

International Nuclear Information System (INIS)

Singh, D.; Wagh, A.S.; Jeong, S.Y.

1996-01-01

Over the last few years, Argonne National Laboratory has been developing room-temperature-setting chemically-bonded phosphate ceramics for solidifying and stabilizing low-level mixed wastes. This technology is crucial for stabilizing waste streams that contain volatile species and off-gas secondary waste streams generated by high-temperature treatment of such wastes. Magnesium phosphate ceramic has been developed to treat mixed wastes such as ash, salts, and cement sludges. Waste forms of surrogate waste streams were fabricated by acid-base reactions between the mixtures of magnesium oxide powders and the wastes, and phosphoric acid or acid phosphate solutions. Dense and hard ceramic waste forms are produced in this process. The principal advantage of this technology is that the contaminants are immobilized by both chemical stabilization and subsequent microencapsulation of the reaction products. This paper reports the results of durability studies conducted on waste forms made with ash waste streams spiked with hazardous and radioactive surrogates. Standard leaching tests such as ANS 16.1 and TCLP were conducted on the final waste forms. Fates of the contaminants in the final waste forms were established by electron microscopy. In addition, stability of the waste forms in aqueous environments was evaluated with long-term water-immersion tests

Modeling photodegradation kinetics of three systemic neonicotinoids-dinotefuran, imidacloprid, and thiamethoxam-in aqueous and soil environment.

Science.gov (United States)

Kurwadkar, Sudarshan; Evans, Amanda; DeWinne, Dustan; White, Peter; Mitchell, Forrest

2016-07-01

Environmental presence and retention of commonly used neonicotinoid insecticides such as dinotefuran (DNT), imidacloprid (IMD), and thiamethoxam (THM) are a cause for concern and prevention because of their potential toxicity to nontarget species. In the present study the kinetics of the photodegradation of these insecticides were investigated in water and soil compartments under natural light conditions. The results suggest that these insecticides are fairly unstable in both aqueous and soil environments when exposed to natural sunlight. All 3 insecticides exhibit strong first-order degradation rate kinetics in the aqueous phase, with rate constants kDNT , kIMD , and kTHM of 0.20 h(-1) , 0.30 h(-1) , and 0.18 h(-1) , respectively. However, in the soil phase, the modeled photodegradation kinetics appear to be biphasic, with optimal rate constants k1DNT and k2DNT of 0.0198 h(-1) and 0.0022 h(-1) and k1THM and k2THM of 0.0053 h(-1) and 0.0014 h(-1) , respectively. Differentially, in the soil phase, imidacloprid appears to follow the first-order rate kinetics with a kIMD of 0.0013 h(-1) . These results indicate that all 3 neonicotinoids are photodegradable, with higher degradation rates in aqueous environments relative to soil environments. In addition, soil-encapsulated imidacloprid appears to degrade slowly compared with dinotefuran and thiamethoxam and does not emulate the faster degradation rates observed in the aqueous phase. Environ Toxicol Chem 2016;35:1718-1726. © 2015 SETAC. © 2015 SETAC.

Aqueous solubility, dispersibility and toxicity of biodiesels

International Nuclear Information System (INIS)

Hollebone, B.P.; Fieldhouse, B.; Lumley, T.C.; Landriault, M.; Doe, K.; Jackman, P.

2007-01-01

The renewed interest in the use of biological fuels can be attributed to that fact that feedstocks for fatty-acid ester biodiesels are renewable and can be reclaimed from waste. Although there are significant benefits to using biodiesels, their increased use leaves potential for accidental release to the environment. Therefore, their environmental behaviours and impacts must be evaluated along with the risk associated with their use. Biodiesel fuels may be made from soy oil, canola oil, reclaimed restaurant grease, fish oil and animal fat. The toxicological fate of biofuel depends on the variability of its chemical composition. This study provided an initial assessment of the aqueous fate and effects of biodiesel from a broad range of commonly available feedstocks and their blends with petroleum diesels. The study focused primarily on the fate and impact of these fuels in fresh-water. The use of chemical dispersion as a countermeasure for saltwater was also investigated. The exposure of aquatic ecosystems to biodiesels and petroleum diesel occurs via the transfer of material from the non-aqueous phase liquid (NAPL) into the aqueous phase, as both soluble and dispersed components. The aqueous solubilities of the fuels were determined from the equilibrium water-accommodated fraction concentrations. The acute toxicities of many biodiesels were reported for 3 test species used by Environment Canada for toxicological evaluation, namely rainbow trout, the water flea and a luminescent bacterium. This study also evaluated the natural potential for dispersion of the fuels in the water column in both low and high-energy wave conditions. Chemical dispersion as a potential countermeasure for biodiesel spills was also evaluated using solubility testing, acute toxicity testing, and dispersibility testing. It was shown that biodiesels have much different fates and impacts from petroleum diesels. The compounds partitioning into the water column are also very different for each

Lignin solubilization and aqueous phase reforming for the production of aromatic chemicals and hydrogen

NARCIS (Netherlands)

Zakzeski, J.|info:eu-repo/dai/nl/326160256; Weckhuysen, B.M.|info:eu-repo/dai/nl/285484397

2011-01-01

The solubilization and aqueous phase reforming of lignin, including kraft, soda, and alcell lignin along with sugarcane bagasse, at low temperatures (T≤498 K) and pressures (P≤29 bar) is reported for the first time for the production of aromatic chemicals and hydrogen. Analysis of lignin model

Recent Progress in Molecular Simulation of Aqueous Electrolytes: Force Fields, Chemical Potentials and Solubility.

Czech Academy of Sciences Publication Activity Database

Nezbeda, Ivo; Moučka, F.; Smith, W.R.

2016-01-01

Roč. 114, č. 11 (2016), s. 1665-1690 ISSN 0026-8976 R&D Projects: GA ČR GA15-19542S Grant - others:NSERC(CA) OGP1041 Institutional support: RVO:67985858 Keywords : force fields * chemical potentials * aqueous electrolytes Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.870, year: 2016

Chemically modified Moringa oleifera seed husks as low cost adsorbent for removal of copper from aqueous solution

Science.gov (United States)

Ghafar, Faridah; Mohtar, Aminullah; Sapawe, Norzahir; Hadi, Norulakmal Nor; Salleh, Marmy Roshaidah Mohd

2017-12-01

Moringa oleifera husks (MOH) are an agricultural byproduct that may have potential as adsorbent for removal of heavy metal ions in wastewater such as copper (Cu2+). The release of Cu2+ to the environment by the mining and electroplating industries cause a major problem because it is toxic and can cause liver and kidney problems. Hence, it is important to remove copper before the wastewater can be discharged to the environment. In order to increase the adsorption capacity, the MOH was chemically modified using citric acid. The raw and modified MOH were analyzed using Fourier Transform Infra-Red (FTIR) for identification of functional groups present at the adsorbent surface. The adsorption study was carried out using the batch technique in water bath shaker investigating different parameters; adsorbent dosage (30 - 70 g/L), initial concentration of copper (30 - 150 mg/L), contact time (2 - 90 min), temperature (27 - 60 °C) at constant agitation of 100 rpm. The concentrations of copper in aqueous solution before and after the adsorption process was analyzed using Atomic Absorption Spectrum (AAS). The highest percentage removal of copper was found at 10g/L of adsorbent dosage with 30 mg/L of initial concentration and temperature 30 °C. It was also observed that the adsorption of copper by MOH was approaching to equilibrium at 60 min of reaction time. From the FTIR analysis, it was found that the MOH contains hydroxyl, carboxyl and amine groups. The high adsorption capacity of modified MOH to remove copper from aqueous solution makes it preferable and attractive alternative to commercial adsorbent.

The chemical industry - friend to the environment?

International Nuclear Information System (INIS)

1992-01-01

''The Chemical Industry - Friend to the Environment?'' was a symposium organised by the North East Region committee of the Industrial Division of the Royal Society of Chemistry. This volume contains typescripts from all the lectures given at the symposium. The general public appreciate the material comforts the Chemical Industry provides, for example textiles, ceramics, steel, speciality chemicals, drugs, prosthetics etc. However, for many their comfort is spoiled by the chemical poisoning of the environment through slag heaps, beaches and countryside littered with non-biodegradable unsightly plastic containers, poor air quality through NO x , CO 2 and chlorofluorocarbon emissions, and of course, nuclear waste. The occasional spillage of hazardous chemicals through road, rail and sea accidents do nothing to improve the Industry's image. The majority of these topics were discussed, though no one presumed to know how to remove the problems entirely but many suggestions were put forward as to how this might be achieved. Of the 13 papers presented three were specifically concerned with recycling of plastics, 9 with the environmental impacts of chemicals and one, which is indexed separately, was concerned with radioactive discharges into the environment from the Sellafield reprocessing plant. (Author)

The Properties Of And Transport Phenomena In Oxide Films On Iron, Nickel, Chromium And Their Alloys In Aqueous Environments

International Nuclear Information System (INIS)

Saario, T.; Laitinen, T.; Maekelae, K.; Bojinov, M.; Betova, I.

1998-07-01

The construction materials used in coolant systems in nuclear power plants become covered with oxide films as a result of exposure to the aqueous environment. The susceptibility of the materials to different forms of corrosion, as well as the extent of the incorporation of radioactive species on the surfaces of the primary circuit, are greatly influenced by the physical and chemical properties of these oxide films. The composition and characteristics of the oxide films in turn depend on the applied water chemistry. This work was undertaken in order to collect and evaluate the present views on the structure and behaviour of oxide films formed on iron- and nickel-based materials in aqueous environments. This survey should serve to recognise the areas in which more understanding and research effort is needed. The review begins with a discussion on the bulk oxides of iron, nickel and chromium, as well as their mixed oxides. In addition to bulk oxides, the structure and properties of oxide films forming on pure iron, nickel and chromium and on iron- and nickel-based engineering alloys are considered. General approaches to model the structure and growth of oxide films on metals are discussed in detail. The specific features of the oxide structures, properties and growth at high temperatures are presented with special focus on the relevance of existing models. Finally, the role of oxide films in localised corrosion, oxide breakdown, pitting, stress corrosion cracking and related phenomena is considered. The films formed on the surfaces of iron- and nickel-based alloys in high-temperature aqueous environments generally comprise two layers, i.e. the so-called duplex structure. The inner part is normally enriched in chromium and has a more dense structure, while the outer part is enriched in iron and has a cracked or porous structure. The information collected clearly indicates the effect of the chemical environment on the properties of oxide films growing on metal surfaces

Creating Nanoscale Pits on Solid Surfaces in Aqueous Environment with Scanning Tunnelling Microscopy

DEFF Research Database (Denmark)

Chi, Qijin; Zhang, Jingdong; Friis, Esben P.

2000-01-01

of the pits can be controlled well in aqueous environments, and the operations are simple. Parameters affecting the pit formation and size have been systematically characterized to show that pit formation is dominated by bias voltage. A mechanism is proposed based on local surface reconstruction induced...

Effect of Heterogeneous Chemical Reactions on the Köhler Activation of Aqueous Organic Aerosols.

Science.gov (United States)

Djikaev, Yuri S; Ruckenstein, Eli

2018-05-03

We study some thermodynamic aspects of the activation of aqueous organic aerosols into cloud droplets considering the aerosols to consist of liquid solution of water and hydrophilic and hydrophobic organic compounds, taking into account the presence of reactive species in the air. The hydrophobic (surfactant) organic molecules on the surface of such an aerosol can be processed by chemical reactions with some atmospheric species; this affects the hygroscopicity of the aerosol and hence its ability to become a cloud droplet either via nucleation or via Köhler activation. The most probable pathway of such processing involves atmospheric hydroxyl radicals that abstract hydrogen atoms from hydrophobic organic molecules located on the aerosol surface (first step), the resulting radicals being quickly oxidized by ubiquitous atmospheric oxygen molecules to produce surface-bound peroxyl radicals (second step). These two reactions play a crucial role in the enhancement of the Köhler activation of the aerosol and its evolution into a cloud droplet. Taking them and a third reaction (next in the multistep chain of relevant heterogeneous reactions) into account, one can derive an explicit expression for the free energy of formation of a four-component aqueous droplet on a ternary aqueous organic aerosol as a function of four independent variables of state of a droplet. The results of numerical calculations suggest that the formation of cloud droplets on such (aqueous hydrophilic/hydrophobic organic) aerosols is most likely to occur as a Köhler activation-like process rather than via nucleation. The model allows one to determine the threshold parameters of the system necessary for the Köhler activation of such aerosols, which are predicted to be very sensitive to the equilibrium constant of the chain of three heterogeneous reactions involved in the chemical aging of aerosols.

Reactor coolant system and containment aqueous chemistry

International Nuclear Information System (INIS)

Torgerson, D.F.

1986-01-01

Fission products released from fuel during reactor accidents can be subject to a variety of environments that will affect their ultimate behavior. In the reactor coolant system (RCS), for example, neutral or reducing steam conditions, radiation, and surfaces could all have an effect on fission product retention and chemistry. Furthermore, if water is encountered in the RCS, the high temperature aqueous chemistry of fission products must be assessed to determine the quantity and chemical form of fission products released to the containment building. In the containment building, aqueous chemistry will determine the longer-term release of volatile fission products to the containment atmosphere. Over the past few years, the principles of physical chemistry have been rigorously applied to the various chemical conditions described above. This paper reviews the current state of knowledge and discusses the future directions of chemistry research relating to the behavior of fission products in the RCS and containment

Design of molecular imprinted polymers compatible with aqueous environment.

Science.gov (United States)

Piletska, Elena V; Guerreiro, Antonio R; Romero-Guerra, Maria; Chianella, Iva; Turner, Anthony P F; Piletsky, Sergey A

2008-01-21

The main problem of poor water compatibility of molecularly imprinted polymers (MIPs) was addressed in examples describing design of synthetic receptors with high affinity for drugs of abuse. An extensive potentiometric titration of 10 popular functional monomers and corresponding imprinted and blank polymers was conducted in order to evaluate the subtleties of functional groups ionisation under aqueous conditions. It was found that polymers prepared using 2-trifluoromethacrylic acid (TFMAA) in combination with toluene as porogen possess superior properties which make them suitable for effective template recognition in water. The potential impact of phase separation during polymerisation on formation of high quality imprints has been discussed. Three drugs of abuse such as cocaine, deoxyephedrine and methadone were used as template models in polymer preparation for the practical validation of obtained results. The polymer testing showed that synthesized molecularly imprinted polymers have high affinity and selectivity for corresponding templates in aqueous environment, with imprinting factors of 2.6 for cocaine and 1.4 for methadone and deoxyephedrine. Corresponding blank polymers were unable to differentiate between analytes, suggesting that imprinting phenomenon was responsible for the recognition properties.

Cold aqueous planetary geochemistry with FREZCHEM from modeling to the search for life at the limits

CERN Document Server

Marion, Giles M

2007-01-01

This book explicitly investigates issues of astrobiological relevance in the context of cold aqueous planetary geochemistry. At the core of the technical chapters is the FREZCHEM model, initially developed over many years by one of the authors to quantify aqueous electrolyte properties and chemical thermodynamics at subzero temperatures. FREZCHEM, of general relevance to biogeochemists and geochemical modelers, cold planetary scientists, physicochemists and chemical engineers, is subsequently applied to the exploration of biogeochemical applications to solar systems bodies in general, and to speculations about the limits for life in cold environments in particular.

Evidence of Chemical Cloud Processing from In Situ Measurements in the Polluted Marine Environment

Science.gov (United States)

Hudson, J. G.; Noble, S. R., Jr.

2017-12-01

Chemical cloud processing alters activated cloud condensation nuclei (CCN). Aqueous oxidation of trace gases dissolved within cloud droplets adds soluble material. As most cloud droplets evaporate, the residual material produces CCN that are larger and with a different hygroscopicity (κ). This improves the CCN, lowering the critical supersaturation (Sc), making it more easily activated. This process separates the processed (accumulation) and unprocessed (Aitken) modes creating bimodal CCN distributions (Hudson et al., 2015). Various measurements made during the MArine Stratus/stratocumulus Experiment (MASE), including CCN, exhibited aqueous processing signals. Particle size distributions; measured by a differential mobility analyzer; were compared with CCN distributions; measured by the Desert Research Institute CCN spectrometer; by converting size to Sc using κ to overlay concurrent distributions. By tuning each mode to the best agreement, κ for each mode is determined; processed κ (κp), unprocessed κ (κu). In MASE, 59% of bimodal distributions had different κ for the two modes indicating dominance of chemical processing via aqueous oxidation. This is consistent with Hudson et al. (2015). Figure 1A also indicates chemical processing with larger κp between 0.35-0.75. Processed CCN had an influx of soluble material from aqueous oxidation which increased κp versus κu. Above 0.75 κp is lower than κu (Fig. 1A). When κu is high and sulfate material is added, κp tends towards κ of the added material. Thus, κp is reduced by additional material that is less soluble than the original material. Chemistry measurements in MASE also indicate in-cloud aqueous oxidation (Fig. 1B and 1C). Higher fraction of CCN concentrations in the processed mode are also associated with larger amounts of sulfates (Fig. 1B, red) and nitrates (Fig. 1C, orange) while SO2 (Fig. 1B, black) and O3 (Fig. 1C, blue) have lower amounts. This larger amount of sulfate is at the expense of

Mechanisms of Copper Corrosion in Aqueous Environments. A report from the Swedish National Council for Nuclear Waste's scientific workshop, on November 16, 2009

Energy Technology Data Exchange (ETDEWEB)

2010-07-01

In 2010 the Swedish Nuclear Fuel and Waste Management Company, SKB, plans to submit its license application for the final repository of spent nuclear fuel. The proposed method is the so-called KBS-3 method and implies placing the spent nuclear fuel in copper canisters, surrounded by a buffer of bentonite clay, at 500 m depth in the bedrock. The site selected by SKB to host the repository is located in the municipality of Oesthammar on the Swedish east coast. The copper canister plays a key role in the design of the repository for spent nuclear fuel in Sweden. The long-term physical and chemical stability of copper in aqueous environments is fundamental for the safety evolution of the proposed disposal concept. However, the corrosion resistance of copper has been questioned by results obtained under anoxic conditions in aqueous solution. These observations caused some head-lines in the Swedish newspapers as well as public and political concerns. Consequently, the Swedish National Council for Nuclear Waste organized a scientific workshop on the issue 'Mechanisms of Copper Corrosion in Aqueous Environments'. The purpose of the workshop was to address the fundamental understanding of the corrosion characteristics of copper regarding oxygen-free environments, and to identify what additional information is needed to assess the validity of the proposed corrosion mechanism and its implication on the containment of spent nuclear fuel in a copper canister. This seminar report is based on the presentations and discussions at the workshop. It also includes written statements by the members of the expert panel

Isotopic and Chemical Evidence for Primitive Aqueous Alteration in the Tagish Lake Meteorite

Science.gov (United States)

Sakuma, Keisuke; Hidaka, Hiroshi; Yoneda, Shigekazu

2018-01-01

Aqueous alteration is one of the primitive activities that occurred on meteorite parent bodies in the early solar system. The Tagish Lake meteorite is known to show an intense parent body aqueous alteration signature. In this study, quantitative analyses of the alkaline elements and isotopic analyses of Sr and Ba from acid leachates of TL (C2-ungrouped) were performed to investigate effects of aqueous alteration. The main purpose of this study is to search for isotopic evidence of extinct 135Cs from the Ba isotopic analyses in the chemical separates from the Tagish Lake meteorite. Barium isotopic data from the leachates show variable 135Ba isotopic anomalies (ε = ‑2.6 ∼ +3.6) which correlatewith 137Ba and 138Ba suggesting a heterogeneous distribution of s- and r-rich nucleosynthetic components in the early solar system. The 87Rb–87Sr and 135Cs–135Ba decay systems on TL in this study do not provide any chronological information. The disturbance of the TL chronometers is likely a reflection of the selective dissolution of Cs and Rb given the relatively higher mobility of Cs and Rb compared to Ba and Sr, respectively, during fluid mineral interactions.

Industrial emerging chemicals in the environment

Directory of Open Access Journals (Sweden)

Vojinović-Miloradov Mirjana B.

2014-01-01

Full Text Available In the recent time, considerable interest has grown concerning the presence of the emerging industrial chemicals, EmIC. They are contaminants that have possible pathway to enter to the environment and they are dominantly released by industrial and anthropogenic activities. EmIC are applied in different fields using as industrial chemicals (new and recently recognized, global organic contaminants (flame retardant chemicals, pharmaceuticals (for both human and animal uses, endocrine-modulating compounds, biological metabolites, personal care products, household chemicals, nanomaterial (energy storage products, lubricants, anticorrosive and agriculture chemicals and others that are applied to a wide variety of everyday items such as clothing, upholstery, electronics and automobile interiors. NORMAN (Network of reference laboratories for monitoring of emerging environmental pollutants has established an open, dynamic, list of emerging substances and pollutants. EmIC have been recently detected in the environment due to their long-term presence, pseudo-persistence and increased use. Improvements in sophisticated analytical methods and time integrative passive sampling have enabled the identification and quantification of EmIC, in very low concentrations (ppb, ppt and lower, which likely have been present in all environmental mediums for decades. Passive technology is an innovative technique for the time-integrated measurement of emerging contaminants in water, sediment, soil and air. Passive samplers are simple handling cost-effective tool that could be used in environmental monitoring programmes. These devices are now being considered as a part of an emerging strategy for monitoring a range of emerging industrial chemicals and priority pollutants in the aquatic environment. EmIC are substances that are not included in the routine monitoring programmes and whose fate, behaviour and (ecotoxicological effects are still not well understood. Emerging

KEMOD: A mixed chemical kinetic and equilibrium model of aqueous and solid phase geochemical reactions

International Nuclear Information System (INIS)

Yeh, G.T.; Iskra, G.A.

1995-01-01

This report presents the development of a mixed chemical Kinetic and Equilibrium MODel in which every chemical species can be treated either as a equilibrium-controlled or as a kinetically controlled reaction. The reaction processes include aqueous complexation, adsorption/desorption, ion exchange, precipitation/dissolution, oxidation/reduction, and acid/base reactions. Further development and modification of KEMOD can be made in: (1) inclusion of species switching solution algorithms, (2) incorporation of the effect of temperature and pressure on equilibrium and rate constants, and (3) extension to high ionic strength

ENGINEERED BARRIER SYSTEM: PHYSICAL AND CHEMICAL ENVIRONMENT

International Nuclear Information System (INIS)

Jarek, R.

2004-01-01

The purpose of this report is to describe the evolution of the physical and chemical environmental conditions within the waste emplacement drifts of the repository, including the drip shield and waste package surfaces. The abstraction model is used in the total system performance assessment for the license application (TSPA LA) to assess the performance of the engineered barrier system and the waste form. This report develops and documents a set of these abstraction-level models that describe the engineered barrier system physical and chemical environment. Where possible, these models use information directly from other reports as input, which promotes integration among process models used for TSPA-LA. Specific tasks and activities of modeling the physical and chemical environment are included in ''Technical Work Plan for: Near-Field Environment and Transport In-Drift Geochemistry Model Report Integration'' (BSC 2004 [DIRS 171156], Section 1.2.2). As described in the technical work plan, the development of this report is coordinated with the development of other engineered barrier system reports

ENGINEERED BARRIER SYSTEM: PHYSICAL AND CHEMICAL ENVIRONMENT

International Nuclear Information System (INIS)

G.H. Nieder-Westermann

2005-01-01

The purpose of this report is to describe the evolution of the physical and chemical environmental conditions within the waste emplacement drifts of the repository, including the drip shield and waste package surfaces. The abstraction model is used in the total system performance assessment for the license application (TSPA LA) to assess the performance of the engineered barrier system and the waste form. This report develops and documents a set of these abstraction-level models that describe the engineered barrier system physical and chemical environment. Where possible, these models use information directly from other reports as input, which promotes integration among process models used for TSPA-LA. Specific tasks and activities of modeling the physical and chemical environment are included in ''Technical Work Plan for: Near-Field Environment and Transport In-Drift Geochemistry Model Report Integration'' (BSC 2004 [DIRS 171156], Section 1.2.2). As described in the technical work plan, the development of this report is coordinated with the development of other engineered barrier system reports

Consumer exposure to chemicals in indoor environment : A specific focus on chemicals from textile products

NARCIS (Netherlands)

Wijnhoven SWP; Kooi MW; te Biesebeek JD; SIR; vgc

2010-01-01

Textile products in indoor environment contain a variety of chemicals. Well-known examples are flame retardants, phthalates, formaldehyde and dimethylfumarate. Consumers are potentially exposed to these chemicals since a lot of textile products are present in indoor environment (clothing, curtains,

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

Science.gov (United States)

Toure, Oumar; Dussap, Claude-Gilles

2016-08-01

Standard Gibbs energies of formation are of primary importance in the field of biothermodynamics. In the absence of any directly measured values, thermodynamic calculations are required to determine the missing data. For several biochemical species, this study shows that the knowledge of the standard Gibbs energy of formation of the pure compounds (in the gaseous, solid or liquid states) enables to determine the corresponding standard Gibbs energies of formation in aqueous solutions. To do so, using chemical engineering tools (thermodynamic tables and a model enabling to predict activity coefficients, solvation Gibbs energies and pKa data), it becomes possible to determine the partial chemical potential of neutral and charged components in real metabolic conditions, even in concentrated mixtures. Copyright © 2016 Elsevier Ltd. All rights reserved.

Photoluminescence study of ZnO structures grown by aqueous chemical growth

International Nuclear Information System (INIS)

Kenanakis, G.; Androulidaki, M.; Vernardou, D.; Katsarakis, N.; Koudoumas, E.

2011-01-01

ZnO micro-structures were deposited by aqueous chemical growth on Si (100) substrates, their morphology and size depending on the growth period. Characterization of the structures was performed using X-ray diffraction, scanning electron microscopy and Raman spectroscopy. Photoluminescence spectra recorded at 18 and 295 K for 325 nm CW excitation indicated that these are strongly affected by the morphology of the structures. Rods and tubes emit stronger UV radiation, in contrast to stronger yellow-green emission observed for flower-like structures. A red shift of the UV emission was found for increasing input power, while, thermal annealing of the samples induced stimulated emission for quite high excitation intensities.

The effect of thermal treatment on the fracture properties of alloy X-750 in aqueous environments

International Nuclear Information System (INIS)

Ballinger, R.; Elliott, C.S.; Hwang, I.S.; Prybylowski, J.

1993-05-01

Alloy X-750 is a high strength, age hardenable nickel-base alloy used in light water nuclear reactors. The excellent corrosion resistance and high temperature strength of alloy X-750 make it suitable for use in a variety of structure components in both pressurized water reactors and boiling water reactors. These applications involve exposure of highly stressed material to aqueous media. Operational stresses are subject to low frequency thermally induced fluctuations and high frequency flow induced fluctuations. In general, alloy X-750 has performed well in light water reactors. However, an economically significant number of components have failed unexpectedly due to localized forms of attack such as corrosion fatigue and stress corrosion cracking. Thermal processing history is known to play a significant role in the fracture properties of alloy X-750 in aqueous environments. While thermal treatments have been developed recently to improve performance, in many cases the reason for improved performance remains unclear. Therefore, identification of the mechanisms responsible for the degradation of fracture properties in aqueous environments is necessary. As a corollary it is necessary to achieve an understanding of how thermal treatment influences microstructure and, in turn, how microstructure influences fracture properties in aqueous environments. This report discusses five thermal treatments which were studied: (1) SA-1 hr at 1093 degree C, (2) AH - 24 hr at 885 degree C + 20 hr at 704 degree C, (3) HTH - 1 hr at 1093 degree C + 20 hr at 704 degree C, (4) AHTH - 1 hr at 1093 degree C + 24 hr at 885 degree C + 20 hr at 704 degree C, and (5) HOA - 1 hr at 1093 degree C + 100 hrs at 760 degree C. Microstructural characterization of these materials was accomplished through the use of optical microscopy, transmission electron microscopy,scanning transmission electron microscopy, energy dispersive x-ray spectroscopy, and x-ray diffractometry

ENGINEERED BARRIER SYSTEM: PHYSICAL AND CHEMICAL ENVIRONMENT

Energy Technology Data Exchange (ETDEWEB)

R. Jarek

2004-11-23

The purpose of this report is to describe the evolution of the physical and chemical environmental conditions within the waste emplacement drifts of the repository, including the drip shield and waste package surfaces. The abstraction model is used in the total system performance assessment for the license application (TSPA LA) to assess the performance of the engineered barrier system and the waste form. This report develops and documents a set of these abstraction-level models that describe the engineered barrier system physical and chemical environment. Where possible, these models use information directly from other reports as input, which promotes integration among process models used for TSPA-LA. Specific tasks and activities of modeling the physical and chemical environment are included in ''Technical Work Plan for: Near-Field Environment and Transport In-Drift Geochemistry Model Report Integration'' (BSC 2004 [DIRS 171156], Section 1.2.2). As described in the technical work plan, the development of this report is coordinated with the development of other engineered barrier system reports.

ENGINEERED BARRIER SYSTEM: PHYSICAL AND CHEMICAL ENVIRONMENT

Energy Technology Data Exchange (ETDEWEB)

G.H. Nieder-Westermann

2005-04-07

The purpose of this report is to describe the evolution of the physical and chemical environmental conditions within the waste emplacement drifts of the repository, including the drip shield and waste package surfaces. The abstraction model is used in the total system performance assessment for the license application (TSPA LA) to assess the performance of the engineered barrier system and the waste form. This report develops and documents a set of these abstraction-level models that describe the engineered barrier system physical and chemical environment. Where possible, these models use information directly from other reports as input, which promotes integration among process models used for TSPA-LA. Specific tasks and activities of modeling the physical and chemical environment are included in ''Technical Work Plan for: Near-Field Environment and Transport In-Drift Geochemistry Model Report Integration'' (BSC 2004 [DIRS 171156], Section 1.2.2). As described in the technical work plan, the development of this report is coordinated with the development of other engineered barrier system reports.

On the vibrational behavior of single- and double-walled carbon nanotubes under the physical adsorption of biomolecules in the aqueous environment: a molecular dynamics study.

Science.gov (United States)

Ajori, S; Ansari, R; Darvizeh, M

2016-03-01

The adsorption of biomolecules on the walls of carbon nanotubes (CNTs) in an aqueous environment is of great importance in the field of nanobiotechnology. In this study, molecular dynamics (MD) simulations were performed to understand the mechanical vibrational behavior of single- and double-walled carbon nanotubes (SWCNTs and DWCNTs) under the physical adsorption of four important biomolecules (L-alanine, guanine, thymine, and uracil) in vacuum and an aqueous environment. It was observed that the natural frequencies of these CNTs in vacuum reduce under the physical adsorption of biomolecules. In the aqueous environment, the natural frequency of each pure CNT decreased as compared to its natural frequency in vacuum. It was also found that the frequency shift for functionalized CNTs as compared to pure CNTs in the aqueous environment was dependent on the radius and the number of walls of the CNT, and could be positive or negative.

Chemical modification of wood

Science.gov (United States)

Roger M. Rowell

2007-01-01

After millions of years of evolution, wood was designed to perform in a wet environment, and nature is programmed to recycle it, in a timely way, back to the basic building blocks of carbon dioxide and water through biological, thermal, aqueous, photochemical, chemical, and mechanical degradation. The properties of wood are, for the most part, a result of the chemistry...

Probing the elastic response of microalga Scenedesmus dimorphus in dry and aqueous environments through atomic force microscopy

Energy Technology Data Exchange (ETDEWEB)

Warren, K. M.; Mpagazehe, J. N.; Higgs, C. F., E-mail: prl@andrew.cmu.edu, E-mail: higgs@andrew.cmu.edu [Department of Mechanical Engineering, Carnegie Mellon University, 5000 Forbes Ave, Pittsburgh, Pennsylvania 15213 (United States); LeDuc, P. R., E-mail: prl@andrew.cmu.edu, E-mail: higgs@andrew.cmu.edu [Department of Mechanical Engineering, Carnegie Mellon University, 5000 Forbes Ave, Pittsburgh, Pennsylvania 15213 (United States); Departments of Biomedical Engineering and Biological Sciences, Carnegie Mellon University, 5000 Forbes Ave., Pittsburgh, Pennsylvania 15213 (United States)

2014-10-20

With the re-emergence of microalgae as a replacement feedstock for petroleum-derived oils, researchers are working to understand its chemical and mechanical behavior. In this work, the mechanical properties of microalgae, Scenedesmus dimorphus, were investigated at the subcellular level to determine the elastic response of cells that were in an aqueous and dried state using nano-scale indentation through atomic force microscopy. The elastic modulus of single-celled S. dimorphus cells increased over tenfold from an aqueous state to a dried state, which allows us to better understand the biophysical response of microalgae to stress.

Probing the elastic response of microalga Scenedesmus dimorphus in dry and aqueous environments through atomic force microscopy

International Nuclear Information System (INIS)

Warren, K. M.; Mpagazehe, J. N.; Higgs, C. F.; LeDuc, P. R.

2014-01-01

With the re-emergence of microalgae as a replacement feedstock for petroleum-derived oils, researchers are working to understand its chemical and mechanical behavior. In this work, the mechanical properties of microalgae, Scenedesmus dimorphus, were investigated at the subcellular level to determine the elastic response of cells that were in an aqueous and dried state using nano-scale indentation through atomic force microscopy. The elastic modulus of single-celled S. dimorphus cells increased over tenfold from an aqueous state to a dried state, which allows us to better understand the biophysical response of microalgae to stress.

Inverse hydrochemical models of aqueous extracts tests

Energy Technology Data Exchange (ETDEWEB)

Zheng, L.; Samper, J.; Montenegro, L.

2008-10-10

Aqueous extract test is a laboratory technique commonly used to measure the amount of soluble salts of a soil sample after adding a known mass of distilled water. Measured aqueous extract data have to be re-interpreted in order to infer porewater chemical composition of the sample because porewater chemistry changes significantly due to dilution and chemical reactions which take place during extraction. Here we present an inverse hydrochemical model to estimate porewater chemical composition from measured water content, aqueous extract, and mineralogical data. The model accounts for acid-base, redox, aqueous complexation, mineral dissolution/precipitation, gas dissolution/ex-solution, cation exchange and surface complexation reactions, of which are assumed to take place at local equilibrium. It has been solved with INVERSE-CORE{sup 2D} and been tested with bentonite samples taken from FEBEX (Full-scale Engineered Barrier EXperiment) in situ test. The inverse model reproduces most of the measured aqueous data except bicarbonate and provides an effective, flexible and comprehensive method to estimate porewater chemical composition of clays. Main uncertainties are related to kinetic calcite dissolution and variations in CO2(g) pressure.

Environment-Friendly Post-Treatment of PEDOT-Tos Films by Aqueous Vitamin C Solutions for Tuning of Thermoelectric Properties

Science.gov (United States)

Khan, Ezaz Hasan; Thota, Sammaiah; Wang, Yiwen; Li, Lian; Wilusz, Eugene; Osgood, Richard; Kumar, Jayant

2018-04-01

Aqueous vitamin C solution has been used as an environment-friendly reducing agent for tuning the thermoelectric properties of p-toluenesulfonate-doped poly(3,4-ethylenedioxythiophene) (PEDOT-Tos) films. The de-doping of the PEDOT-Tos films by aqueous vitamin C solutions led to a decrease in the electrical conductivity of the films. The measured ultraviolet-visible-near-infrared and x-ray photoelectron spectra clearly indicated the reduction in the oxidation level from 37 to 23% when the PEDOT-Tos films were treated with 5% (w/v) aqueous vitamin C solutions. An increase in the Seebeck coefficient was measured, resulting in an increase in the figure-of-merit (ZT). A 42% increase in ZT was determined for the 5% aqueous vitamin C solution-treated PEDOT-Tos films with respect to that of the untreated films.

Side by Side Comparison of Chemical Compounds Generated by Aqueous Pretreatments of Maize Stover, Miscanthus and Sugarcane Bagasse

NARCIS (Netherlands)

Gomez, L.D.; Vanholme, R.; Bird, S.; Goeminne, G.; Trindade, L.M.; Polikarpov, I.; Simister, R.; Morreel, K.; Boerjan, W.; McQueen-Mason, S.J.

2014-01-01

In order to examine the potential for coproduct generation, we have characterised chemical compounds released by a range of alkaline and acidic aqueous pretreatments as well as the effect of these pretreatments on the saccharification ability of the lignocellulosic material. Comparative experiments

Contaminant bioavailability in soils, sediments, and aquatic environments

OpenAIRE

Traina, Samuel J.; Laperche, Valérie

1999-01-01

The aqueous concentrations of heavy metals in soils, sediments, and aquatic environments frequently are controlled by the dissolution and precipitation of discrete mineral phases. Contaminant uptake by organisms as well as contaminant transport in natural systems typically occurs through the solution phase. Thus, the thermodynamic solubility of contaminant-containing minerals in these environments can directly influence the chemical reactivity, transport, and ecotoxici...

Prediction of Corrosion of Alloys in Mixed-Solvent Environments

Energy Technology Data Exchange (ETDEWEB)

Anderko, Andrzej [OLI Systems Inc. Morris Plains (United States); Wang, Peiming [OLI Systems Inc. Morris Plains (United States); Young, Robert D. [OLI Systems Inc. Morris Plains (United States); Riemer, Douglas P. [OLI Systems Inc. Morris Plains (United States); McKenzie, Patrice [OLI Systems Inc. Morris Plains (United States); Lencka, Malgorzata M. [OLI Systems Inc. Morris Plains (United States); Babu, Sudarsanam Suresh [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Angelini, Peter [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

2003-06-05

Corrosion is much less predictable in organic or mixed-solvent environments than in aqueous process environments. As a result, US chemical companies face greater uncertainty when selecting process equipment materials to manufacture chemical products using organic or mixed solvents than when the process environments are only aqueous. Chemical companies handle this uncertainty by overdesigning the equipment (wasting money and energy), rather than by accepting increased risks of corrosion failure (personnel hazards and environmental releases). Therefore, it is important to develop simulation tools that would help the chemical process industries to understand and predict corrosion and to develop mitigation measures. To create such tools, we have developed models that predict (1) the chemical composition, speciation, phase equilibria, component activities and transport properties of the bulk (aqueous, nonaqueous or mixed) phase that is in contact with the metal; (2) the phase equilibria and component activities of the alloy phase(s) that may be subject to corrosion and (3) the interfacial phenomena that are responsible for corrosion at the metal/solution or passive film/solution interface. During the course of this project, we have completed the following: (1) Development of thermodynamic modules for calculating the activities of alloy components; (2) Development of software that generates stability diagrams for alloys in aqueous systems; these diagrams make it possible to predict the tendency of metals to corrode; (3) Development and extensive verification of a model for calculating speciation, phase equilibria and thermodynamic properties of mixed-solvent electrolyte systems; (4) Integration of the software for generating stability diagrams with the mixed-solvent electrolyte model, which makes it possible to generate stability diagrams for nonaqueous or mixed-solvent systems; (5) Development of a model for predicting diffusion coefficients in mixed-solvent electrolyte

Enhancement of hybridoma formation, clonability and cell proliferation in a nanoparticle-doped aqueous environment

Directory of Open Access Journals (Sweden)

Karnieli Ohad

2008-01-01

Full Text Available Abstract Background The isolation and production of human monoclonal antibodies is becoming an increasingly important pursuit as biopharmaceutical companies migrate their drug pipelines away from small organic molecules. As such, optimization of monoclonal antibody technologies is important, as this is becoming the new rate-limiting step for discovery and development of new pharmaceuticals. The major limitations of this system are the efficiency of isolating hybridoma clones, the process of stabilizing these clones and optimization of hybridoma cell secretion, especially for large-scale production. Many previous studies have demonstrated how perturbations in the aqueous environment can impact upon cell biology. In particular, radio frequency (RF irradiation of solutions can have dramatic effects on behavior of solutions, cells and in particular membrane proteins, although this effect decays following removal of the RF. Recently, it was shown that nanoparticle doping of RF irradiated water (NPD water produced a stabilized aqueous medium that maintained the characteristic properties of RF irradiated water for extended periods of time. Therefore, the ordering effect in water of the RF irradiation can now be studied in systems that required prolonged periods for analysis, such as eukaryotic cell culture. Since the formation of hybridoma cells involves the formation of a new membrane, a process that is affected by the surrounding aqueous environment, we tested these nanoparticle doped aqueous media formulations on hybridoma cell production. Results In this study, we tested the entire process of isolation and production of human monoclonal antibodies in NPD water as a means for further enhancing human monoclonal antibody isolation and production. Our results indicate an overall enhancement of hybridoma yield, viability, clonability and secretion. Furthermore, we have demonstrated that immortal cells proliferate faster whereas primary human fibroblasts

Journal of Chemical Sciences | Indian Academy of Sciences

Indian Academy of Sciences (India)

Study of multi-site chemical exchange in solution state by NMR: 1D .... based theoretical studies on the adsorption behaviour of (S)-Phenylsuccinic acid on silver .... Facile synthesis of novel benzotriazole derivatives and their antibacterial activities .... for corrosion control of carbon steel in nearly neutral aqueous environment.

Performance of Cement-Based Materials in Aggressive Aqueous Environments State-of-the-Art Report, RILEM TC 211 - PAE

CERN Document Server

Bertron, Alexandra; Belie, Nele

2013-01-01

Concrete and cement-based materials must operate in increasingly aggressive aqueous environments, which may be either natural or industrial.  These materials may suffer degradation in which ion addition and/or ion exchange reactions occur, leading to a breakdown of the matrix microstructure and consequent weakening.  Sometimes this degradation can be extremely rapid and serious such as in acidic environments, while in other cases degradation occurs over long periods.  Consequences of material failure are usually severe – adversely affecting the health and well-being of human communities and disturbing ecological balances. There are also large direct costs of maintaining and replacing deteriorated infrastructure and indirect costs from loss of production during maintenance work, which place a great burden on society. The focus of this book is on addressing issues concerning performance of cement-based materials in aggressive aqueous environments , by way of this State-of-the-Art Report. The book represe...

Physico-chemical properties of aqueous drug solutions: From the basic thermodynamics to the advanced experimental and simulation results.

Science.gov (United States)

Bellich, Barbara; Gamini, Amelia; Brady, John W; Cesàro, Attilio

2018-04-05

The physical chemical properties of aqueous solutions of model compounds are illustrated in relation to hydration and solubility issues by using three perspectives: thermodynamic, spectroscopic and molecular dynamics simulations. The thermodynamic survey of the fundamental backgrounds of concentration dependence and experimental solubility results show some peculiar behavior of aqueous solutions with several types of similar solutes. Secondly, the use of a variety of experimental spectroscopic devices, operating under different experimental conditions of dimension and frequency, has produced a large amount of structural and dynamic data on aqueous solutions showing the richness of the information produced, depending on where and how the experiment is carried out. Finally, the use of molecular dynamics computational work is presented to highlight how the different types of solute functional groups and surface topologies organize adjacent water molecules differently. The highly valuable contribution of computer simulation studies in providing molecular explanations for experimental deductions, either of a thermodynamic or spectroscopic nature, is shown to have changed the current knowledge of many aqueous solution processes. While this paper is intended to provide a collective view on the latest literature results, still the presentation aims at a tutorial explanation of the potentials of the three methodologies in the field of aqueous solutions of pharmaceutical molecules. Copyright © 2018. Published by Elsevier B.V.

Identification of chemical contamination in an aqueous sample using liquid chromatography with mass spectrometry during 2nd NATO mixed samples laboratory exercise

International Nuclear Information System (INIS)

Grolmusova, K.; Tkac, M.

2010-01-01

Biological and radiological screening was conducted to determine the type of biological and radiological contamination for a sample and the reference sample. Biological screening confirmed the presence of biological contamination. Radiological screening confirmed the presence of 235 U. Preliminary chemical screening military confirmed the presence of volatile chemicals (chemical warfare agents, CWA), but refute the presence of non-volatile CWA and their degradation products and precursors (1,2,3 directory Organization for the Prohibition of Chemical Weapons, OPCW). To carry out further analysis it was necessary to adjust the aqueous sample so that it minimizes the possibility of radiological contamination, while maintaining chemical contamination. To remove 235 U from the water sample for selective extraction of chemical contamination SCX cartridges (strong cation exchange) by solid phase extraction were used. To identify chemical contamination (from the list of substances 1, 2, 3 OPCW) GC-MS and LC-MS were used. LC-ESI-MS analysis has demonstrated the presence of unknown substance designated as Chemical A in an aqueous sample. LC-ESI-MS chromatograms of the reference sample, water sample and standard were compared. Unknown substance was identified on the basis of the correlation of retention times and MS spectra of unknown substance Chemical A and standard such as triethanolamine (TEA, a breakdown product of nitrogen mustard - HN 3 fabric from the list 3B17Y OPCW).

Rock fracture processes in chemically reactive environments

Science.gov (United States)

Eichhubl, P.

2015-12-01

Rock fracture is traditionally viewed as a brittle process involving damage nucleation and growth in a zone ahead of a larger fracture, resulting in fracture propagation once a threshold loading stress is exceeded. It is now increasingly recognized that coupled chemical-mechanical processes influence fracture growth in wide range of subsurface conditions that include igneous, metamorphic, and geothermal systems, and diagenetically reactive sedimentary systems with possible applications to hydrocarbon extraction and CO2 sequestration. Fracture processes aided or driven by chemical change can affect the onset of fracture, fracture shape and branching characteristics, and fracture network geometry, thus influencing mechanical strength and flow properties of rock systems. We are investigating two fundamental modes of chemical-mechanical interactions associated with fracture growth: 1. Fracture propagation may be aided by chemical dissolution or hydration reactions at the fracture tip allowing fracture propagation under subcritical stress loading conditions. We are evaluating effects of environmental conditions on critical (fracture toughness KIc) and subcritical (subcritical index) fracture properties using double torsion fracture mechanics tests on shale and sandstone. Depending on rock composition, the presence of reactive aqueous fluids can increase or decrease KIc and/or subcritical index. 2. Fracture may be concurrent with distributed dissolution-precipitation reactions in the hostrock beyond the immediate vicinity of the fracture tip. Reconstructing the fracture opening history recorded in crack-seal fracture cement of deeply buried sandstone we find that fracture length growth and fracture opening can be decoupled, with a phase of initial length growth followed by a phase of dominant fracture opening. This suggests that mechanical crack-tip failure processes, possibly aided by chemical crack-tip weakening, and distributed solution-precipitation creep in the

Effect of textural and chemical characteristics of activated carbons on phenol adsorption in aqueous solutions

Directory of Open Access Journals (Sweden)

Vargas Diana P.

2017-12-01

Full Text Available The effect of textural and chemical properties such as: surface area, pore volume and chemical groups content of the granular activated carbon and monoliths on phenol adsorption in aqueous solutions was studied. Granular activated carbon and monolith samples were produced by chemical activation. They were characterized by using N2 adsorption at 77 K, CO2 adsorption at 273 K, Boehm Titrations and immersion calorimetry in phenol solutions. Microporous materials with different pore size distribution, surface area between 516 and 1685 m2 g−1 and pore volumes between 0.24 and 0.58 cm3 g−1 were obtained. Phenol adsorption capacity of the activated carbon materials increased with increasing BET surface area and pore volume, and is favored by their surface functional groups that act as electron donors. Phenol adsorption capacities are in ranged between 73.5 and 389.4 mg · g−1.

Chemical effects associated to (n, γ) nuclear reactions in diluted aqueous solutions of liquid or frozen organic halogenides

International Nuclear Information System (INIS)

Bermudez Rodriguez, I.M.

1985-09-01

Chemical effects associated to nuclear transformation 37 Cl (n, γ) 38 Cl or 127 I (n, γ) 128 I in solid or liquid aqueous solutions of ethyl iodide, trichloro-ethylene, thyroxine or DDT irradiated in a nuclear reactor are studied. The retention of radiohalogen under its initial chemical shape decrease with solute concentration in liquid phase but is almost constant with solute dilution in the solid phase. Potential applications in neutron activation analysis evidencing halogenated molecules in irradiated media are discussed. 57 refs [fr

Unravelling the Role of an Aqueous Environment on the Electronic Structure and Ionization of Phenol Using Photoelectron Spectroscopy.

Science.gov (United States)

Riley, Jamie W; Wang, Bingxing; Woodhouse, Joanne L; Assmann, Mariana; Worth, Graham A; Fielding, Helen H

2018-02-15

Water is the predominant medium for chemistry and biology, yet its role in determining how molecules respond to ultraviolet light is not well understood at the molecular level. Here, we combine gas-phase and liquid-microjet photoelectron spectroscopy to investigate how an aqueous environment influences the electronic structure and relaxation dynamics of phenol, a ubiquitous motif in many biologically relevant chromophores. The vertical ionization energies of electronically excited states are important quantities that govern the rates of charge-transfer reactions, and, in phenol, the vertical ionization energy of the first electronically excited state is found to be lowered by around 0.8 eV in aqueous solution. The initial relaxation dynamics following photoexcitation with ultraviolet light appear to be remarkably similar in the gas-phase and aqueous solution; however, in aqueous solution, we find evidence to suggest that solvated electrons are formed on an ultrafast time scale following photoexcitation just above the conical intersection between the first two excited electronic states.

Trace-Element Evidence for an Aqueous Atmospheric Origin of Desert Varnish: implications for the aqueous atmospheric input flux into the ocean

Science.gov (United States)

Thiagarajan, N.; Lee, C.

2003-12-01

Desert varnish is a slow-growing dark patina commonly found on rock surfaces in arid environments. Varnishes consist of about 30% Mn and Fe oxides accompanied by oxides of Si, Al, Mg, K and Ca, which occur primarily in the form of clays. Although it is generally agreed that varnishes have an atmospheric origin, their exact formation mechanism remains highly debated. Two endmember hypotheses are gradual accumulation of wind-blown dust followed by diagenesis, and direct chemical precipitation of dissolved elements from atmospheric aerosols. To rule out one of these hypotheses, we investigated the trace-element systematics of varnishes, in particular, focusing on those elements that have contrasting solubilities in aqueous environments. If our trace element analyses are consistent with the varnishes being derived from dissolved atmospheric constituents then the data can be used to quantify the paleofluxes of the soluble fraction of atmospheric aerosols to various depositional environments. For example, this will have implications for the transport of metals to the ocean that are immediately biologically available. We collected varnishes deposited on smooth basaltic lava flow surfaces in the Cima Volcanic Field (Mojave Desert) and in Death Valley, California. The chosen lava flows retain original flow surface structure and are topographical highs; the effects of erosion are hence minimal. Varnishes were scraped off with a quartz rod to minimize trace element contamination and the trace element compositions were then determined by ICP-MS using an external synthetic standard for calibration. Our analyses show that the rare-earth elements (REEs), Co, Ni, and Pb are enriched 1.5 to 10 times relative to the upper continental crust (UCC) and that Nb, Ti, Ta, Hf, Th, Rb and Cs are depleted to varying degrees relative to UCC and the REEs. These fractionations can be explained by their differing chemical behaviors in aqueous environments. The extreme depletion in Rb and Cs

Consumer exposure to chemicals in indoor environment : A specific focus on chemicals from textile products

OpenAIRE

Wijnhoven SWP; Kooi MW; te Biesebeek JD; SIR; vgc

2010-01-01

Textile products in indoor environment contain a variety of chemicals. Well-known examples are flame retardants, phthalates, formaldehyde and dimethylfumarate. Consumers are potentially exposed to these chemicals since a lot of textile products are present in indoor environment (clothing, curtains, floor covering, and upholstery of furniture) and consumers are in contact with these products for up to 24 hours a day. The Food and Consumer Product Safety Authority (VWA) commissioned RIVM to mak...

Humid-air and aqueous corrosion models for corrosion-allowance barrier material

International Nuclear Information System (INIS)

Lee, J.H.; Atkins, J.E.; Andrews, R.W.

1995-01-01

Humid-air and aqueous general and pitting corrosion models (including their uncertainties) for the carbon steel outer containment barrier were developed using the corrosion data from literature for a suite of cast irons and carbon steels which have similar corrosion behaviors to the outer barrier material. The corrosion data include the potential effects of various chemical species present in the testing environments. The atmospheric corrosion data also embed any effects of cyclic wetting and drying and salts that may form on the corroding specimen surface. The humid-air and aqueous general corrosion models are consistent in that the predicted humid-air general corrosion rates at relative humidities between 85 and 100% RH are close to the predicted aqueous general corrosion rates. Using the expected values of the model parameters, the model predicts that aqueous pitting corrosion is the most likely failure mode for the carbon steel outer barrier, and an earliest failure (or initial pit penetration) of the 100-mm thick barrier may occur as early as about 500 years if it is exposed continuously to an aqueous condition at between 60 and 70 degrees C

Using solid phase micro extraction to determine salting-out (Setschenow) constants for hydrophobic organic chemicals.

NARCIS (Netherlands)

Jonker, M.T.O.; Muijs, B.

2010-01-01

With increasing ionic strength, the aqueous solubility and activity of organic chemicals are altered. This so-called salting-out effect causes the hydrophobicity of the chemicals to be increased and sorption in the marine environment to be more pronounced than in freshwater systems. The process can

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.

Influence of pH on the chemical and structural properties of the oxide films formed on 316L stainless steel, alloy 600 and alloy 690 in high temperature aqueous environments

International Nuclear Information System (INIS)

Dupin, M.; Gosser, P.; Walls, M.G.; Rondot, B.; Pastol, J.L.

2002-01-01

The oxide films formed on 316L stainless steel, alloy 600 and alloy 690 at 320 deg C in high temperature aqueous environments of different pH have been examined by glow discharge optical spectroscopy, scanning electron microscopy, atomic force microscopy and capacitance measurements. The analytical study reveals that the films formed at pH 5 are mainly composed of chromium oxides. When the pH increases the chromium concentration decreases and those of the other two elements (Ni and Fe) tend to increase. The films formed at pH 5 on 316L stainless steel and alloy 600 are thick and powder-like. The film formed at the same pH on alloy 690 is thin and is composed of a compact protective inner layer and a less-compact outer layer formed by crystals of mixed iron-nickel-chromium oxides. The morphological appearance of the thick films and that of the thin films is very different. However, equivalent morphologies can be observed for the relatively thin duplex films formed at pH 8 and pH 9.5 on the 316L stainless steel and nickel-base alloys. The evolution of the chemical composition of the films is accompanied by important changes from the point of view of their semi-conductivity. (authors)

Theoretical isotopic fractionation between structural boron in carbonates and aqueous boric acid and borate ion

Science.gov (United States)

Balan, Etienne; Noireaux, Johanna; Mavromatis, Vasileios; Saldi, Giuseppe D.; Montouillout, Valérie; Blanchard, Marc; Pietrucci, Fabio; Gervais, Christel; Rustad, James R.; Schott, Jacques; Gaillardet, Jérôme

2018-02-01

The 11B/10B ratio in calcite and aragonite is an important proxy of oceanic water pH. However, the physico-chemical mechanisms underpinning this approach are still poorly known. In the present study, we theoretically determine the equilibrium isotopic fractionation properties of structural boron species in calcium carbonates, BO33-, BO2(OH)2- and B(OH)4- anions substituted for carbonate groups, as well as those of B(OH)4- and B(OH)3 species in vacuum. Significant variability of equilibrium isotopic fractionation properties is observed among these structural species which is related to their contrasted coordination state, Bsbnd O bond lengths and atomic-scale environment. The isotopic composition of structural boron does not only depend on its coordination number but also on its medium range environment, i.e. farther than its first coordination shell. The isotopic fractionation between aqueous species and their counterparts in vacuum are assessed using previous investigations based on similar quantum-mechanical modeling approaches. At 300 K, the equilibrium isotope composition of structural trigonal species is 7-15‰ lighter than that of aqueous boric acid molecules, whereas substituted tetrahedral borate ions are heavier than their aqueous counterparts by 10-13‰. Although significant uncertainties are known to affect the theoretical prediction of fractionation factors between solids and solutions, the usually assumed lack of isotopic fractionation during borate incorporation in carbonates is challenged by these theoretical results. The present theoretical equilibrium fractionation factors between structural boron and aqueous species differ from those inferred from experiments which may indicate that isotopic equilibrium, unlike chemical equilibrium, was not reached in most experiments. Further research into the isotopic fractionation processes at the interface between calcium carbonates and aqueous solution as well as long duration experiments aimed at

Chemical equilibrium of hydrogen and aqueous solutions of 1 : 1 bicarbonate and formate salts with a common cation

NARCIS (Netherlands)

Engel, D.C.; Versteeg, G.F.; Swaaij, W.P.M. van

1997-01-01

The chemical equilibrium of hydrogen and aqueous solutions of 1:1 bicarbonate and formate salts with a common cation has been investigated in an intensively stirred batch reactor: MHCO3(aq) + H2(aq) ↔ MOOCH(aq) + H2O(l) This was accomplished for the sodium (M = Na), potassium (M = K) and ammonium (M

Identification of chemical contamination in an aqueous sample using liquid chromatography with mass spectrometry during 2nd NATO mixed samples laboratory exercise

International Nuclear Information System (INIS)

Grolmusova, K.; Tkac, M.

2010-01-01

Biological and radiological screening was conducted on a sample and reference sample to determine the type of biological and radiological contamination. Biological screening confirmed the presence of biological contamination. Radiological screening confirmed the presence of 235 U. Preliminary chemical military screening confirmed the presence of volatile chemicals (chemical warfare agents, CWA), but refute the presence of non-volatile CWA and their degradation products and precursors (1,2,3 directory Organization for the Prohibition of Chemical Weapons, OPCW). To carry out further analysis it was necessary to adjust aqueous sample so that it minimizes the possibility of radiological contamination, while maintaining chemical contamination. To remove of 235 U from the water sample for selective extraction of chemical contamination by solid phase extraction (solid phase extraction - SPE) using SCX (strong cation exchange) cartridges were used. To identify chemical contamination (from the list of substances 1, 2, 3 OPCW) GC-MS and LC-MS were used. LC-ESI-MS analysis has demonstrated the presence of an unknown substance designated as Chemical A in an aqueous sample. LC-ESI-MS chromatograms of the reference sample, water sample and standard were compared. Unknown substance has been identified on the basis of the correlation of retention times and MS spectra of unknown substances - chemical A and standard such as triethanolamine (TEA, a breakdown product of nitrogen mustard - HN 3 fabric from the list 3B17Y OPCW).

How Solid-Electrolyte Interphase Forms in Aqueous Electrolytes.

Science.gov (United States)

Suo, Liumin; Oh, Dahyun; Lin, Yuxiao; Zhuo, Zengqing; Borodin, Oleg; Gao, Tao; Wang, Fei; Kushima, Akihiro; Wang, Ziqiang; Kim, Ho-Cheol; Qi, Yue; Yang, Wanli; Pan, Feng; Li, Ju; Xu, Kang; Wang, Chunsheng

2017-12-27

Solid-electrolyte interphase (SEI) is the key component that enables all advanced electrochemical devices, the best representative of which is Li-ion battery (LIB). It kinetically stabilizes electrolytes at potentials far beyond their thermodynamic stability limits, so that cell reactions could proceed reversibly. Its ad hoc chemistry and formation mechanism has been a topic under intensive investigation since the first commercialization of LIB 25 years ago. Traditionally SEI can only be formed in nonaqueous electrolytes. However, recent efforts successfully transplanted this concept into aqueous media, leading to significant expansion in the electrochemical stability window of aqueous electrolytes from 1.23 V to beyond 4.0 V. This not only made it possible to construct a series of high voltage/energy density aqueous LIBs with unprecedented safety, but also brought high flexibility and even "open configurations" that have been hitherto unavailable for any LIB chemistries. While this new class of aqueous electrolytes has been successfully demonstrated to support diversified battery chemistries, the chemistry and formation mechanism of the key component, an aqueous SEI, has remained virtually unknown. In this work, combining various spectroscopic, electrochemical and computational techniques, we rigorously examined this new interphase, and comprehensively characterized its chemical composition, microstructure and stability in battery environment. A dynamic picture obtained reveals how a dense and protective interphase forms on anode surface under competitive decompositions of salt anion, dissolved ambient gases and water molecule. By establishing basic laws governing the successful formation of an aqueous SEI, the in-depth understanding presented in this work will assist the efforts in tailor-designing better interphases that enable more energetic chemistries operating farther away from equilibria in aqueous media.

An approach for assessing human exposures to chemical mixtures in the environment

International Nuclear Information System (INIS)

Rice, Glenn; MacDonell, Margaret; Hertzberg, Richard C.; Teuschler, Linda; Picel, Kurt; Butler, Jim; Chang, Young-Soo; Hartmann, Heidi

2008-01-01

Humans are exposed daily to multiple chemicals, including incidental exposures to complex chemical mixtures released into the environment and to combinations of chemicals that already co-exist in the environment because of previous releases from various sources. Exposures to chemical mixtures can occur through multiple pathways and across multiple routes. In this paper, we propose an iterative approach for assessing exposures to environmental chemical mixtures; it is similar to single-chemical approaches. Our approach encompasses two elements of the Risk Assessment Paradigm: Problem Formulation and Exposure Assessment. Multiple phases of the assessment occur in each element of the paradigm. During Problem Formulation, analysts identify and characterize the source(s) of the chemical mixture, ensure that dose-response and exposure assessment measures are concordant, and develop a preliminary evaluation of the mixture's fate. During Exposure Assessment, analysts evaluate the fate of the chemicals comprising the mixture using appropriate models and measurement data, characterize the exposure scenario, and estimate human exposure to the mixture. We also describe the utility of grouping the chemicals to be analyzed based on both physical-chemical properties and an understanding of environmental fate. In the article, we also highlight the need for understanding of changes in the mixture composition in the environment due to differential transport, differential degradation, and differential partitioning to other media. The section describes the application of the method to various chemical mixtures, highlighting issues associated with assessing exposures to chemical mixtures in the environment

Chemical performance of multi-environment trials in lens (Lens culinaris M.).

Science.gov (United States)

Karadavut, Ufuk; Palta, Cetin

2010-01-15

Genotype-environment (GE) interaction has been a major effect to determine stable lens (Lens culinaris (Medik.) Merr.) cultivars for chemical composition in Turkey. Utilization of the lines depends on their agronomic traits and stability of the chemical composition in diverse environments. The objectives of this study were: (i) to evaluate the influence of year and location on the chemical composition of lens genotypes; and (ii) to determine which cultivar is the most stable. Genotypes were evaluated over 3 years (2005, 2006 and 2007) at four locations in Turkey. Effects of year had the largest impact on all protein contents. GE interaction was analyzed by using linear regression techniques. Stability was estimated using the Eberhart and Russell method. 'Kişlik Kirmizi51' was the most stable cultivar for grain yield. The highest protein was obtained from 'Kişlik Kirmizi51' (4.6%) across environments. According to stability analysis, 'Firat 87' had the most stable chemical composition. This genotype had a regression coefficient (b(i) = 1) around unity, and deviations from regression values (delta(ij) = 0) around zero. Chemical composition was affected by year in this study. Temperature might have an effect on protein, oil, carbohydrate, fibre and ash. Firat 87 could be recommended for favourable environments. Copyright (c) 2009 Society of Chemical Industry.

Non-Chemical Stressors in a Child’s Social Environment

Science.gov (United States)

Non-chemical stressors exist in the built, natural and social environments including physical factors (e.g., noise, temperature and humidity) and psychosocial factors (e.g., poor diet, smoking, illicit drug use)[1]. Scientists study how non-chemical stressors (e.g., social suppor...

A guide to the coupled chemical equilibria and migration code CHEQMATE

International Nuclear Information System (INIS)

Haworth, A.; Sharland, S.M.; Tasker, P.W.; Tweed, C.J.

1988-02-01

The CHEQMATE (CHemical EQuilibrium with Migration and Transport Equations) program has been developed to model the evolution of spatially inhomogeneous aqueous chemical systems. CHEQMATE models one-dimensional diffusion and electromigration of ionic species with chemical equilibration provided by the geochemical code PHREEQE. The transport and chemical parts of the CHEQMATE code are iteratively coupled, so that local chemical equilibrium is maintained as the transport processes evolve. CHEQMATE is very flexible and can easily be applied to many different evolving chemical systems. It has principally been used to study the evolution of the chemical environment in and around a nuclear waste repository. (author)

Chemical behaviour of zinc in cover gas environments

International Nuclear Information System (INIS)

Thorley, A.W; Blundell, A.; Lloyd, R.

1987-01-01

The possibility that enhancement of 65-Zn in the cover gas regions of reactor plant may increase levels of radioactivity and provide potential embrittlement situations has lead to a limited metallurgical and chemical investigation into how this element behaves in cover gas environments. This paper reports the chemical findings from those investigations and compare results obtained with those anticipated from thermodynamic predictions

Chemically induced dynamic electron polarization. Pulse radiolysis of aqueous solutions of alcohols

International Nuclear Information System (INIS)

Trifunac, A.D.; Thurnauer, M.C.

1975-01-01

The radical pair model of chemically induced dynamic electron polarization (CIDEP) is experimentally verified. Aqueous solutions of alcohols were irradiated with 3 MeV electrons and observed with time resolved electron paramagnetic resonance (EPR) spectroscopy. Relative line intensities of the polarized EPR spectra of radicals from methanol and especially ethylene glycol, alone and in the presence of radicals from compounds containing halogens, illustrates the polarization dependence on the g-factor differences between the radical pair components. The observation of the relative polarization enhancement in the various lines of the multiline EPR spectra illustrates the polarization dependence on the hyperfine terms. Intrinsic enhancements are calculated and are shown to be proportional to the observed enhancement, showing that the radical pair model of CIDEP is qualitatively correct

Iron oxide functionalized graphene nano-composite for dispersive solid phase extraction of chemical warfare agents from aqueous samples.

Science.gov (United States)

Chinthakindi, Sridhar; Purohit, Ajay; Singh, Varoon; Tak, Vijay; Goud, D Raghavender; Dubey, D K; Pardasani, Deepak

2015-05-15

Present study deals with the preparation and evaluation of graphene based magnetic nano-composite for dispersive solid phase extraction of Chemical Weapons Convention (CWC) relevant chemicals from aqueous samples. Nano-composite, Fe3O4@SiO2-G was synthesized by covalently bonding silica coated Fe3O4 onto the graphene sheets. Nerve agents (NA), Sulfur mustard (SM) and their non-toxic environmental markers were the target analytes. Extraction parameters like amount of sorbent, extraction time and desorption conditions were optimized. Dispersion of 20 milligram of sorbent in 200mL of water sample for 20min. followed by methanol/chloroform extraction produced average to good recoveries (27-94%) of targeted analytes. Recoveries of real agents exhibited great dependency upon sample pH and ionic strength. Sarin produced maximum recovery under mild acidic conditions (56% at pH 5) while VX demanded alkaline media (83% at pH 9). Salts presence in the aqueous samples was found to be advantageous, raising the recoveries to as high as 94% for SM. Excellent limits of detection (LOD) for sulphur mustard and VX (0.11ngmL(-1) and 0.19ngmL(-1) respectively) proved the utility of the developed method for the off-site analysis of CWC relevant chemicals. Copyright © 2015 Elsevier B.V. All rights reserved.

Energy and environment efficiency analysis based on an improved environment DEA cross-model: Case study of complex chemical processes

International Nuclear Information System (INIS)

Geng, ZhiQiang; Dong, JunGen; Han, YongMing; Zhu, QunXiong

2017-01-01

Highlights: •An improved environment DEA cross-model method is proposed. •Energy and environment efficiency analysis framework of complex chemical processes is obtained. •This proposed method is efficient in energy-saving and emission reduction of complex chemical processes. -- Abstract: The complex chemical process is a high pollution and high energy consumption industrial process. Therefore, it is very important to analyze and evaluate the energy and environment efficiency of the complex chemical process. Data Envelopment Analysis (DEA) is used to evaluate the relative effectiveness of decision-making units (DMUs). However, the traditional DEA method usually cannot genuinely distinguish the effective and inefficient DMU due to its extreme or unreasonable weight distribution of input and output variables. Therefore, this paper proposes an energy and environment efficiency analysis method based on an improved environment DEA cross-model (DEACM) method. The inputs of the complex chemical process are divided into energy and non-energy inputs. Meanwhile, the outputs are divided into desirable and undesirable outputs. And then the energy and environment performance index (EEPI) based on the cross evaluation is used to represent the overall performance of each DMU. Moreover, the improvement direction of energy-saving and carbon emission reduction of each inefficiency DMU is quantitatively obtained based on the self-evaluation model of the improved environment DEACM. The results show that the improved environment DEACM method has a better effective discrimination than the original DEA method by analyzing the energy and environment efficiency of the ethylene production process in complex chemical processes, and it can obtain the potential of energy-saving and carbon emission reduction of ethylene plants, especially the improvement direction of inefficient DMUs to improve energy efficiency and reduce carbon emission.

Chemical degradation of an uncrosslinked pure fluororubber in an alkaline environment

DEFF Research Database (Denmark)

Mitra, S.; Ghanbari-Siahkali, A.; Kingshott, P.

2004-01-01

after prolonged exposure (e.g., 12 weeks). The molecular mechanisms of the chemical degradation processes at the surface were evaluated with X-ray photoelectron spectroscopy and attenuated total reflectance/Fourier transform infrared spectroscopy. The results revealed that the early degradation...... proceeded primarily via dehydrofluorination reactions, creating double bonds in the rubber backbone. This further accelerated the degradation after longer exposure times. Furthermore, the resulting double bonds underwent nucleophilic attack by an aqueous NaOH solution to form several oxygenated species. All...... these species ultimately recombined to form crosslinks, as evidenced by the increase in the gel fraction and surface hardness (Shore A). The pronounced effect of chemical degradation through a reduction in the thermal stability of the pure FKM rubber upon exposure was also evident from thermogravimetric...

Aqueous chemical growth and application of ZnO nanorods

Energy Technology Data Exchange (ETDEWEB)

Postels, Bianca; Kasprzak, Anna; Mofor, Augustine C.; Wehmann, Hergo-Heinrich; Bakin, Andrey; Waag, Andreas [Institute of Semiconductor Technology, Technical University Braunschweig, Hans-Sommer-Str. 66, 38106 Braunschweig (Germany)

2007-07-01

A very promising fabrication process for ZnO nanostructures is the aqueous chemical growth (ACG), since it is a cost efficient and low temperature approach. Using this growth technique we generated wafer-scale ZnO nanorod arrays on Si, sapphire, ITO coated glass and even on flexible polymer substrates. ACG is found to be only weakly influenced by the substrate material and we are also able to control the dimensions of the ZnO nanorods. Another benefit of ACG is the ability to fabricate patterned arrays of ZnO nanorods by a selective growth process on structured metallised surfaces. Results of structural analysis with SEM and XRD are reported. Additionally, optical properties were investigated by PL measurements. First attempts on the preparation of dye sensitised solar cells (DSSCs) are also reported. Here, the traditional sintered TiO{sub 2} nanoparticles are replaced by a densely packed and vertically aligned array of ACG ZnO nanorods. The size and morphology of the ZnO nanorods can be controlled. The influence of the length of the nanorods on the cell properties is investigated. A vapour phase transport technique was also used as alternative growth method.

Chemical effects induced by dissolving γ-irradiated alkali halides in aqueous nitrate, permanganate and chromate solutions

International Nuclear Information System (INIS)

Phansalkar, V.K.; Bapat, L.; Ravishankar, D.

1982-01-01

Dissolution of γ-irradiated alkali halides in aqueous solutions of sodium nitrate, potassium permanganate and potassium chromate at neutral pH induces chemical changes leading to the formation of NO 2 - in nitrate, Mn(IV) and Cr(III) species in permanganate and chromate solutions, respectively. Further, the studies on nitrate and permanganate systems show that the amount of NO 2 - and Mn(IV) formed grows by increasing the dose of γ-irradiation of the salt and the amount of irradiated salt. Moreover, the extent of chemical changes effected by irradiated chlorides has been found to be more than that of bromides. The mesh size of the irradiated salt and the presence of scavengers like I - and methanol in the system, affects the yield of NO 2 - . (author)

A mathematical model for chemical reactions with actinide elements in the aqueous nitric acid solution: REACT

International Nuclear Information System (INIS)

Tachimori, Shoichi

1990-02-01

A mathematical model of chemical reactions with actinide elements: REACT code, was developed to simulate change of valency states of U, Pu and Np in the aqueous nitric acid solution. Twenty seven rate equations for the redox reactions involving some reductants, disproportionation reactions, and radiolytic growth and decay reaction of nitrous acid were programmed in the code . Eight numerical solution methods such as Porsing method to solve the rate equations were incorporated parallel as options depending on the characteristics of the reaction systems. The present report gives a description of the REACT code, e.g., chemical reactions and their rate equations, numerical solution methods, and some examples of the calculation results. A manual and a source file of the program was attached to the appendix. (author)

The IUPAC aqueous and non-aqueous experimental pKa data repositories of organic acids and bases.

Science.gov (United States)

Slater, Anthony Michael

2014-10-01

Accurate and well-curated experimental pKa data of organic acids and bases in both aqueous and non-aqueous media are invaluable in many areas of chemical research, including pharmaceutical, agrochemical, specialty chemical and property prediction research. In pharmaceutical research, pKa data are relevant in ligand design, protein binding, absorption, distribution, metabolism, elimination as well as solubility and dissolution rate. The pKa data compilations of the International Union of Pure and Applied Chemistry, originally in book form, have been carefully converted into computer-readable form, with value being added in the process, in the form of ionisation assignments and tautomer enumeration. These compilations offer a broad range of chemistry in both aqueous and non-aqueous media and the experimental conditions and original reference for all pKa determinations are supplied. The statistics for these compilations are presented and the utility of the computer-readable form of these compilations is examined in comparison to other pKa compilations. Finally, information is provided about how to access these databases.

Humic Acid Removal from Aqueous Environments by Electrocoagulation Process Using Iron Electrodes

Directory of Open Access Journals (Sweden)

Edris Bazrafshan

2012-01-01

Full Text Available At present study the performance of electrocoagulation process using iron electrodes sacrificial anode has been investigated for removal of HA from artificial aqueous solution. The experiments were performed in a bipolar batch reactor with four iron electrode connected in parallel. Several working parameters, such as initial pH (3, 5, 7, and 9, electrical conductivity (50 V and reaction time were studied in an attempt to achieve the highest removal capacity. Solutions of HA with concentration equal 20 mg L-1 were prepared. To follow the progress of the treatment, samples of 10 ml were taken at 15, 30, 45, 60, and 75 min interval. Finally HA concentration was measured by UV absorbance at 254 nm (UV254 and TOC concentration was measured by TOC Analyser. The maximum efficiency of HA removal which was obtained in voltage of 50 V, reaction time of 75 min, initial concentration 20 mg L-1, conductivity 3000 µS/Cm and pH 5, is equal to 92.69%. But for natural water samples at the same optimum condition removal efficiency was low (68.8 %. It can be concluded that the electrocoagulation process has the potential to be utilized for cost-effective removal of HA from aqueous environments.

Removal of Cd (II from Aqueous Media by Adsorption onto Chemically and Thermally Treated Rice Husk

Directory of Open Access Journals (Sweden)

María Camila Hoyos-Sánchez

2017-01-01

Full Text Available Chemically and thermally treated rice husks were evaluated as a potential decontaminant of toxic Cd (II in aqueous media. Rice husk (RH, a by-product from rice milling, was chemically treated with HCl and NaOH. Then, thermal treatments to 300, 500, and 700°C were applied. The chemical composition and morphological characteristics of RH were evaluated by different techniques. The specific surface area analysis of RH samples by BET nitrogen adsorption method provided specific surface areas ranging from 6 to 14 m2/g. SEM, FTIR, and EDX analyses of RH were carried out to determine the surface morphology, functional groups involved in metal binding mechanism, and C/O and C/Si ratios, respectively. The maximum Cd (II adsorption capacity was 28.27 mg/g at an optimum pH, 6.0. The kinetic studies revealed that adsorption process followed the pseudo-second-order kinetic model.

Chemical activation of tea waste and use for the removal of chromium (Vi) from aqueous solution

International Nuclear Information System (INIS)

Qureshi, K.; Bhatti, I.; Ansari, A.K.

2009-01-01

Tea waste is the residue left after the preparation of tea. At present the tea waste is regarded as a waste product having no use. In this study, tea waste is converted into an adsorbent. Tea waste is chemically activated with phosphoric acid at low temperature 450 degree C. This activated carbon is then utilized as an adsorbent for the removal of Chromium (VI) from aqueous solution. The various sorption parameters i.e pH, sorbent dose sorbate concentration, shaking time and shaking speed are first optimized. 75% of chromium from aqueous solution is effectively removed at pH 2. The best optimum conditions were obtained when 1 gm of sorbent was agitated at 100 rpm with 60 mg/l of sorbate for 50 minutes. Better results were obtained when low concentrations of sorbates were used. Hence tea waste could also be successfully used for the sorption of Chromium (VI), from industrial waste water. (author)

Ab initio investigation of the surface properties of austenitic Fe-Ni-Cr alloys in aqueous environments

Energy Technology Data Exchange (ETDEWEB)

Rák, Zs., E-mail: zrak@ncsu.edu; Brenner, D.W.

2017-04-30

Highlights: • The trend in the surface energies of austenitic stainless steels is: (111) < (100) < (110). • On the (111) orientation Ni segregates to the surface and Cr segregates into the bulk. • The surface stability of the alloys in contact with water decrease with temperature and pH. - Abstract: The surface energetics of two austenitic stainless steel alloys (Type 304 and 316) and three Ni-based alloys (Alloy 600, 690, and 800) are investigated using theoretical methods within the density functional theory. The relative stability of the low index surfaces display the same trend for all alloys; the most closely packed orientation and the most stable is the (111), followed by the (100) and the (110) surfaces. Calculations on the (111) surfaces using various surface chemical and magnetic configurations reveal that Ni has the tendency to segregate toward the surface and Cr has the tendency to segregate toward the bulk. The magnetic frustration present on the (111) surfaces plays an important role in the observed segregation tendencies of Ni and Cr. The stability of the (111) surfaces in contact with aqueous solution are evaluated as a function of temperature, pH, and concentration of aqueous species. The results indicate that the surface stability of the alloys decrease with temperature and pH, and increase slightly with concentration. Under conditions characteristic to an operating pressurized water reactor, the Ni-based alloy series appears to be of better quality than the stainless steel series with respect to corrosion resistance and release of aqueous species when in contact with aqueous solutions.

Electrokinetic Phenomena in Chemically Manipulated Environments

Science.gov (United States)

Nery Azevedo, Rodrigo

Suspended particles are integral part of many systems and engineering technologies. They can be found in the form of colloidal suspensions, emulsions, polymer precursor solutions, and in biological materials such as blood. The miniaturization of new technologies and the advent of microfludics has made the manipulation of suspended particles in the microscale particularly important for a variety of fields. The ability to easily impart complex chemical environments to suspensions in microfluidic devices enables us to characterize these systems, modify their properties and drive their motion. Nonetheless, precise manipulation of the chemistry surrounding suspended particles has been particularly difficult up until recently. This thesis dissertation shows how microfluidic devices integrated with hydrogel membranes can be used to control the chemical environment of suspended particles for a variety of studies and practical applications. First, I demonstrate how particles move diffusiophoretically under ionic surfactant gradients. Diffusiophoresis, the motion of particles under concentration gradients, has been known for several decades but it has rarely been studied experimentally outside the context of simple electrolytes. Here, we show that diffusiophoresis in ionic surfactants below the CMC can be understood in terms of the classic theory for electrolytes. Above the CMC, however, the drive for diffsuiophoresis is significantly diminished due to a large drop in the change in chemical potential with added solute. Next, I show that gradients of dipolar molecules such a zwitterions can drive diffusiophoresis. I derive the diffusiophoretic migration of particles under gradients of dipolar molecules. This theory is backed up by experiments which reveal that, in such systems, particle velocities are directly proportional to the imposed gradient but do not scale with the inverse of the local concentration, as occurs under electrolyte gradients. Furthermore, I show that the

Estimation of environment-related properties of chemicals for design of sustainable processes: development of group-contribution+ (GC+) property models and uncertainty analysis.

Science.gov (United States)

Hukkerikar, Amol Shivajirao; Kalakul, Sawitree; Sarup, Bent; Young, Douglas M; Sin, Gürkan; Gani, Rafiqul

2012-11-26

The aim of this work is to develop group-contribution(+) (GC(+)) method (combined group-contribution (GC) method and atom connectivity index (CI) method) based property models to provide reliable estimations of environment-related properties of organic chemicals together with uncertainties of estimated property values. For this purpose, a systematic methodology for property modeling and uncertainty analysis is used. The methodology includes a parameter estimation step to determine parameters of property models and an uncertainty analysis step to establish statistical information about the quality of parameter estimation, such as the parameter covariance, the standard errors in predicted properties, and the confidence intervals. For parameter estimation, large data sets of experimentally measured property values of a wide range of chemicals (hydrocarbons, oxygenated chemicals, nitrogenated chemicals, poly functional chemicals, etc.) taken from the database of the US Environmental Protection Agency (EPA) and from the database of USEtox is used. For property modeling and uncertainty analysis, the Marrero and Gani GC method and atom connectivity index method have been considered. In total, 22 environment-related properties, which include the fathead minnow 96-h LC(50), Daphnia magna 48-h LC(50), oral rat LD(50), aqueous solubility, bioconcentration factor, permissible exposure limit (OSHA-TWA), photochemical oxidation potential, global warming potential, ozone depletion potential, acidification potential, emission to urban air (carcinogenic and noncarcinogenic), emission to continental rural air (carcinogenic and noncarcinogenic), emission to continental fresh water (carcinogenic and noncarcinogenic), emission to continental seawater (carcinogenic and noncarcinogenic), emission to continental natural soil (carcinogenic and noncarcinogenic), and emission to continental agricultural soil (carcinogenic and noncarcinogenic) have been modeled and analyzed. The application

Effective removal of hexavalent mercury from aqueous solution by modified polymeric nanoadsorbent

Directory of Open Access Journals (Sweden)

Lida Rahmanzadeh

2016-07-01

Full Text Available Mercury is one of the most toxic metals present in the environment. Adsorption has been proposed among the technologies for mercury adsorbent. The kinetics of adsorption depends on the adsorbent concentration, and the physical and chemical characteristics of adsorbent. In this study we were used a novel adsorbent, magnetite-polyrhodanine core- shell nanoparticles, for removing Hg(II from aqueous solution. The effect of pH, initial Hg(II concentration, initial adsorbent concentration and contact time on the efficiency of Hg(II removal were investigated systematically by batch experiments. The maximum adsorption capacity was obtained 29.14 mg g-1 at PH=6.5 and 25°C with 10 g L-1 nano adsorbent. The kinetic data of adsorption of Hg(II ion on the synthesized adsorbent were best described by a pseudo- second- order equation, indicating their chemical adsorption. The Freundlich, Langmuir and Temkin isotherms were used to modeling of mercury adsorption on Hg(II in aqueous medium which modeled best by the Freundlich isotherm is whole concentration rage.

Calculation of liquid-liquid equilibrium of aqueous two-phase systems using a chemical-theory-based excess Gibbs energy model

Directory of Open Access Journals (Sweden)

Pessôa Filho P. A.

2004-01-01

Full Text Available Mixtures containing compounds that undergo hydrogen bonding show large deviations from ideal behavior. These deviations can be accounted for through chemical theory, according to which the formation of a hydrogen bond can be treated as a chemical reaction. This chemical equilibrium needs to be taken into account when applying stability criteria and carrying out phase equilibrium calculations. In this work, we illustrate the application of the stability criteria to establish the conditions under which a liquid-phase split may occur and the subsequent calculation of liquid-liquid equilibrium using a chemical-theory-modified Flory-Huggins equation to describe the non ideality of aqueous two-phase systems composed of poly(ethylene glycol and dextran. The model was found to be able to correlate ternary liquid-liquid diagrams reasonably well by simple adjustment of the polymer-polymer binary interaction parameter.

Stress-corrosion behavior of aluminum-lithium alloys in aqueous environments

Science.gov (United States)

Pizzo, P. P.; Galvin, R. P.; Nelson, H. G.

1983-01-01

The stress corrosion susceptibility of two powder metallurgy (P/M) alloys, Al-Li-Cu and Al-Li-Cu-Mg two mechanically attrited (M/A) alloys, Al-Li-Cu and Al-Li-Mg; and two wrought, ingot alloys, X-2020 and AA7475, are compared. Time-dependent fracture in an aqueous sodium chloride environment under alternate immersion condition was found to vary significantly between alloys. The stress corrosion behavior of the two powder metallurgy processed alloys was studied in detail under conditions of crack initiation, static crack growth, and fatigue crack growth. A variety of stress corrosion tests were performed including smooth surface, time-to-failure tests; potentiostatic tests on smooth surfaces exposed to constant applied strain rates; and fracture mechanics-type tests under static and cyclic loads. Both alloys show surface pitting and subsequent intergranular corrosion. Pitting is more severe in the magnesium-bearing alloy and is associated with stringer particles strung along the extrusion direction as a result of P/M processing.

Aqueous-based thick photoresist removal for bumping applications

Science.gov (United States)

Moore, John C.; Brewer, Alex J.; Law, Alman; Pettit, Jared M.

2015-03-01

Cleaning processes account for over 25% of processing in microelectronic manufacturing [1], suggesting electronics to be one of the most chemical intensive markets in commerce. Industry roadmaps exist to reduce chemical exposure, usage, and waste [2]. Companies are encouraged to create a safer working environment, or green factory, and ultimately become certified similar to LEED in the building industry [3]. A significant step in this direction is the integration of aqueous-based photoresist (PR) strippers which eliminate regulatory risks and cut costs by over 50%. One of the largest organic solvent usages is based upon thick PR removal during bumping processes [4-6]. Using market projections and the benefits of recycling, it is estimated that over 1,000 metric tons (mt) of residuals originating from bumping processes are incinerated or sent to a landfill. Aqueous-based stripping would eliminate this disposal while also reducing the daily risks to workers and added permitting costs. Positive-tone PR dissolves in aqueous strippers while negative-tone systems are lifted-off from the substrate, bumps, pillars, and redistribution layers (RDL). While the wafers are further processed and rinsed, the lifted-off PR is pumped from the tank, collected onto a filter, and periodically back-flushed to the trash. The PR solids become a non-hazardous plastic waste while the liquids are mixed with the developer stream, neutralized, filtered, and in most cases, disposed to the sewer. Regardless of PR thickness, removal processes may be tuned to perform in <15min, performing at rates nearly 10X faster than solvents with higher bath lives. A balanced formula is safe for metals, dielectrics, and may be customized to any fab.

Role of the chemical engineering technician in applied research related to tritium separation from aqueous effluents

International Nuclear Information System (INIS)

Nelson, S.D.

1978-01-01

Applied research and development activities related to the removal of tritium from aqueous effluent streams have presented broad opportunities to the chemical engineering technician for professional growth. Technician job activities involve operating complex analytical instrumentation and constructing, maintaining, and operating experimental electrolysis apparatus. The technician is a member of a professional team including scientific, engineering, and other technical personnel and as such is expected to exercise creative thought. Proximity of a large university and availability of formalized ''in house'' training courses provide incentives for technicians to broaden their academic base concurrent with their work involvement

Quantitative characterization of the aqueous fraction from hydrothermal liquefaction of algae

Energy Technology Data Exchange (ETDEWEB)

Maddi, Balakrishna; Panisko, Ellen; Wietsma, Thomas; Lemmon, Teresa; Swita, Marie; Albrecht, Karl; Howe, Daniel

2016-10-01

Aqueous streams generated from hydrothermal liquefaction contain approximately 30% of the total carbon present from the algal feed. Hence, this aqueous carbon must be utilized to produce liquid fuels and/or specialty chemicals for economic sustainability of hydrothermal liquefaction on industrial scale. In this study, aqueous fractions produced from the hydrothermal liquefaction of fresh water and saline water algal cultures were analyzed using a wide variety of analytical instruments to determine their compositional characteristics. This study will also inform researchers designing catalysts for down-stream processing such as high-pressure catalytic conversion of organics in aqueous phase, catalytic hydrothermal gasification, and biological conversions. Organic chemical compounds present in all eight aqueous fractions were identified using two-dimensional gas chromatography equipped with time-of-flight mass spectrometry. Identified compounds include organic acids, nitrogen compounds and aldehydes/ketones. Conventional gas chromatography and liquid chromatography methods were utilized to quantify the identified compounds. Inorganic species in the aqueous stream of hydrothermal liquefaction of algae were identified using ion chromatography and inductively coupled plasma optical emission spectrometer. The concentrations of organic chemical compounds and inorganic species are reported. The amount quantified carbon ranged from 45 to 72 % of total carbon in the aqueous fractions.

Aqueous Complexation Reactions Governing the Rate and Extent of Biogeochemical U(VI) Reduction

International Nuclear Information System (INIS)

Scott C. Brooks; Wenming Dong; Sue Carroll; James K. Fredrickson; Kenneth M. Kemner; Shelly D. Kelly

2006-01-01

The proposed research will elucidate the principal biogeochemical reactions that govern the concentration, chemical speciation, and reactivity of the redox-sensitive contaminant uranium. The results will provide an improved understanding and predictive capability of the mechanisms that govern the biogeochemical reduction of uranium in subsurface environments. In addition, the work plan is designed to: (1) Generate fundamental scientific understanding on the relationship between U(VI) chemical speciation and its susceptibility to biogeochemical reduction reactions. (2) Elucidate the controls on the rate and extent of contaminant reactivity. (3) Provide new insights into the aqueous and solid speciation of U(VI)/U(IV) under representative groundwater conditions

Magnetic Adsorption Method for the Treatment of Metal Contaminated Aqueous Waste

International Nuclear Information System (INIS)

Cotten, G.B.; Eldredge, H.B.; Navratil, J.D.

1999-01-01

There have been many recent developments in separation methods used for treating radioactive and non-radioactive metal bearing liquid wastes. These methods have included adsorption, ion exchange, solvent extraction and other chemical and physical techniques. To date very few, if any, of these processes can provide a low cost and environmentally benign solution. Recent research into the use of magnetite for wastewater treatment indicates the potential for magnetite both cost and environment drivers. A brief review of recent work in using magnetite as a sorbent is presented as well as recent work performed in our laboratory using supported magnetite in the presence of an external magnetic field. The application to groundwater and other aqueous waste streams is discussed. Recent research has focused on supporting magnetite in an economical (as compared to the magnetic polymine-epichlorohydrine resin) and inert (non-reactive, chemically or otherwise) environment that promotes both adsorption and satisfactory flow characteristics

Study on the friction of κ-carrageenan hydrogels in air and aqueous environments.

Science.gov (United States)

Kozbial, Andrew; Li, Lei

2014-03-01

Understanding the friction mechanism of polysaccharide hydrogels, which is the key component of human cartilage that has very low friction coefficient, is critical to develop next generation artificial joint replacement materials. In this study, the friction of the polysaccharide κ-carrageenan hydrogel was investigated to elucidate the effect of external load, cross-linking density, velocity, and environment on friction. Our experimental results show that (1) coefficient of friction (COF) decreases with normal load in air and remains constant in water, (2) increasing cross-linking density concurrently increases friction and is proportional to Young's modulus, (3) COF increases with testing velocity in both air and water, and (4) friction is reduced in aqueous environment due to the lubricating effect of water. The underlying frictional mechanism is discussed on the basis of water transport from bulk to surface and a previously proposed "repulsion-adsorption" model. Copyright © 2013 Elsevier B.V. All rights reserved.

Calculation of chemical equilibrium between aqueous solution and minerals: the EQ3/6 software package

International Nuclear Information System (INIS)

Wolery, T.J.

1979-01-01

The newly developed EQ/36 software package computes equilibrium models of aqueous geochemical systems. The package contains two principal programs: EQ3 performs distribution-of-species calculations for natural water compositions; EQ6 uses the results of EQ3 to predict the consequences of heating and cooling aqueous solutions and of irreversible reaction in rock--water systems. The programs are valuable for studying such phenomena as the formation of ore bodies, scaling and plugging in geothermal development, and the long-term disposal of nuclear waste. EQ3 and EQ6 are compared with such well-known geochemical codes as SOLMNEQ, WATEQ, REDEQL, MINEQL, and PATHI. The data base allows calculations in the temperature interval 0 to 350 0 C, at either 1 atm-steam saturation pressures or a constant 500 bars. The activity coefficient approximations for aqueous solutes limit modeling to solutions of ionic strength less than about one molal. The mathematical derivations and numerical techniques used in EQ6 are presented in detail. The program uses the Newton--Raphson method to solve the governing equations of chemical equilibrium for a system of specified elemental composition at fixed temperature and pressure. Convergence is aided by optimizing starting estimates and by under-relaxation techniques. The minerals present in the stable phase assemblage are found by several empirical methods. Reaction path models may be generated by using this approach in conjunction with finite differences. This method is analogous to applying high-order predictor--corrector methods to integrate a corresponding set of ordinary differential equations, but avoids propagation of error (drift). 8 figures, 9 tables

Theoretical study of the influence of chemical reactions and physical parameters on the convective dissolution of CO2 in aqueous solutions

Science.gov (United States)

Loodts, Vanessa; Rongy, Laurence; De Wit, Anne

2014-05-01

Subsurface carbon sequestration has emerged as a promising solution to the problem of increasing atmospheric carbon dioxide (CO2) levels. How does the efficiency of such a sequestration process depend on the physical and chemical characteristics of the storage site? This question is emblematic of the need to better understand the dynamics of CO2 in subsurface formations, and in particular, the properties of the convective dissolution of CO2 in the salt water of aquifers. This dissolution is known to improve the safety of the sequestration by reducing the risks of leaks of CO2 to the atmosphere. Buoyancy-driven convection makes this dissolution faster by transporting dissolved CO2 further away from the interface. Indeed, upon injection, the less dense CO2 phase rises above the aqueous layer where it starts to dissolve. The dissolved CO2 increases the density of the aqueous solution, thereby creating a layer of denser CO2-rich solution above less dense solution. This unstable density gradient in the gravity field is at the origin of convection. In this framework, we theoretically investigate the effect of CO2 pressure, salt concentration, temperature, and chemical reactions on the dissolution-driven convection of CO2 in aqueous solutions. On the basis of a linear stability analysis, we assess the stability of the time-dependent density profiles developing when CO2 dissolves in an aqueous layer below it. We predict that increasing CO2 pressure destabilizes the system with regard to buoyancy-driven convection, because it increases the density gradient at the origin of the instability. By contrast, increasing salt concentration or temperature stabilizes the system via effects on CO2 solubility, solutal expansion coefficient, diffusion coefficient and on the viscosity and density of the solution. We also show that a reaction of CO2 with chemical species dissolved in the aqueous solution can either enhance or decrease the amplitude of the convective dissolution compared

Development of oxygen and pH sensors for aqueous systems

International Nuclear Information System (INIS)

Stvartak, C.; Alcock, C.B.; Li, B.; Wang, L.; Fergus, J.W.; Bakshi, N.

1994-04-01

Corrosion science has long recognized that two of the most important parameters in characterizing the corrosivity of an aqueous environment are oxygen chemical potential and pH. These parameters not only determine the thermodynamic driving forces for various corrosion reactions, but also characterize the rates of these reactions and hence the lifetime of a particular component. The primary goal of this project is to develop an electrochemical oxygen and pH sensor for continuous use in the cycle chemistry control of power plants. In the past year, electrochemical sensors with a metal/metal oxide or metal/metal hydride internal reference electrode and a fluoride-based electrolyte tube have been developed and tested in this laboratory. The corrosion tests showed that the LaF 3 -based solid electrolyte was very stable both chemically and physically in water. Furthermore, its electrical conductivity is 4 to 5 orders of magnitude higher than that of stabilized zirconia below 573 K (300 degree C), which is the main advantage of a fluoride-based electrolyte at low temperatures. With this electrolyte and the selected internal oxygen reference electrode (Ag/Ag 2 O), the electrochemical probe demonstrated Nernstian responses to the oxygen chemical potential and pH of the aqueous solution with good reproducibility. A similar cell with Zr/ZrH 1+x as the internal hydrogen reference electrode showed promising pH sensing characteristics. It is proposed that these two cells be combined to form a double-headed electrochemical probe to determine oxygen chemical potential and pH in the solution simultaneously

Pitting morphologies of zirconium base alloys in aqueous and non aqueous chloride media

International Nuclear Information System (INIS)

Palit, G.C.; Gadiyar, H.S.

1988-01-01

Pitting morphology of zirconium and Zr-Cr alloys in aqueous chloride and nonaqueous methanol + 0.4 per cent HCl solution was investigated and observed to follow different modes in these two environments. While in aqueous chloride solution pitting was transgranular and randomly oriented, in methanol-chloride solution pits were observed to initiate and propagate along the grain boundaries. In aqueous chloride solution very irregular and sponge like zirconium metal was formed inside the pit while in methanol-chloride solution the pits were crystallographic in nature. Optical microscopy has revealed that pits preferentially initiate and propagate along scratch line in aqueous chloride solution, but such was not the case in nonaqueous methanol-chloride solution. The nature and the mechanism operating in the catastropic failure of these materials are investigated. (author). 10 refs., 11 figs

Molecular structure of dextran sulphate sodium in aqueous environment

Science.gov (United States)

Yu, Miao; Every, Hayley A.; Jiskoot, Wim; Witkamp, Geert-Jan; Buijs, Wim

2018-03-01

Here we propose a 3D-molecular structural model for dextran sulphate sodium (DSS) in a neutral aqueous environment based on the results of a molecular modelling study. The DSS structure is dominated by the stereochemistry of the 1,6-linked α-glucose units and the presence of two sulphate groups on each α-glucose unit. The structure of DSS can be best described as a helix with various patterns of di-sulphate substitution on the glucose rings. The presence of a side chain does not alter the 3D-structure of the linear main chain much, but affects the overall spatial dimension of the polymer. The simulated polymers have a diameter similar to or in some cases even larger than model α-hemolysin nano-pores for macromolecule transport in many biological processes, indicating a size-limited translocation through such pores. All results of the molecular modelling study are in line with previously reported experimental data. This study establishes the three-dimensional structure of DSS and summarizes the spatial dimension of the polymer, serving as the basis for a better understanding on the molecular level of DSS-involved electrostatic interaction processes with biological components like proteins and cell pores.

A microfluidic device for the continuous culture and analysis of Caenorhabditis elegans in a toxic aqueous environment

Science.gov (United States)

Jung, Jaehoon; Nakajima, Masahiro; Tajima, Hirotaka; Huang, Qiang; Fukuda, Toshio

2013-08-01

The nematode Caenorhabditis elegans (C. elegans) receives attention as a bioindicator, and the C. elegans condition has been recently analyzed using microfluidic devices equipped with an imaging system. To establish a method without an imaging system, we have proposed a novel microfluidic device with which to analyze the condition of C. elegans from the capacitance change using a pair of micro-electrodes. The device was designed to culture C. elegans, to expose C. elegans to an external stimulus, such as a chemical or toxicant, and to measure the capacitance change which indicates the condition of C. elegans. In this study, to demonstrate the capability of our device in a toxic aqueous environment, the device was applied to examine the effect of cadmium on C. elegans. Thirty L4 larval stage C. elegans were divided into three groups. One group was a control group and the other groups were exposed to cadmium solutions with concentrations of 5% and 10% LC50 for 24 h. The capacitance change and the body volume of C. elegans as a reference were measured four times and we confirmed the correlation between them. It shows that our device can analyze the condition of C. elegans without an imaging system.

A microfluidic device for the continuous culture and analysis of Caenorhabditis elegans in a toxic aqueous environment

International Nuclear Information System (INIS)

Jung, Jaehoon; Tajima, Hirotaka; Fukuda, Toshio; Nakajima, Masahiro; Huang, Qiang

2013-01-01

The nematode Caenorhabditis elegans (C. elegans) receives attention as a bioindicator, and the C. elegans condition has been recently analyzed using microfluidic devices equipped with an imaging system. To establish a method without an imaging system, we have proposed a novel microfluidic device with which to analyze the condition of C. elegans from the capacitance change using a pair of micro-electrodes. The device was designed to culture C. elegans, to expose C. elegans to an external stimulus, such as a chemical or toxicant, and to measure the capacitance change which indicates the condition of C. elegans. In this study, to demonstrate the capability of our device in a toxic aqueous environment, the device was applied to examine the effect of cadmium on C. elegans. Thirty L4 larval stage C. elegans were divided into three groups. One group was a control group and the other groups were exposed to cadmium solutions with concentrations of 5% and 10% LC 50 for 24 h. The capacitance change and the body volume of C. elegans as a reference were measured four times and we confirmed the correlation between them. It shows that our device can analyze the condition of C. elegans without an imaging system. (paper)

Biosensing for the Environment and Defence: Aqueous Uranyl Detection Using Bacterial Surface Layer Proteins

Directory of Open Access Journals (Sweden)

David J.R. Conroy

2010-05-01

Full Text Available The fabrication of novel uranyl (UO22+ binding protein based sensors is reported. The new biosensor responds to picomolar levels of aqueous uranyl ions within minutes using Lysinibacillus sphaericus JG-A12 S-layer protein tethered to gold electrodes. In comparison to traditional self assembled monolayer based biosensors the porous bioconjugated layer gave greater stability, longer electrode life span and a denser protein layer. Biosensors responded specifically to UO22+ ions and showed minor interference from Ni2+, Cs+, Cd2+ and Co2+. Chemical modification of JG-A12 protein phosphate and carboxyl groups prevented UO22+ binding, showing that both moieties are involved in the recognition to UO22+.

Spectroscopic analyses of chemical adaptation processes within microalgal biomass in response to changing environments

Energy Technology Data Exchange (ETDEWEB)

Vogt, Frank, E-mail: fvogt@utk.edu; White, Lauren

2015-03-31

Highlights: • Microalgae transform large quantities of inorganics into biomass. • Microalgae interact with their growing environment and adapt their chemical composition. • Sequestration capabilities are dependent on cells’ chemical environments. • We develop a chemometric hard-modeling to describe these chemical adaptation dynamics. • This methodology will enable studies of microalgal compound sequestration. - Abstract: Via photosynthesis, marine phytoplankton transforms large quantities of inorganic compounds into biomass. This has considerable environmental impacts as microalgae contribute for instance to counter-balancing anthropogenic releases of the greenhouse gas CO{sub 2}. On the other hand, high concentrations of nitrogen compounds in an ecosystem can lead to harmful algae blooms. In previous investigations it was found that the chemical composition of microalgal biomass is strongly dependent on the nutrient availability. Therefore, it is expected that algae’s sequestration capabilities and productivity are also determined by the cells’ chemical environments. For investigating this hypothesis, novel analytical methodologies are required which are capable of monitoring live cells exposed to chemically shifting environments followed by chemometric modeling of their chemical adaptation dynamics. FTIR-ATR experiments have been developed for acquiring spectroscopic time series of live Dunaliella parva cultures adapting to different nutrient situations. Comparing experimental data from acclimated cultures to those exposed to a chemically shifted nutrient situation reveals insights in which analyte groups participate in modifications of microalgal biomass and on what time scales. For a chemometric description of these processes, a data model has been deduced which explains the chemical adaptation dynamics explicitly rather than empirically. First results show that this approach is feasible and derives information about the chemical biomass

Spectroscopic analyses of chemical adaptation processes within microalgal biomass in response to changing environments

International Nuclear Information System (INIS)

Vogt, Frank; White, Lauren

2015-01-01

Highlights: • Microalgae transform large quantities of inorganics into biomass. • Microalgae interact with their growing environment and adapt their chemical composition. • Sequestration capabilities are dependent on cells’ chemical environments. • We develop a chemometric hard-modeling to describe these chemical adaptation dynamics. • This methodology will enable studies of microalgal compound sequestration. - Abstract: Via photosynthesis, marine phytoplankton transforms large quantities of inorganic compounds into biomass. This has considerable environmental impacts as microalgae contribute for instance to counter-balancing anthropogenic releases of the greenhouse gas CO 2 . On the other hand, high concentrations of nitrogen compounds in an ecosystem can lead to harmful algae blooms. In previous investigations it was found that the chemical composition of microalgal biomass is strongly dependent on the nutrient availability. Therefore, it is expected that algae’s sequestration capabilities and productivity are also determined by the cells’ chemical environments. For investigating this hypothesis, novel analytical methodologies are required which are capable of monitoring live cells exposed to chemically shifting environments followed by chemometric modeling of their chemical adaptation dynamics. FTIR-ATR experiments have been developed for acquiring spectroscopic time series of live Dunaliella parva cultures adapting to different nutrient situations. Comparing experimental data from acclimated cultures to those exposed to a chemically shifted nutrient situation reveals insights in which analyte groups participate in modifications of microalgal biomass and on what time scales. For a chemometric description of these processes, a data model has been deduced which explains the chemical adaptation dynamics explicitly rather than empirically. First results show that this approach is feasible and derives information about the chemical biomass adaptations

Nanostructured ZnO thin films by chemical bath deposition in basic aqueous ammonia solutions for photovoltaic applications

Energy Technology Data Exchange (ETDEWEB)

Chu, J.B.; Huang, S.M.; Zhang, D.W.; Bian, Z.Q.; Li, X.D.; Sun, Z. [East China Normal University, Engineering Research Center for Nanophotonics and Advanced Instrument, Ministry of Education, Department of Physics, Shanghai (China); Yin, X.J. [Singapore Polytechnic, Advanced Materials Technology Center, Singapore (Singapore)

2009-06-15

This paper presents further insights and observations of the chemical bath deposition (CBD) of ZnS thin films using an aqueous medium involving Zn-salt, ammonium sulfate, aqueous ammonia, and thiourea. Results on physical and chemical properties of the grown layers as a function of ammonia concentration are reported. Physical and chemical properties were analyzed using scanning electron microscopy (SEM), X-ray energy dispersive (EDX), and X-ray diffraction (XRD). Rapid growth of nanostructured ZnO films on fluorine-doped SnO{sub 2} (FTO) glass substrates was developed. ZnO films crystallized in a wurtzite hexagonal structure and with a very small quantity of Zn(OH){sub 2} and ZnS phases were obtained for the ammonia concentration ranging from 0.75 to 2.0 M. Flower-like and columnar nanostructured ZnO films were deposited in two ammonia concentration ranges, respectively: one between 0.75 and 1.0 M and the other between 1.4 and 2.0 M. ZnS films were formed with a high ammonia concentration of 3.0 M. The formation mechanisms of ZnO, Zn(OH){sub 2}, and ZnS phases were discussed in the CBD process. The developed technique can be used to directly and rapidly grow nanostructured ZnO film photoanodes. Annealed ZnO nanoflower and columnar nanoparticle films on FTO substrates were used as electrodes to fabricate the dye sensitized solar cells (DSSCs). The DSSC based on ZnO-nanoflower film showed an energy conversion efficiency of 0.84%, which is higher compared to that (0.45%) of the cell being constructed using a photoanode of columnar nanoparticle ZnO film. The results have demonstrated the potential applications of CBD nanostructured ZnO films for photovoltaic cells. (orig.)

Is there an aerosol signature of aqueous processing?

Science.gov (United States)

Ervens, B.; Sorooshian, A.

2017-12-01

The formation of aerosol mass in cloud water has been recognized as a substantial source of atmospheric aerosol mass. While sulfate formation can be relatively well constrained, the formation of secondary organic aerosol mass in the aqueous phase (aqSOA) is much more complex due to the multitude of precursors and variety in chemical processes. Aqueous phase processing adds aerosol mass to the droplet mode, which is formed due to mass addition to activated particles in clouds. In addition, it has been shown that aqSOA mass has specific characteristics in terms of oxidation state and hygroscopicity that might help to distinguish it from other SOA sources. Many models do not include detailed chemical mechanisms of sulfate and aqSOA formation and also lack details on the mass distribution of newly formed mass. Mass addition inside and outside clouds modifies different parts of an aerosol population and consequently affects predictions of properties and lifetime of particles. Using a combination of field data analysis and model studies for a variety of air masses, we will show which chemical and physical aerosol properties can be used, in order to identify an `aqueous phase signature' in processed aerosol populations. We will discuss differences in this signature in clean (e.g., background), moderately polluted (e.g., urban) and highly polluted (e.g., biomass burning) air masses and suggest air-mass-specific chemical and/or physical properties that will help to quantify the aqueous-phase derived aerosol mass.

Experimental Determination of Drug Diffusion Coefficients in Unstirred Aqueous Environments by Temporally Resolved Concentration Measurements

DEFF Research Database (Denmark)

Di Cagno, Massimiliano Pio; Clarelli, Fabrizio; Vabenø, Jon

2018-01-01

or the need for dedicated instrumentation. In this work, a simple but reliable method based on time resolved concentration measurements by UV-visible spectroscopy in an unstirred aqueous environment was developed. This method is based on spectroscopic measurement of the variation of the local concentration...... characteristics (i.e. ionic strength and presence of complexing agents) on the diffusivity. The method can be employed in any research laboratory equipped with a standard UV-visible spectrophotometer, and could become a useful and straightforward tool in order to characterize diffusion coefficients...

Microwave-assisted synthesis of bio-active heterocycles in aqueous media

KAUST Repository

Polshettiwar, Vivek

2010-01-01

Synthesis of bio-active heterocycles and fine chemicals in aqueous media are one of the best solutions for the development of green and sustainable protocols. To illustrate the advantages of aqueous MW chemistry in heterocycle synthesis, in this chapter, various synthetic pathways developed in recent years in aqueous reaction media using microwave irradiation are described.

Chemical basis for minimal cognition

DEFF Research Database (Denmark)

Hanczyc, Martin; Ikegami, Takashi

tension between the drop of oil and its environment. We embed a chemical reaction in the oil phase that reacts with water when an oily precursor comes in contact with the water phase at the liquidliquid interface. This reaction not only powers the droplet to move in the aqueous phase but also allows...... for sustained movement. The direction of the movement is governed by a self-generated pH gradient that surrounds the droplet. In addition this self-generated gradient can be overridden by an externally imposed pH gradient, and therefore the direction of droplet motion may be controlled. Also we noticed...... that convection flow is generated inside the oil droplet to cause the movement, which was also confirmed by simulating the fluid dynamics integrated with chemical reactions (Matsuno et al., 2007, ACAL 07, Springer, p.179, Springer). We can observe that the droplet senses the gradient in the environment (either...

ENGINEERED BARRIER SYSTEM: PHYSICAL AND CHEMICAL ENVIRONMENT

International Nuclear Information System (INIS)

R. Jarek

2005-01-01

The purpose of this model report is to describe the evolution of the physical and chemical environmental conditions within the waste emplacement drifts of the repository, including the drip shield and waste package surfaces. The resulting seepage evaporation and gas abstraction models are used in the total system performance assessment for the license application (TSPA-LA) to assess the performance of the engineered barrier system and the waste form. This report develops and documents a set of abstraction-level models that describe the engineered barrier system physical and chemical environment. Where possible, these models use information directly from other reports as input, which promotes integration among process models used for TSPA-LA. Specific tasks and activities of modeling the physical and chemical environment are included in ''Technical Work Plan for: Near-Field Environment and Transport In-Drift Geochemistry Model Report Integration'' (BSC 2005 [DIRS 173782], Section 1.2.2). As described in the technical work plan, the development of this report is coordinated with the development of other engineered barrier system reports. To be consistent with other project documents that address features, events, and processes (FEPs), Table 6.14.1 of the current report includes updates to FEP numbers and FEP subjects for two FEPs identified in the technical work plan (TWP) governing this report (BSC 2005 [DIRS 173782]). FEP 2.1.09.06.0A (Reduction-oxidation potential in EBS), as listed in Table 2 of the TWP (BSC 2005 [DIRS 173782]), has been updated in the current report to FEP 2.1.09.06.0B (Reduction-oxidation potential in Drifts; see Table 6.14-1). FEP 2.1.09.07.0A (Reaction kinetics in EBS), as listed in Table 2 of the TWP (BSC 2005 [DIRS 173782]), has been updated in the current report to FEP 2.1.09.07.0B (Reaction kinetics in Drifts; see Table 6.14-1). These deviations from the TWP are justified because they improve integration with FEPs documents. The updates

Esperance: Multiple episodes of aqueous alteration involving fracture fills and coatings at Matijevic Hill, Mars

Science.gov (United States)

Clark, Benton C.; Morris, Richard V.; Herkenhoff, Kenneth E.; Farrand, William H.; Gellert, Ralf; Jolliff, Bradley L.; Arvidson, Raymond E.; Squyres, Steven W.; Mittelfehldt, David W.; Ming, Douglas W.; Yen, Albert S.

2016-01-01

In the search for evidence of past aqueous activity by the Mars Exploration Rover Opportunity, fracture-filling veins and rock coatings are prime candidates for exploration. At one location within a segment of remaining rim material surrounding Endeavour Crater, a set of “boxwork” fractures in an outcrop called Esperance are filled by a bright, hydrated, and highly siliceous (SiO2 ~ 66 wt%) material, which has overall a montmorillonite-like chemical composition. This material is partially covered by patches of a thin, dark coating that is sulfate-rich (SO3 ~ 21 wt%) but also contains significant levels of Si, Fe, Ca, and Mg. The simultaneous presence of abundant S, Si, and Fe indicates significant mineralogical complexity within the coating. This combination of vein and coating compositions is unlike previous analyses on Mars. Both materials are heterogeneously eroded, presumably by eolian abrasion. The evidence indicates at least two separate episodes of solute precipitation from aqueous fluids at this location, possibly widely separated in time. In addition to the implications for multiple episodes of alteration at the surface of the planet, aqueous chemical environments such as these would have been habitable at the time of their formation and are also favorable for preservation of organic material.

A computational environment for creating and testing reduced chemical kinetic mechanisms

Energy Technology Data Exchange (ETDEWEB)

Montgomery, C.J.; Swensen, D.A.; Harding, T.V.; Cremer, M.A.; Bockelie, M.J. [Reaction Engineering International, Salt Lake City, UT (USA)

2002-02-01

This paper describes software called computer assisted reduced mechanism problem solving environment (CARM-PSE) that gives the engineer the ability to rapidly set up, run and examine large numbers of problems comparing detailed and reduced (approximate) chemistry. CARM-PSE integrates the automatic chemical mechanism reduction code CARM and the codes that simulate perfectly stirred reactors and plug flow reactors into a user-friendly computational environment. CARM-PSE gives the combustion engineer the ability to easily test chemical approximations over many hundreds of combinations of inputs in a multidimensional parameter space. The demonstration problems compare detailed and reduced chemical kinetic calculations for methane-air combustion, including nitrogen oxide formation, in a stirred reactor and selective non-catalytic reduction of NOx, in coal combustion flue gas.

Computational Protocols for Prediction of Solute NMR Relative Chemical Shifts. A Case Study of L-Tryptophan in Aqueous Solution

DEFF Research Database (Denmark)

Eriksen, Janus J.; Olsen, Jógvan Magnus H.; Aidas, Kestutis

2011-01-01

to the results stemming from the conformations extracted from the MM conformational search in terms of replicating an experimental reference as well as in achieving the correct sequence of the NMR relative chemical shifts of L-tryptophan in aqueous solution. We find this to be due to missing conformations......In this study, we have applied two different spanning protocols for obtaining the molecular conformations of L-tryptophan in aqueous solution, namely a molecular dynamics simulation and a molecular mechanics conformational search with subsequent geometry re-optimization of the stable conformers...... using a quantum mechanically based method. These spanning protocols represent standard ways of obtaining a set of conformations on which NMR calculations may be performed. The results stemming from the solute–solvent configurations extracted from the MD simulation at 300 K are found to be inferior...

Aqueous chemical growth and patterning of ZnO nanopillars on different substrate materials

Energy Technology Data Exchange (ETDEWEB)

Kreye, M.; Postels, B.; Wehmann, H.H.; Waag, A. [Institute of Semiconductor Technology, Technical University of Braunschweig, Hans-Sommer-Strasse 66, 38106 Braunschweig (Germany); Fuhrmann, D.; Hangleiter, A. [Institute of Applied Physics, Technical University of Braunschweig, Mendelssohnstrasse 2, 38106 Braunschweig (Germany)

2006-03-15

Aqueous chemical growth (ACG) is a low-temperature approach that is only weakly influenced by the substrate and allows for the growth of ZnO nanopillars on various substrates. ACG is an efficient way to generate wafer-scale and densely packed arrays of ZnO nanopillars even on polymer materials. Photoluminescence (PL) characterisation clearly shows a comparatively strong band-edge luminescence even at room temperature that is accompanied with a rather weak visible luminescence in the yellow/orange spectral range. We introduce a rather simple postgrowth lithographic technique. Patterning of ZnO nanopillars even on layered conducting and flexible substrate materials using ACG as a low-temperature growth technique is demonstrated. The economical potential for future applications and devices using ZnO nanopillar arrays is discussed. (copyright 2006 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Single-Molecule Electronics: Chemical and Analytical Perspectives.

Science.gov (United States)

Nichols, Richard J; Higgins, Simon J

2015-01-01

It is now possible to measure the electrical properties of single molecules using a variety of techniques including scanning probe microcopies and mechanically controlled break junctions. Such measurements can be made across a wide range of environments including ambient conditions, organic liquids, ionic liquids, aqueous solutions, electrolytes, and ultra high vacuum. This has given new insights into charge transport across molecule electrical junctions, and these experimental methods have been complemented with increasingly sophisticated theory. This article reviews progress in single-molecule electronics from a chemical perspective and discusses topics such as the molecule-surface coupling in electrical junctions, chemical control, and supramolecular interactions in junctions and gating charge transport. The article concludes with an outlook regarding chemical analysis based on single-molecule conductance.

Microwave-assisted synthesis of bio-active heterocycles in aqueous media

KAUST Repository

Polshettiwar, Vivek; Varma, Rajender S.

2010-01-01

Synthesis of bio-active heterocycles and fine chemicals in aqueous media are one of the best solutions for the development of green and sustainable protocols. To illustrate the advantages of aqueous MW chemistry in heterocycle synthesis

Chemical compounds from anthropogenic environment and immune evasion mechanisms: potential interactions

Science.gov (United States)

Kravchenko, Julia; Corsini, Emanuela; Williams, Marc A.; Decker, William; Manjili, Masoud H.; Otsuki, Takemi; Singh, Neetu; Al-Mulla, Faha; Al-Temaimi, Rabeah; Amedei, Amedeo; Colacci, Anna Maria; Vaccari, Monica; Mondello, Chiara; Scovassi, A. Ivana; Raju, Jayadev; Hamid, Roslida A.; Memeo, Lorenzo; Forte, Stefano; Roy, Rabindra; Woodrick, Jordan; Salem, Hosni K.; Ryan, Elizabeth P.; Brown, Dustin G.; Lowe, Leroy; Lyerly, H.Kim

2015-01-01

An increasing number of studies suggest an important role of host immunity as a barrier to tumor formation and progression. Complex mechanisms and multiple pathways are involved in evading innate and adaptive immune responses, with a broad spectrum of chemicals displaying the potential to adversely influence immunosurveillance. The evaluation of the cumulative effects of low-dose exposures from the occupational and natural environment, especially if multiple chemicals target the same gene(s) or pathway(s), is a challenge. We reviewed common environmental chemicals and discussed their potential effects on immunosurveillance. Our overarching objective was to review related signaling pathways influencing immune surveillance such as the pathways involving PI3K/Akt, chemokines, TGF-β, FAK, IGF-1, HIF-1α, IL-6, IL-1α, CTLA-4 and PD-1/PDL-1 could individually or collectively impact immunosurveillance. A number of chemicals that are common in the anthropogenic environment such as fungicides (maneb, fluoxastrobin and pyroclostrobin), herbicides (atrazine), insecticides (pyridaben and azamethiphos), the components of personal care products (triclosan and bisphenol A) and diethylhexylphthalate with pathways critical to tumor immunosurveillance. At this time, these chemicals are not recognized as human carcinogens; however, it is known that they these chemicalscan simultaneously persist in the environment and appear to have some potential interfere with the host immune response, therefore potentially contributing to promotion interacting with of immune evasion mechanisms, and promoting subsequent tumor growth and progression. PMID:26002081

Stress-corrosion behavior of aluminum-lithium alloys in aqueous salt environments

Science.gov (United States)

Pizzo, P. P.; Galvin, R. P.; Nelson, H. G.

1984-01-01

The stress corrosion susceptibility of two powder metallurgy (P/M) alloys, Al-Li-Cu and Al-Li-Cu-Mg; two mechanically attrited (M/A) alloys, Al-Li-Cu and Al-Li-Mg; and two wrought, ingot alloys, X-2020 and AA7475, are compared. Time-dependent fracture in an aqueous sodium chloride environment under alternate immersion condition was found to vary significantly between alloys. The stress corrosion behavior of the two powder metallurgy processed alloys was studied in detail under conditions of crack initiation, static crack growth, and fatigue crack growth. A variety of stress corrosion tests were performed including smooth surface, time-to-failure tests; potentiostatic tests on smooth surfaces exposed to constant applied strain rates; and fracture mechanics-type tests under static and cyclic loads. Both alloys show surface pitting and subsequent intergranular corrosion. Pitting is more severe in the magnesium-bearing alloy and is associated with stringer particles strung along the extrusion direction as a result of P/M processing.

Exploring consumer exposure pathways and patterns of use for chemicals in the environment through the Chemical/Product Categories Database

Science.gov (United States)

Exploring consumer exposure pathways and patterns of use for chemicals in the environment through the Chemical/Product Categories Database (CPCat) (Presented by: Kathie Dionisio, Sc.D., NERL, US EPA, Research Triangle Park, NC (1/23/2014).

Fiber-Optic Chemiluminescent Biosensors for Monitoring Aqueous Alcohols and Other Water Quality Parameters

Science.gov (United States)

Verostko, Charles E. (Inventor); Atwater, James E. (Inventor); Akse, James R. (Inventor); DeHart, Jeffrey L. (Inventor); Wheeler, Richard R. (Inventor)

1998-01-01

A "reagentless" chemiluminescent biosensor and method for the determination of hydrogen peroxide, ethanol and D-glucose in water is disclosed. An aqueous stream is basified by passing it through a solid phase base bed. Luminol is then dissolved in the basified effluent at a controlled rate. Oxidation of the luminol is catalyzed by the target chemical to produce emitted light. The intensity of the emitted light is detected as a measure of the target chemical concentration in the aqueous stream. The emitted light can be transmitted by a fiber optic bundle to a remote location from the aqueous stream for a remote reading of the target chemical concentration.

Radiation chemistry of aqueous solutions of acetonitrile and propionitrile

International Nuclear Information System (INIS)

Shushtarian, M.J.

1975-01-01

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

Formation and disappearance of superoxide radicals in aqueous solutions

International Nuclear Information System (INIS)

Allen, A.O.; Bielski, B.H.J.

1980-01-01

A literature review of superoxide radicals in aqueous solutions is presented covering the following: history; methods of formation of aqueous HO 2 /HO 2 - by radiolysis and photolysis, electrolysis, mixing nonaqueous solutions into water, chemical reactions, enzymatic generation of O 2 - , and photosensitization; and properties of HO 2 /O 2 - in aqueous solution, which cover spontaneous dismutation rates, pk and absorption spectra, catalyzed dismutation, thermodynamics and the so-called Haber-Weiss Reaction

A Stable Metal-Organic Framework Featuring a Local Buffer Environment for Carbon Dioxide Fixation.

Science.gov (United States)

He, Hongming; Sun, Qi; Gao, Wenyang; Perman, Jason A; Sun, Fuxing; Zhu, Guangshan; Aguila, Briana; Forrest, Katherine; Space, Brian; Ma, Shengqian

2018-04-16

A majority of metal-organic frameworks (MOFs) fail to preserve their physical and chemical properties after exposure to acidic, neutral, or alkaline aqueous solutions, therefore limiting their practical applications in many areas. The strategy demonstrated herein is the design and synthesis of an organic ligand that behaves as a buffer to drastically boost the aqueous stability of a porous MOF (JUC-1000), which maintains its structural integrity at low and high pH values. The local buffer environment resulting from the weak acid-base pairs of the custom-designed organic ligand also greatly facilitates the performance of JUC-1000 in the chemical fixation of carbon dioxide under ambient conditions, outperforming a series of benchmark catalysts. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Determination of chemical form of iodine with IC-ICP-MS system and its application to the environmental samples

International Nuclear Information System (INIS)

Yoshida, S.; Katou, S.; Sekimoto, H.; Muramatsu, Y.

2005-01-01

Iodine-129 is one of the important radionuclides possibly released into the environment from nuclear weapons testing and from the nuclear facilities such as nuclear fuel reprocessing plants. Because of its long half-life (1.57 x 10 7 y), knowing its long-term behavior in the environment is a major concern. As I-129 is expected to act together with stable iodine (I-127) in the environment after long time, the biogeochemical cycling of stable iodine in the environment can be used for the reliable safety assessment of I-129. Chemical form is the one of the important factors controlling the 'iodine behavior in the environment. Iodide (I - ) and iodate (IO 3 - ) are known to be the major chemical form in the aqueous solution. However, the information on the chemical form of iodine in the environmental sample is limited because of lack of reliable analytical technique for trace level of iodine in the environment. In this study, the analytical system by using ion chromatograph (IC) followed by inductively coupled plasma mass spectrometry (ICP-MS) was developed for the separate determination of I - and IO 3 - in the aqueous solution. The IC with anion exchange column (EXCELPAK ICS-A23) was used for the separation of I - and IO 3 - with 30 mM (NH 4 ) 2 CO 3 as eluent. Separated iodine was determined with ICP-MS on line. with the detection limit 0.1 - 1 μg/L. The total iodine concentration was also measured by the direct determination with ICP-MS. The iodine in the several environmental samples such as irrigation water in paddy field was successfully determined with information of chemical form. In incubation experiment with flooded soil, the change of the chemical form of iodine in the soil solution with change of Eh was observed. Detailed data will be discussed in the presentation.

Chemical compounds from anthropogenic environment and immune evasion mechanisms: potential interactions.

Science.gov (United States)

Kravchenko, Julia; Corsini, Emanuela; Williams, Marc A; Decker, William; Manjili, Masoud H; Otsuki, Takemi; Singh, Neetu; Al-Mulla, Faha; Al-Temaimi, Rabeah; Amedei, Amedeo; Colacci, Anna Maria; Vaccari, Monica; Mondello, Chiara; Scovassi, A Ivana; Raju, Jayadev; Hamid, Roslida A; Memeo, Lorenzo; Forte, Stefano; Roy, Rabindra; Woodrick, Jordan; Salem, Hosni K; Ryan, Elizabeth P; Brown, Dustin G; Bisson, William H; Lowe, Leroy; Lyerly, H Kim

2015-06-01

An increasing number of studies suggest an important role of host immunity as a barrier to tumor formation and progression. Complex mechanisms and multiple pathways are involved in evading innate and adaptive immune responses, with a broad spectrum of chemicals displaying the potential to adversely influence immunosurveillance. The evaluation of the cumulative effects of low-dose exposures from the occupational and natural environment, especially if multiple chemicals target the same gene(s) or pathway(s), is a challenge. We reviewed common environmental chemicals and discussed their potential effects on immunosurveillance. Our overarching objective was to review related signaling pathways influencing immune surveillance such as the pathways involving PI3K/Akt, chemokines, TGF-β, FAK, IGF-1, HIF-1α, IL-6, IL-1α, CTLA-4 and PD-1/PDL-1 could individually or collectively impact immunosurveillance. A number of chemicals that are common in the anthropogenic environment such as fungicides (maneb, fluoxastrobin and pyroclostrobin), herbicides (atrazine), insecticides (pyridaben and azamethiphos), the components of personal care products (triclosan and bisphenol A) and diethylhexylphthalate with pathways critical to tumor immunosurveillance. At this time, these chemicals are not recognized as human carcinogens; however, it is known that they these chemicalscan simultaneously persist in the environment and appear to have some potential interfere with the host immune response, therefore potentially contributing to promotion interacting with of immune evasion mechanisms, and promoting subsequent tumor growth and progression. © The Author 2015. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

Mechanisms of chemical vapor generation by aqueous tetrahydridoborate. Recent developments toward the definition of a more general reaction model

Science.gov (United States)

D'Ulivo, Alessandro

2016-05-01

A reaction model describing the reactivity of metal and semimetal species with aqueous tetrahydridoborate (THB) has been drawn taking into account the mechanism of chemical vapor generation (CVG) of hydrides, recent evidences on the mechanism of interference and formation of byproducts in arsane generation, and other evidences in the field of the synthesis of nanoparticles and catalytic hydrolysis of THB by metal nanoparticles. The new "non-analytical" reaction model is of more general validity than the previously described "analytical" reaction model for CVG. The non-analytical model is valid for reaction of a single analyte with THB and for conditions approaching those typically encountered in the synthesis of nanoparticles and macroprecipitates. It reduces to the previously proposed analytical model under conditions typically employed in CVG for trace analysis (analyte below the μM level, borane/analyte ≫ 103 mol/mol, no interference). The non-analytical reaction model is not able to explain all the interference effects observed in CVG, which can be achieved only by assuming the interaction among the species of reaction pathways of different analytical substrates. The reunification of CVG, the synthesis of nanoparticles by aqueous THB and the catalytic hydrolysis of THB inside a common frame contribute to rationalization of the complex reactivity of aqueous THB with metal and semimetal species.

Radiation resistance of organic azo dyes in aqueous solutions

International Nuclear Information System (INIS)

Khabarov, V.N.; Kozlov, L.L.

1987-01-01

The resistance to the action of the ionizing radiation of aqueous and aqueous-alcoholic solutions of organic mono- and diazo dyes was studied. The radiation chemical yield of decolorization of the dye, determined from the kinetic decolorization curves served as a quantitative criterion of the radiation resistance. The influence of pH, addition of ethanol, hydroquinone, thiourea, glucose and oxygen on the radiation resistance of the azo dyes was studied. An attempt was made to relate the efficiency of radiation decolorization to the chemical nature of the dye

ENGINEERED BARRIER SYSTEM: PHYSICAL AND CHEMICAL ENVIRONMENT

Energy Technology Data Exchange (ETDEWEB)

R. Jarek

2005-08-29

The purpose of this model report is to describe the evolution of the physical and chemical environmental conditions within the waste emplacement drifts of the repository, including the drip shield and waste package surfaces. The resulting seepage evaporation and gas abstraction models are used in the total system performance assessment for the license application (TSPA-LA) to assess the performance of the engineered barrier system and the waste form. This report develops and documents a set of abstraction-level models that describe the engineered barrier system physical and chemical environment. Where possible, these models use information directly from other reports as input, which promotes integration among process models used for TSPA-LA. Specific tasks and activities of modeling the physical and chemical environment are included in ''Technical Work Plan for: Near-Field Environment and Transport In-Drift Geochemistry Model Report Integration'' (BSC 2005 [DIRS 173782], Section 1.2.2). As described in the technical work plan, the development of this report is coordinated with the development of other engineered barrier system reports. To be consistent with other project documents that address features, events, and processes (FEPs), Table 6.14.1 of the current report includes updates to FEP numbers and FEP subjects for two FEPs identified in the technical work plan (TWP) governing this report (BSC 2005 [DIRS 173782]). FEP 2.1.09.06.0A (Reduction-oxidation potential in EBS), as listed in Table 2 of the TWP (BSC 2005 [DIRS 173782]), has been updated in the current report to FEP 2.1.09.06.0B (Reduction-oxidation potential in Drifts; see Table 6.14-1). FEP 2.1.09.07.0A (Reaction kinetics in EBS), as listed in Table 2 of the TWP (BSC 2005 [DIRS 173782]), has been updated in the current report to FEP 2.1.09.07.0B (Reaction kinetics in Drifts; see Table 6.14-1). These deviations from the TWP are justified because they improve integration with FEPs

Chemical environments of submarine hydrothermal systems

Science.gov (United States)

Shock, Everett L.

1992-01-01

Perhaps because black-smoker chimneys make tremendous subjects for magazine covers, the proposal that submarine hydrothermal systems were involved in the origin of life has caused many investigators to focus on the eye-catching hydrothermal vents. In much the same way that tourists rush to watch the spectacular eruptions of Old Faithful geyser with little regard for the hydrology of the Yellowstone basin, attention is focused on the spectacular, high-temperature hydrothermal vents to the near exclusion of the enormous underlying hydrothermal systems. Nevertheless, the magnitude and complexity of geologic structures, heat flow, and hydrologic parameters which characterize the geyser basins at Yellowstone also characterize submarine hydrothermal systems. However, in the submarine systems the scale can be considerably more vast. Like Old Faithful, submarine hydrothermal vents have a spectacular quality, but they are only one fascinating aspect of enormous geologic systems operating at seafloor spreading centers throughout all of the ocean basins. A critical study of the possible role of hydrothermal processes in the origin of life should include the full spectrum of probable environments. The goals of this chapter are to synthesize diverse information about the inorganic geochemistry of submarine hydrothermal systems, assemble a description of the fundamental physical and chemical attributes of these systems, and consider the implications of high-temperature, fluid-driven processes for organic synthesis. Information about submarine hydrothermal systems comes from many directions. Measurements made directly on venting fluids provide useful, but remarkably limited, clues about processes operating at depth. The oceanic crust has been drilled to approximately 2.0 km depth providing many other pieces of information, but drilling technology has not allowed the bore holes and core samples to reach the maximum depths to which aqueous fluids circulate in oceanic crust. Such

Removal of Cr(VI) from Aqueous Environments Using Micelle-Clay Adsorption

Science.gov (United States)

Qurie, Mohannad; Khamis, Mustafa; Manassra, Adnan; Ayyad, Ibrahim; Nir, Shlomo; Scrano, Laura; Bufo, Sabino A.; Karaman, Rafik

2013-01-01

Removal of Cr(VI) from aqueous solutions under different conditions was investigated using either clay (montmorillonite) or micelle-clay complex, the last obtained by adsorbing critical micelle concentration of octadecyltrimethylammonium ions onto montmorillonite. Batch experiments showed the effects of contact time, adsorbent dosage, and pH on the removal efficiency of Cr(VI) from aqueous solutions. Langmuir adsorption isotherm fitted the experimental data giving significant results. Filtration experiments using columns filled with micelle-clay complex mixed with sand were performed to assess Cr(VI) removal efficiency under continuous flow at different pH values. The micelle-clay complex used in this study was capable of removing Cr(VI) from aqueous solutions without any prior acidification of the sample. Results demonstrated that the removal effectiveness reached nearly 100% when using optimal conditions for both batch and continuous flow techniques. PMID:24222757

Compared assessment of chemical risk and radiological risk for the environment

International Nuclear Information System (INIS)

Beaugelin-Seiller, K.; Garnier-Laplace, J.

2007-01-01

The environmental protection is today a global issue that concerns all the human activities. The challenge is to be able to prove their compatibility with the protection of the natural environment, but also if required to manage adequately a potential or established risk, generally in the context of ever strict regulations. Regarding the chemical aspects, known methods are available for the assessment of the associated risk for the environment. From the radiological point of view, the necessity to have such tools recently became more apparent, in order to justify for the public and with a full transparency the release of radioactive substances into the environment, to meet the requirements of the new regulations in terms of environmental protection and finally to harmonize the approaches between human and environmental radioprotection as well as between chemical and radioactive pollutants, simultaneously present for example in routine releases from nuclear power plants. At this end of harmonization, the assessment methodologies of the environmental risk linked to radionuclides or chemical substances are exposed from the theory to their comparative application, a new approach under development from which the first results are summarised. (authors)

Aqueous Stability of Alkali Superionic Conductors from First-Principles Calculations

International Nuclear Information System (INIS)

Radhakrishnan, Balachandran; Ong, Shyue Ping

2016-01-01

Ceramic alkali superionic conductor solid electrolytes (SICEs) play a prominent role in the development of rechargeable alkali-ion batteries, ranging from replacement of organic electrolytes to being used as separators in aqueous batteries. The aqueous stability of SICEs is an important property in determining their applicability in various roles. In this work, we analyze the aqueous stability of twelve well-known Li-ion and Na-ion SICEs using Pourbaix diagrams constructed from first-principles calculations. We also introduce a quantitative free-energy measure to compare the aqueous stability of SICEs under different environments. Our results show that though oxides are, in general, more stable in aqueous environments than sulfides and halide-containing chemistries, the cations present play a crucial role in determining whether solid phases are formed within the voltage and pH ranges of interest.

The effect of aqueous environments upon the initiation and propagation of fatigue cracks in low-alloy steels

International Nuclear Information System (INIS)

James, L.A.

1996-01-01

The effect of elevated temperature aqueous environments upon the initiation and propagation of fatigue cracks in low-alloy steels is discussed in terms of the several parameters which influence such behavior. These parameters include water chemistry, impurities within the steels themselves, as well as factors such as the water flow rate, loading waveform and loading rates. Some of these parameters have similar effects upon both crack initiation and propagation, while others exhibit different effects in the two stages of cracking. In the case of environmentally-assisted crack (EAC) growth, the most important impurities within the steel are metallurgical sulfide inclusions which dissolve upon contact with the water. A ''critical'' concentration of sulfide ions at the crack tip can then induce environmentally-assisted cracking which proceeds at significantly increased crack growth rates over those observed in air. The occurrence, or non-occurrence, of EAC is governed by the mass-transport of sulfide ions to and from the crack-tip region, and the mass-transport is discussed in terms of diffusion, ion migration, and convection induced within the crack enclave. Examples are given of convective mass-transport within the crack enclave resulting from external free stream flow. The initiation of fatigue cracks in elevated temperature aqueous environments, as measured by the S-N fatigue lifetimes, is also strongly influenced by the parameters identified above. The influence of sulfide inclusions does not appear to be as strong on the crack initiation process as it is on crack propagation. The oxygen content of the environment appears to be the dominant factor, although loading frequency (strain rate) and temperature are also important factors

Models for the Immediate Environment of Ions in Aqueous Solutions of Neodymium Chloride

Science.gov (United States)

Smirnov, P. R.; Grechin, O. V.

2018-01-01

Radial distribution functions of neodymium chloride aqueous solutions in a wide range of concentrations under ambient conditions are calculated from experimental data obtained earlier via X-ray diffraction analysis. Different models of the structural organization of the system are developed. The optimum versions are determined by calculating theoretical functions for each model and comparing their fit to the experimental functions. Such quantitative characteristics of the immediate environment of Nd3+ and Cl- ions as coordination numbers, interparticle distances, and varieties of ion pairs are determined. It is shown that the average number of water molecules in the first coordination sphere of the cation falls from 9 to 6.2 as the concentration rises. The structure of the systems over the whole range of concentrations is determined by ion associates of the noncontact type.

Chemical nature of catalysts of oxide nanoparticles in environment ...

Indian Academy of Sciences (India)

12

Chemical nature of catalysts of oxide nanoparticles in environment prevailing during growth of carbon nanostructures by CCVD. M. Jana*, A. Sil and S. Ray. †. Department of Metallurgical and Materials Engineering. Indian Institute of Technology Roorkee. Roorkee 247 667, India. Present address: *School of Materials ...

Long-term aging of Ag/a-C:H:O nanocomposite coatings in air and in aqueous environment

Science.gov (United States)

Drábik, Martin; Pešička, Josef; Biederman, Hynek; Hegemann, Dirk

2015-04-01

Nanocomposite coatings of silver particles embedded in a plasma polymer matrix possess interesting properties depending on their microstructure. The film microstructure is affected among others also by the RF power supplied during the deposition, as shown by transmission electron microscopy. The optical properties are characterized by UV-vis-NIR spectroscopy. An anomalous optical absorption peak from the Ag nanoparticles is observed and related to the microstructure of the nanocomposite films. Furthermore, a long-term aging of the coatings is studied in-depth in ambient air and in aqueous environments. It is shown that the studied films are not entirely stable. The deposition conditions and the microstructure of the films affect the processes taking place during their aging in both environments.

Organic Redox Species in Aqueous Flow Batteries: Redox Potentials, Chemical Stability and Solubility

Science.gov (United States)

Wedege, Kristina; Dražević, Emil; Konya, Denes; Bentien, Anders

2016-01-01

Organic molecules are currently investigated as redox species for aqueous low-cost redox flow batteries (RFBs). The envisioned features of using organic redox species are low cost and increased flexibility with respect to tailoring redox potential and solubility from molecular engineering of side groups on the organic redox-active species. In this paper 33, mainly quinone-based, compounds are studied experimentially in terms of pH dependent redox potential, solubility and stability, combined with single cell battery RFB tests on selected redox pairs. Data shows that both the solubility and redox potential are determined by the position of the side groups and only to a small extent by the number of side groups. Additionally, the chemical stability and possible degradation mechanisms leading to capacity loss over time are discussed. The main challenge for the development of all-organic RFBs is to identify a redox pair for the positive side with sufficiently high stability and redox potential that enables battery cell potentials above 1 V. PMID:27966605

Organic Redox Species in Aqueous Flow Batteries: Redox Potentials, Chemical Stability and Solubility

Science.gov (United States)

Wedege, Kristina; Dražević, Emil; Konya, Denes; Bentien, Anders

2016-12-01

Organic molecules are currently investigated as redox species for aqueous low-cost redox flow batteries (RFBs). The envisioned features of using organic redox species are low cost and increased flexibility with respect to tailoring redox potential and solubility from molecular engineering of side groups on the organic redox-active species. In this paper 33, mainly quinone-based, compounds are studied experimentially in terms of pH dependent redox potential, solubility and stability, combined with single cell battery RFB tests on selected redox pairs. Data shows that both the solubility and redox potential are determined by the position of the side groups and only to a small extent by the number of side groups. Additionally, the chemical stability and possible degradation mechanisms leading to capacity loss over time are discussed. The main challenge for the development of all-organic RFBs is to identify a redox pair for the positive side with sufficiently high stability and redox potential that enables battery cell potentials above 1 V.

Nanoscale carbon materials from hydrocarbons pyrolysis: Structure, chemical behavior, utilisation for non-aqueous supercapacitors

International Nuclear Information System (INIS)

Savilov, Serguei V.; Strokova, Natalia E.; Ivanov, Anton S.; Arkhipova, Ekaterina A.; Desyatov, Andrey V.; Hui, Xia; Aldoshin, Serguei M.; Lunin, Valery V.

2015-01-01

Highlights: • N-doped and regular carbon nanomaterials were obtained by pyrolitic technique. • Dynamic vapor sorption of different solvents reveals smaller S BET values. • Steric hindrance and specific chemical interactions are the reasons for this. • Nitrogen doping leads to raise of capacitance and coulombic efficiency with non-aqueous N-containing electrolyte. - Abstract: This work systematically studies adsorption properties of carbon nanomaterials that are synthesized through hydrocarbons that is a powerful technique to fabricate different kinds of carbon materials, e.g., nanotubes, nanoshells, onions, including nitrogen substituted. The adsorption properties of the as-synthesized carbons are achieved by low temperature nitrogen adsorption and organic vapors sorption. Heptane, acetonitrile, water, ethanol, benzene and 1-methylimidazole, which are of great importance for development of supercapacitors, are used as substrates. It is discovered that while nitrogen adsorption reveals a high specific surface area, this parameter for most of organic compounds is rather small depending not only on the size of its molecule but also on chemical interactions for a pair adsorbent–adsorbate. The experimental values of heat of adsorption for carbon and N-substituted structures, when Coulomb cross-coupling of nitrogen atoms in adsorbent and adsorbate takes place, confirms this supposition

Nanoscale carbon materials from hydrocarbons pyrolysis: Structure, chemical behavior, utilisation for non-aqueous supercapacitors

Energy Technology Data Exchange (ETDEWEB)

Savilov, Serguei V., E-mail: savilov@chem.msu.ru [Lomonosov Moscow State University, Chemistry Department (Russian Federation); Strokova, Natalia E.; Ivanov, Anton S.; Arkhipova, Ekaterina A. [Lomonosov Moscow State University, Chemistry Department (Russian Federation); Desyatov, Andrey V. [D. Mendeleyev University of Chemical Technology of Russia (Russian Federation); Hui, Xia [Herbert Gleiter Institute of Nanoscience, School of Materials Science and Engineering, Nanjing University of Science and Technology (China); Aldoshin, Serguei M. [Lomonosov Moscow State University, Faculty of Fundamental Physical and Chemical Engineering (Russian Federation); Lunin, Valery V. [Lomonosov Moscow State University, Chemistry Department (Russian Federation)

2015-09-15

Highlights: • N-doped and regular carbon nanomaterials were obtained by pyrolitic technique. • Dynamic vapor sorption of different solvents reveals smaller S{sub BET} values. • Steric hindrance and specific chemical interactions are the reasons for this. • Nitrogen doping leads to raise of capacitance and coulombic efficiency with non-aqueous N-containing electrolyte. - Abstract: This work systematically studies adsorption properties of carbon nanomaterials that are synthesized through hydrocarbons that is a powerful technique to fabricate different kinds of carbon materials, e.g., nanotubes, nanoshells, onions, including nitrogen substituted. The adsorption properties of the as-synthesized carbons are achieved by low temperature nitrogen adsorption and organic vapors sorption. Heptane, acetonitrile, water, ethanol, benzene and 1-methylimidazole, which are of great importance for development of supercapacitors, are used as substrates. It is discovered that while nitrogen adsorption reveals a high specific surface area, this parameter for most of organic compounds is rather small depending not only on the size of its molecule but also on chemical interactions for a pair adsorbent–adsorbate. The experimental values of heat of adsorption for carbon and N-substituted structures, when Coulomb cross-coupling of nitrogen atoms in adsorbent and adsorbate takes place, confirms this supposition.

Functionalization of {gamma}-alumina cores by polyvinylpirrolidone: properties of the resulting biocompatible nanoparticles in aqueous suspension

Energy Technology Data Exchange (ETDEWEB)

Fernandez, L. [Universidad Nacional del Comahue, Dpto de Quimica, Facultad de Ingenieria (Argentina); Arranz, G.; Palacio, L. [Universidad de Valladolid, Dpto. Fisica Aplicada, Facultad de Ciencias (Spain); Soria, C.; Sanchez, M.; Perez, G. [Universidad Nacional del Comahue, Dpto de Quimica, Facultad de Ingenieria (Argentina); Lozano, A. E. [UA-CSIC-UVA, Surface and Porous Materials (SMAP) (Spain); Hernandez, A.; Pradanos, P., E-mail: pradanos@termo.uva.e [Universidad de Valladolid, Dpto. Fisica Aplicada, Facultad de Ciencias (Spain)

2009-02-15

A biocompatible polymer has been used to functionalize 45-50 nm diameter {gamma}-alumina nanoparticles. Because the target was to use these systems in real applications, polyvinylpirrolidone (PVP) was chosen due to the characteristics of non-toxicity, biocompatibility, and feasibility of this polymer to form complexes with many cations and chemical species. This approach allows the use of these materials in medicine and food, textile, or pharmaceutical industry. The functionalization process required a previous attachment of an active group on the surface of the nanoparticles. Subsequently, a polymer chain was generated in situ, using vinyltrimethoxysilane (VTMS) and 1-vinyl-2-pyrrolidone (VP) as reactives. The morphology and topology of the nanocompound has been characterized in aqueous suspensions, attending to possible applications in this medium. The results obtained from the different techniques show that the polymer chain was successfully grafted to the nanoparticle surface, and allow an estimation of the size of the modified particle. Their electrical and conformational behavior have also been studied in different aqueous chemical environments.

Functionalization of γ-alumina cores by polyvinylpirrolidone: properties of the resulting biocompatible nanoparticles in aqueous suspension

International Nuclear Information System (INIS)

Fernandez, L.; Arranz, G.; Palacio, L.; Soria, C.; Sanchez, M.; Perez, G.; Lozano, A. E.; Hernandez, A.; Pradanos, P.

2009-01-01

A biocompatible polymer has been used to functionalize 45-50 nm diameter γ-alumina nanoparticles. Because the target was to use these systems in real applications, polyvinylpirrolidone (PVP) was chosen due to the characteristics of non-toxicity, biocompatibility, and feasibility of this polymer to form complexes with many cations and chemical species. This approach allows the use of these materials in medicine and food, textile, or pharmaceutical industry. The functionalization process required a previous attachment of an active group on the surface of the nanoparticles. Subsequently, a polymer chain was generated in situ, using vinyltrimethoxysilane (VTMS) and 1-vinyl-2-pyrrolidone (VP) as reactives. The morphology and topology of the nanocompound has been characterized in aqueous suspensions, attending to possible applications in this medium. The results obtained from the different techniques show that the polymer chain was successfully grafted to the nanoparticle surface, and allow an estimation of the size of the modified particle. Their electrical and conformational behavior have also been studied in different aqueous chemical environments.

Passivation of mechanically polished, chemically etched and anodized zirconium in various aqueous solutions: Impedance measurements

International Nuclear Information System (INIS)

Abo-Elenien, G.M.; Abdel-Salam, O.E.

1987-01-01

Zirconium and its alloys are finding increasing applications especially in water-cooled nuclear reactors. Because of the fact that zirconium is electronegative (E 0 = -1.529V) its corrosion resistance in aqueous solutions is largely determined by the existence of a thin oxide film on its surface. The structure and properties of this film depend in the first place on the method of surface pre-treatment. This paper presents an experimental study of the nature of the oxide film on mechanically polished, chemically etched and anodized zirconium. Ac impedance measurements carried out in various acidic, neutral and alkaline solutions show that the film thickness depends on the method of surface pre-treatment and the type of electrolyte solution. The variation of the potential and impedance during anodization of zirconium at low current density indicates that the initial stages of polarization consist of oxide build-up at a rate dependent on the nature of the electrode surface and the electrolyte. Oxygen evolution commences at a stage where oxide thickening starts to decline. The effect of frequency on the measured impedance indicates that the surface reactivity, and hence the corrosion rate, decreases in the following order: mechanically polished > chemically etched > anodized

Seawater-sediment interaction at elevated temperatures and pressures: implications for the near field chemical environment

International Nuclear Information System (INIS)

Seyfried, W.E. Jr.; Thornton, E.C.; Janecky, D.R.

1981-01-01

Results of four experiments are reported which document chemical exchange and mineralogic modification during seawater-sediment interaction at 200 0 to 300 0 C, 500 bars. Sediments used for this study are from MPG-1 (central North Pacific). Experimental conditions (T, P, W/R) were chosen to be reasonably analogous to conditions which will characterize the near field environment; that is a zone within approximately 1 m of the buried waste canister. In general, the major element chemistry of seawater was similarly modified in all experiments. The aqueous concentrations of Ca, Mg, Sr, and SO 4 decreased and SiO 2 /sub (aq)/, Na, K, and ΣCO 2 increased relative to values in seawater prior to reaction with sediments. pH decreased and remained distinctly acid. Con comitantly significant concentrations of heavy metals entered seawater from the sediments during reaction. Dissolution of Mn-rich phases profoundly affected alteration processes. For example, reaction of MnO 2 components of the smectite-rich sediment (Pacific smectite) with seawater created an unusually oxidizing milieu (fO 2 = 10 -7 74 ), and resulted in dissolution of significant quantities of Au from the reaction cell. Although illite-quartz-Fe-chlorite (sediment B)-seawater interaction also created a relatively oxidizing environment, this environment was not capable of oxidizing Au. Thus, in this regard (oxidation potential) sediment mineralogy exerts a strong influence. Mineralogic modification of sediment B at 200 0 and 300 0 C was minor and characterized by partial dissolution of illite and exchange of Fe for Mg in chlorite. In contrast the smectite-rich sediment, which, prior to reaction with seawater contained a poorly crystalline smectite phase, clinoptilolite, and amorphous material, recrystallized totally to a well defined smectite mineral. Anhydrite was abundantly present amongst the alteration products of all experiments

As (V) biosorption in an aqueous solution using chemically treated lemon (Citrus aurantifolia Swingle) residues.

Science.gov (United States)

Marín-Rangel, Vania Marilyn; Cortés-Martínez, Raúl; Villanueva, Ruth Alfaro Cuevas; Garnica-Romo, Ma Guadalupe; Martínez-Flores, Héctor Eduardo

2012-01-01

The use of biosorbents to remove metals and metalloids from contaminated water systems has gained great usage in various parts of the world. The objective of the current study was to test lemon peels as biosorbents for As (V). Lemon peels were chemically characterized and arsenic contact experiments were performed to determine the adsorption capacity of the peels using different empirical models. The model that fit the experimental data was the Lagergren empirical model with a correlation coefficient of R= 0.8841. The results show that lemon peels were able to retain 474.8 μg of As (V)/g of biosorbent. Lemon agro-industrial waste can be useful in the removal of heavy metals, such as arsenic, from aqueous media. © 2011 Institute of Food Technologists®

Gamma-radiolysis of aqueous solutions of methyl orange and chrysoidine

International Nuclear Information System (INIS)

Khabarov, V.N.; Kozlov, L.L.; Panchenkov, G.M.

1980-01-01

Radiation-chemical bleaching of azo dyes of methyl orange and chrysoidine in aqueous and aqueous-alcoholic solutions under the effect of γ-radiation of 60 Co is studied. The effect of different additions and pH value of medium upon radiolysis of azo dyes is investigated. Radiation-chemical yields of the bleaching are determined. Quantitative connection between the initial yields of water radiolysis products and radiation yields of the bleaching of azo dyes is established. On the basis of the results obtained the most probable mechanism of methyl orange and chrysoidine bleaching is suggested

Reliability Evaluation and Improvement Approach of Chemical Production Man - Machine - Environment System

Science.gov (United States)

Miao, Yongchun; Kang, Rongxue; Chen, Xuefeng

2017-12-01

In recent years, with the gradual extension of reliability research, the study of production system reliability has become the hot topic in various industries. Man-machine-environment system is a complex system composed of human factors, machinery equipment and environment. The reliability of individual factor must be analyzed in order to gradually transit to the research of three-factor reliability. Meanwhile, the dynamic relationship among man-machine-environment should be considered to establish an effective blurry evaluation mechanism to truly and effectively analyze the reliability of such systems. In this paper, based on the system engineering, fuzzy theory, reliability theory, human error, environmental impact and machinery equipment failure theory, the reliabilities of human factor, machinery equipment and environment of some chemical production system were studied by the method of fuzzy evaluation. At last, the reliability of man-machine-environment system was calculated to obtain the weighted result, which indicated that the reliability value of this chemical production system was 86.29. Through the given evaluation domain it can be seen that the reliability of man-machine-environment integrated system is in a good status, and the effective measures for further improvement were proposed according to the fuzzy calculation results.

Chemical energy powered nano/micro/macromotors and the environment.

Science.gov (United States)

Moo, James Guo Sheng; Pumera, Martin

2015-01-02

The rise of miniaturized artificial self-powered devices, demonstrating autonomous motion, has brought in new considerations from the environmental perspective. This review addresses the interplay between these nano/micro/macromotors and the environment, recent advances, and their applications in pollution management. Such self-propelled devices are able to actuate chemical energy into mechanical motion in situ, adding another powerful dimension towards solving environmental problems. Use of synthetic nano/micro/macromotors has demonstrated potential in environmental remediation, both in pollutant removal and contaminant degradation, owing to motion-induced mixing. At the same time, the chemical environment exerts influence on the locomotion of the motors. These sensitized self-powered devices demonstrate capabilities for being deployed as sensors and their chemotactic behaviors show efficacy to act as first responders towards a chemical leakage. Thus, the notion of a self-propelling entity also entails further investigation into its inherent toxicity and possible implications as a pollutant. Future challenges and outlook of the use of these miniaturized devices are discussed, with specific regard to the fields of environmental remediation and monitoring, as we move towards their wider acceptance. We believe that these tiny machines will stand up to the task as solutions for environmental sustainability in the 21st century. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Aqueous corrosion of borosilicate glasses. Nature and properties of alteration layers

International Nuclear Information System (INIS)

Trotignon, Laurent

1990-01-01

This research thesis addresses physical and chemical processes which occur during aqueous corrosion of silicates, and the study of the properties of their interfaces with solutions, and thus issues related to the fate of high activity nuclear wastes which are embedded in a vitreous matrix as the potential release of radionuclides towards the environment then depends on the glass parcel behaviour submitted to chemical attacks which could alter it, notably by aqueous corrosion. The objective is then to model the dissolution of nuclear glass over long periods of time, and to predict the behaviour of radionuclides. The author compared the corrosion and alteration layers of gradually more complex borosilicate glasses, from a ternary sodium borosilicate glass to a simulated nuclear glass (the French reference glass R7T7). Complexity is increased by adding oxides. After some theoretical recalls on the structure and corrosion of borosilicate glasses, the author presents the studied materials, the corrosion experiments, and analytical techniques used to study alteration layers. The mechanism of formation of altered layers is studied based on corrosion experiments performed at 90 C on the whole set of glasses. Alteration layers formed on corroded glasses are studied and compared by using various techniques: electronic microscopy, high energy ion beams, spectroscopy, infrared, photo-electron spectroscopy. Implications for underground storage of nuclear glasses are discussed

Modelling aqueous corrosion of nuclear waste phosphate glass

Energy Technology Data Exchange (ETDEWEB)

Poluektov, Pavel P.; Schmidt, Olga V.; Kascheev, Vladimir A. [Bochvar All-Russian Scientific Research Institute for Inorganic Materials (VNIINM), Moscow (Russian Federation); Ojovan, Michael I., E-mail: m.ojovan@sheffield.ac.uk [Immobilisation Science Laboratory, Department of Materials Science and Engineering, University of Sheffield, Mappin Street, Sheffield, S1 3JD (United Kingdom)

2017-02-15

A model is presented on nuclear sodium alumina phosphate (NAP) glass aqueous corrosion accounting for dissolution of radioactive glass and formation of corrosion products surface layer on the glass contacting ground water of a disposal environment. Modelling is used to process available experimental data demonstrating the generic inhibiting role of corrosion products on the NAP glass surface. - Highlights: • The radionuclides yield is determined by the transport from the glass through the surface corrosion layer. • Formation of the surface layer is due to the dissolution of the glass network and the formation of insoluble compounds. • The model proposed accounts for glass dissolution, formation of corrosion layer, specie diffusion and chemical reactions. • Analytical solutions are found for corrosion layer growth rate and glass components component leaching rates.

Evolution of organic matter in Orgueil, Murchison and Renazzo during parent body aqueous alteration: In situ investigations

Science.gov (United States)

Le Guillou, Corentin; Bernard, Sylvain; Brearley, Adrian J.; Remusat, Laurent

2014-04-01

Chondrites accreted the oldest solid materials in the solar system including dust processed in the protoplanetary disk and diverse organic compounds. After accretion, asteroidal alteration may have impacted organic particles in various ways. To constrain these processes, we conducted a comprehensive study of organics disseminated within the matrices of the three carbonaceous chondrite falls, Renazzo (CR2), Murchison (CM2) and Orgueil (CI). By combining synchrotron-based STXM and TEM analyses on FIB sections of samples previously characterized by NanoSIMS, we investigated the influence of aqueous alteration on the morphology, isotopic signature, molecular structure, spatial distribution, and mineralogical environment of the organic matter within the matrices. Two different populations of materials are distinguishable: sub-micrometric individual grains, likely dominated by insoluble compounds and diffuse organic matter, finely interspersed within phyllosilicates and/or (amorphous) nanocarbonates at the nanometer scale. We suggest that this latter component, which is depleted in aromatics and enriched in carboxylic functional groups, may be dominated by soluble compounds. Organic matter in Renazzo (CR) mainly consists of chemically-homogeneous individual grains surrounded by amorphous and nanocrystalline phyllosilicates. Evidence of connectivity between organic grains and fractures indicates that redistribution has occurred: some areas containing diffuse organic matter can be observed. This diffuse organic component is more abundant in Murchison (CM) and Orgueil (CI). This is interpreted as resulting from fluid transport at the micrometer scale and encapsulation within recrystallized alteration phases. In contrast to Renazzo, organic grains in Murchison and Orgueil display strong chemical heterogeneities, likely related to chemical evolution during aqueous alteration. The observations suggest that the altering fluid was a brine with elevated concentrations of both

Complex chemistry of Np(V) in aqueous solutions

International Nuclear Information System (INIS)

Inoue, Yasushi

1989-01-01

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

Tunable aqueous virtual micropore.

Science.gov (United States)

Park, Jae Hyun; Guan, Weihua; Reed, Mark A; Krstić, Predrag S

2012-03-26

A charged microparticle can be trapped in an aqueous environment by forming a narrow virtual pore--a cylindrical space region in which the particle motion in the radial direction is limited by forces emerging from dynamical interactions of the particle charge and dipole moment with an external radiofrequency quadrupole electric field. If the particle satisfies the trap stability criteria, its mean motion is reduced exponentially with time due to the viscosity of the aqueous environment; thereafter the long-time motion of particle is subject only to random, Brownian fluctuations, whose magnitude, influenced by the electrophoretic and dielectrophoretic effects and added to the particle size, determines the radius of the virtual pore, which is demonstrated by comparison of computer simulations and experiment. The measured size of the virtual nanopore could be utilized to estimate the charge of a trapped micro-object. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Comparing rankings of selected TRI organic chemicals for two environments using a level III fugacity model and toxicity

International Nuclear Information System (INIS)

Edwards, F.G.; Egemen, E.; Nirmalakhandan, N.

1998-01-01

The Toxics Release Inventory, TRI (USEPA, 1995) is a comprehensive listing of chemicals, mass released, source of releases, and other related information for chemicals which are released into the environment in the US. These chemicals are then ranked according to the mass released as a indication of their environmental impact. Industries have been encouraged to adopt production methods to decrease the release of chemicals which are ranked highly in the TRI. Clearly, this ranking of the chemicals based upon the mass released fails to take into account very important environmental aspects. The first and most obvious aspect is the wide range of toxicity's of the chemicals released. Numerous researchers have proposed systems to rank chemicals according to their toxicity. The second aspect, which a mass released based ranking does not take into account, is the fate and transport of each chemical within the environment. Cohen and Ryan (1985) and Mackay and Paterson (1991) have proposed models to evaluate the fate and transport of chemicals released into the environment. Some authors have incorporated the mass released and toxicity with some fate and transport aspects to rank the impact of released chemicals. But, due to the complexities of modeling the environment, the lack of published data on properties of chemicals, and the lack of information on the speciation of chemicals in complex systems, modeling the fate and transport of toxic chemicals in the environment remains difficult. To provide an indication of the need to rank chemicals according to their environmental impact instead of the mass released, the authors have utilized a subset of 45 organic chemicals from the TRI, modeled the fate and transport of the chemicals using a Level III fugacity model, and compared those equilibrium concentrations with toxicity data to yield a hazard value for each chemical

Phytotoxic Activity and Chemical Composition of Aqueous Volatile Fractions from Eucalyptus Species

Science.gov (United States)

Zhang, Jinbiao; An, Min; Wu, Hanwen; Liu, De Li; Stanton, Rex

2014-01-01

The essential oils from four Eucalyptus species (E. spathulata, E. salubris, E. brockwayii and E. dundasii) have been previously confirmed to have stronger inhibitory effects on germination and seedling growth of silverleaf nightshade (Solanum elaeagnifolium Cav.). The aqueous volatile fractions (AVFs) were the water soluble volatile fractions produced together with the essential oils (water insoluble fractions) during the steam distillation process. The aim of this study was to further assess the phytotoxicity of AVFs from the four Eucalyptus species and their chemical composition. The fresh leaves of the four Eucalyptus species were used for the extraction of AVFs. The AVFs were tested for their phytotoxic effects on the perennial weed, silverleaf nightshade under laboratory conditions. The chemical compositions of the AVFs were determined by gas chromatograph–mass spectrometry (GC-MS). Our results showed that the AVFs had strong inhibition on the germination and seedling growth of silverleaf nightshade. The inhibition index increased with the increasing concentrations of AVFs. The inhibitory effects of the AVFs varied between different Eucalyptus species. The AVF from E. salubris demonstrated the highest inhibitory activity on the weed tested, with complete inhibition on germination and seedling growth at a concentration of 75%. The GC-MS analysis revealed that 1,8-cineole, isopentyl isovalerate, isomenthol, pinocarvone, trans-pinocarveol, alpha-terpineol and globulol were the main compounds in the AVFs. These results indicated that all AVFs tested had differential inhibition on the germination and seedling growth of silverleaf nightshade, which could be due to the joint effects of compounds present in the AVFs as these compounds were present in different quantities and ratio between Eucalyptus species. PMID:24681490

Phytotoxic activity and chemical composition of aqueous volatile fractions from Eucalyptus species.

Directory of Open Access Journals (Sweden)

Jinbiao Zhang

Full Text Available The essential oils from four Eucalyptus species (E. spathulata, E. salubris, E. brockwayii and E. dundasii have been previously confirmed to have stronger inhibitory effects on germination and seedling growth of silverleaf nightshade (Solanum elaeagnifolium Cav.. The aqueous volatile fractions (AVFs were the water soluble volatile fractions produced together with the essential oils (water insoluble fractions during the steam distillation process. The aim of this study was to further assess the phytotoxicity of AVFs from the four Eucalyptus species and their chemical composition. The fresh leaves of the four Eucalyptus species were used for the extraction of AVFs. The AVFs were tested for their phytotoxic effects on the perennial weed, silverleaf nightshade under laboratory conditions. The chemical compositions of the AVFs were determined by gas chromatograph-mass spectrometry (GC-MS. Our results showed that the AVFs had strong inhibition on the germination and seedling growth of silverleaf nightshade. The inhibition index increased with the increasing concentrations of AVFs. The inhibitory effects of the AVFs varied between different Eucalyptus species. The AVF from E. salubris demonstrated the highest inhibitory activity on the weed tested, with complete inhibition on germination and seedling growth at a concentration of 75%. The GC-MS analysis revealed that 1,8-cineole, isopentyl isovalerate, isomenthol, pinocarvone, trans-pinocarveol, alpha-terpineol and globulol were the main compounds in the AVFs. These results indicated that all AVFs tested had differential inhibition on the germination and seedling growth of silverleaf nightshade, which could be due to the joint effects of compounds present in the AVFs as these compounds were present in different quantities and ratio between Eucalyptus species.

Effect of adsorbents and chemical treatments on the removal of strontium from aqueous solutions

International Nuclear Information System (INIS)

Ahmadpour, A.; Zabihi, M.; Tahmasbi, M.; Bastami, T. Rohani

2010-01-01

In the present investigation, three different solid wastes namely almond green hull, eggplant hull, and moss were initially treated and used as adsorbents for the adsorption of strontium ion from aqueous solutions. Adsorbent types and chemical treatments are proved to have effective roles on the adsorption of Sr(II) ion. Among the three adsorbents, almond green hull demonstrated strong affinity toward strontium ion in different solutions. The effectiveness of this new adsorbent was studied in batch adsorption mode under a variety of experimental conditions such as: different chemical treatments, various amounts of adsorbent, and initial metal-ion concentration. The optimum doses of adsorbent for the maximum Sr(II) adsorption were found to be 0.2 and 0.3 g for 45 and 102 mg L -1 solutions, respectively. High Sr(II) adsorption efficiencies were achieved only in the first 3 min of adsorbent's contact time. The kinetics of Sr(II) adsorption on almond green hull was also examined and it was observed that it follows the pseudo second-order behavior. Both Langmuir and Freundlich models well predicted the experimental adsorption isotherm data. The maximum adsorption capacity on almond green hull was found to be 116.3 mg g -1 . The present study also confirmed that these low cost agriculture byproducts could be used as efficient adsorbents for the removal of strontium from wastewater streams.

Dissolution of barite for the analysis of strontium isotopes and other chemical and isotopic variations using aqueous sodium carbonate

Science.gov (United States)

Breit, G.N.; Simmons, E.C.; Goldhaber, M.B.

1985-01-01

A simple procedure for preparing barite samples for chemical and isotopic analysis is described. Sulfate ion, in barite, in the presence of high concentrations of aqueous sodium carbonate, is replaced by carbonate. This replacement forms insoluble carbonates with the cations commonly in barite: Ba, Sr, Ca and Pb. Sulfate is released into the solution by the carbonate replacement and is separated by filtration. The aqueous sulfate can then be reprecipitated for analysis of the sulfur and oxygen isotopes. The cations in the carbonate phase can be dissolved by acidifying the solid residue. Sr can be separated from the solution for Sr isotope analysis by ion-exchange chromatography. The sodium carbonate used contains amounts of Sr which will affect almost all barite 87Sr 86Sr ratios by less than 0.00001 at 1.95?? of the mean. The procedure is preferred over other techniques used for preparing barite samples for the determination of 87Sr 86Sr ratios because it is simple, rapid and enables simultaneous determination of many compositional parameters on the same material. ?? 1985.

γ-radiolysis of aqueous and aqueous-ethanol solutions of cobalt(3) cyanide complexes

International Nuclear Information System (INIS)

Kutsaev, V.G.; Potapov, I.A.; Rozenkevich, M.B.; Sakharovskij, Yu.A.; Bulgakova, G.P.; Zagorets, P.A.

1984-01-01

The method of stationary γ-radiolysis has been used to investigate Na 3 [Co 3 (CN) 6 ] and K 2 [Co 3 (CN) 5 H 2 O] reduction in aqueous solutions in the presence of NaCN, KCN, KCl and C 2 H 5 OH additions. [Co 2 (CN) 5 ] 3- ion is shown to be the product of reduction. Radiation-chemical yield increases in the presence of alkali metal cyanides and large quantities (10-20 vol.%) of C 2 H 5 OH. Energy consumption for radiation-chemical reduction of Co 3 cyanide complexes is 50 times lower than for photochemical one

Degradation of zinc oxide thin films in aqueous environment. Pt. II. Coated films

Energy Technology Data Exchange (ETDEWEB)

Rosa, L. de; Mitton, D.B.; Monetta, T.; Bellucci, F. [Naples Univ. (Italy). Dept. of Materials and Production Engineering; Springer, J. [Zentrum fuer Sonnenenergie- und Wasserstoff-Forschung Baden-Wuerttemberg (ZSW), Stuttgart (Germany)

2001-12-01

cn Part I of this research, the degradation mechanism of two different bare ZnO thin films was assessed. Degradation of the electrical properties of ZnO as well as changes in morphology were observed for both films. In the current paper, the degradation of zinc oxide thin films coated with protective acrylic paint is addressed during exposure to (i) an aqueous 3.5% NaCl solution at 85 C and (ii) a standard damp heat test at 85% R.H. and 85 C. Electrical and electrochemical techniques were employed to monitor zinc oxide degradation during exposure to the test environments. Electrochemical Impedance Spectroscopy was employed to investigate the delamination phenomena at the ZnO/coating interface and a simple equivalent circuit was developed to quantitatively measure the delamination ratio. The effect of different silane based adhesion promoters (glycidil-oxypropyl-trimethoxy-silane and aminopropyl-trimethoxy-silane) was also investigated. (orig.)

Magnetic beads-based DNAzyme recognition and AuNPs-based enzymatic catalysis amplification for visual detection of trace uranyl ion in aqueous environment.

Science.gov (United States)

Zhang, Hongyan; Lin, Ling; Zeng, Xiaoxue; Ruan, Yajuan; Wu, Yongning; Lin, Minggui; He, Ye; Fu, FengFu

2016-04-15

We herein developed a novel biosensor for the visual detection of trace uranyl ion (UO2(2+)) in aqueous environment with high sensitivity and specificity by using DNAzyme-functionalized magnetic beads (MBs) for UO2(2+) recognition and gold nano-particles (AuNPs)-based enzymatic catalysis oxidation of TMB (3,3',5,5'-tetramethylbenzidine sulfate) for signal generation. The utilization of MBs facilitates the magnetic separation and collection of sensing system from complex sample solution, which leads to more convenient experimental operation and more strong resistibility of the biosensor to the matrix of sample, and the utilization of AuNPs-based enzymatic catalysis amplification greatly improved the sensitivity of the biosensor. Compared with the previous DNAzyme-based UO2(2+) sensors, the proposed biosensor has outstanding advantages such as relative high sensitivity and specificity, operation convenience, low cost and more strong resistibility to the matrix of sample. It can be used to detect as low as 0.02 ppb (74 pM) of UO2(2+) in aqueous environment by only naked-eye observation and 1.89 ppt (7.0 pM) of UO2(2+) by UV-visible spectrophotometer with a recovery of 93-99% and a RSD ≤ 5.0% (n=6) within 3h. Especially, the visual detection limit of 0.02 ppb (74 pM) is much lower than the maximum allowable level of UO2(2+) (130 nM) in the drinking water defined by the U.S. Environmental Protection Agency (EPA), indicating that our method meets the requirement of rapid and on-site detection of UO2(2+) in the aqueous environment by only naked-eye observation. Copyright © 2015 Elsevier B.V. All rights reserved.

Self-aggregation of liquids from biomass in aqueous solution

International Nuclear Information System (INIS)

Lomba, Laura; Giner, Beatriz; Zuriaga, Estefanía; Moya, Juana; Lafuente, Carlos

2013-01-01

Highlights: • Aggregation behaviour of liquids from biomass in aqueous solution has been studied. • Standard Gibbs free energies of aggregation have been calculated. • Solubility in water of these compounds has been determined. • Critical aggregation concentration decreases as the solubility in water does. -- Abstract: Aggregation of several chemicals from biomass: furfural derived compounds (furfural, 5-methylfurfural, furfuryl alcohol and tetrahydrofurfuryl alcohol), lactate derived compounds (methyl lactate, ethyl lactate and butyl lactate), acrylate derived compound (methyl acrylate) and levulinate compounds (methyl levulinate, ethyl levulinate and butyl levulinate) in aqueous solution has been characterised at T = 298.15 K through density, ρ, speed of sound, u, and isentropic compressibilities, κ S , measurements. In addition the standard Gibbs free energies of aggregation have been also calculated. Furthermore, in order to deepen insight the behaviour of these chemicals in aqueous solution, the solubility of these compounds has been measured at T = 298.15 K

Introduction of a cation in aqueous solution by electrolytic dissolution of metal. Applications to the decontamination of radioactive effluents

International Nuclear Information System (INIS)

Gauchon, Jean-Paul

1979-01-01

This research thesis aims at comparing results obtained in chemical decontamination of radioactive effluents with a metallic cation introduced by metal electro-dissolution or by dose addition. After an overview of methods used for the purification of radioactive effluents and a more precise presentation of chemical co-precipitation, the author reports preliminary tests of the application of chemical co-precipitation to the decontamination of radioactive effluents, reports the analysis of iron, zinc and copper behaviour in aqueous environment by means of thermodynamic diagrams and current-voltage curves. He reports the design and use of two electro-dissolution sets, and the application of copper electrolytic dissolution to the elimination of ruthenium in radioactive effluents. He finally addresses the purification treatment of effluents of nuclear reactors

Characterization of local hydrophobicity on sapphire (0001) surfaces in aqueous environment by colloidal probe atomic force microscopy

Energy Technology Data Exchange (ETDEWEB)

Wada, Tomoya; Yamazaki, Kenji; Isono, Toshinari; Ogino, Toshio, E-mail: ogino-toshio-rx@ynu.ac.jp

2017-02-28

Highlights: • Local hydrophobicity of phase-separated sapphire (0001) surfaces was investigated. • These surfaces are featured by coexistence of hydrophilic and hydrophobic domains. • Each domain was characterized by colloidal probe atomic force microscopy in water. • Both domains can be distinguished by adhesive forces of the probe to the surfaces. • Characterization in aqueous environment is important in bio-applications of sapphire. - Abstract: Sapphire (0001) surfaces exhibit a phase-separation into hydrophobic and hydrophilic domains upon high-temperature annealing, which were previously distinguished by the thickness of adsorbed water layers in air using atomic force microscopy (AFM). To characterize their local surface hydrophobicity in aqueous environment, we used AFM equipped with a colloidal probe and measured the local adhesive force between each sapphire domain and a hydrophilic SiO{sub 2} probe surface, or a hydrophobic polystyrene one. Two data acquisition modes for statistical analyses were used: one is force measurements at different positions of the surface and the other repeated measurement at a fixed position. We found that adhesive force measurements using the polystyrene probe allow us to distinctly separate the hydrophilic and hydrophobic domains. The dispersion in the force measurement data at different positions of the surface is larger than that in the repeated measurements at a fixed position. It indicates that the adhesive force measurement is repeatable although their data dispersion for the measurement positions is relatively large. From these results, we can conclude that the hydrophilic and hydrophobic domains on the sapphire (0001) surfaces are distinguished by a difference in their hydration degrees.

Studies on the Use of Oyster, Snail and Periwinkle Shells as Adsorbents for the Removalof Pb2+ Aqueous Solution

Directory of Open Access Journals (Sweden)

Stevens A. Odoemelam

2009-01-01

Full Text Available In view of increasing rate of lead pollution resulting from discharge of lead containing effluents by industries into the environment, this study was carried out to investigate the removal of Pb2+ from aqueous solutions by oyster, snail and periwinkle shells. The effects of contact time and concentration on adsorption, thermodynamics of sorption and distribution coefficients of the adsorbents were examined to optimize the conditions to be utilized for decontamination of effluents containing Pb2+. The study revealed that these materials are good adsorbents that can be used for the removal of Pb2+ from aqueous solution. Adsorption of Pb2+ by oyster, snail and periwinkle shells were found to conform to the classical models of Langmuir, Freundlich and Temkin adsorption isotherms. Thermodynamic consideration revealed that adsorption of Pb2+ by these materials was spontaneous and proceeded via chemical adsorption. The use of these materials for the removal of lead ion from aqueous solution is therefore advocated

The phase transport and reactions of γ-irradiated aqueous-ionic liquids

International Nuclear Information System (INIS)

Howett, S.; Joseph, J.; Noel, J.J.; Wren, J.C.

2010-01-01

A novel technology based on the transfer of chemical species across water/ionic liquid interfaces via specific complexation reactions is currently being considered for the separation and sequestration of metal ion contaminants from radioactive waste effluents in the nuclear fuel cycle. An ideal solvent for these applications should have a high intrinsic selectivity for a targeted metal or group of metals (e.g., trans-Pu actinides, lanthanides, or other fission products), an efficient switching mechanism (between complexation and decomplexation), and a high immiscibility with aqueous solutions. These characteristics must be maintained in the chemical, radiation, and mass transport environments present during the separation process. Ionic liquids (ILs) have an almost negligible vapour pressure and high thermal stability. Their ability to dissolve a wide range of substrate molecules and potential to be highly resilient in radiation fields make ILs particularly promising media. The separation efficiency of the biphasic system will depend on many parameters, including the aqueous oxidation state of the targeted metal ion, and the thermodynamics and kinetics of interfacial transport and metal-ligand complex formation at the water/IL interface or in the IL phase. The most uncertain and unstudied area for these applications is the effect of ionizing radiation on the stability and separation efficiency of the biphasic system. The present study investigates the effect of γ-radiation on gas/IL and water/IL interfacial stability and mass transfer with trihexyltetradecylphosphonium bis(trifluoromethyl-sulfonyl)imide, a phosphonium-based IL. The IL, in contact with either gas or water, was irradiated at a dose rate of 6.4 kGy·h -1 . Gas-phase samples were analyzed by gas chromatography-mass spectrometry (GC-MS) and the changes in the IL and aqueous phases were monitored by conductivity measurements and Raman spectroscopy. In this paper we discuss these observations and their

Chemical degradation of fluoroelastomer in an alkaline environment

DEFF Research Database (Denmark)

Mitra, S.; Ghanbari-Siahkali, A.; Kingshott, P.

2004-01-01

We have investigated the time-dependent chemical degradation of a fluoroelastomer, FKM (Viton((R)) A), in an alkaline environment (10% NaOH, 80 degreesC). Optical microscopy and SEM analysis reveal that degradation starts with surface roughness right from the earliest stage of exposure (e.g., 1...... week) and finally results in cracks on the surface after prolonged exposure. Initially the extent of degradation is mainly confined to the surface regions (a few nanometers) but with longer exposure (e.g., 12 weeks) it extends to below the subsurface region of the fluoroelastomer. The extent...... of this surface degradation is found to be strong enough to affect the bulk mechanical properties. The molecular mechanisms of the surface chemical degradation were determined using surface analysis (XPS and ATR-FTIR) where the initial degradation was found to proceed via dehydrofluorination. This leads to double...

Cheese whey valorisation: Production of valuable gaseous and liquid chemicals from lactose by aqueous phase reforming

International Nuclear Information System (INIS)

Remón, J.; Ruiz, J.; Oliva, M.; García, L.; Arauzo, J.

2016-01-01

Highlights: • Aqueous phase reforming: a promising strategy for cheese whey valorisation. • In-depth understanding of the effect of the operating conditions on the process. • Process optimisation for the selective production of valuable gas and liquid products. • High P, T, lactose concentration and spatial time favour gas production. • High T, low spatial time and the use of diluted solutions maximise liquids production. - Abstract: Cheese effluent management has become an important issue owing to its high biochemical oxygen demand and chemical oxygen demand values. Given this scenario, this work addresses the valorisation of lactose (the largest organic constituent of this waste) by aqueous phase reforming, analysing the influence of the most important operating variables (temperature, pressure, lactose concentration and mass of catalyst/lactose mass flow rate ratio) as well as optimising the process for the production of either gaseous or liquid value-added chemicals. The carbon converted into gas, liquid and solid products varied as follows: 5–41%, 33–97% and 0–59%, respectively. The gas phase was made up of a mixture of H_2 (8–58 vol.%), CO_2 (33–85 vol.%), CO (0–15 vol.%) and CH_4 (0–14 vol.%). The liquid phase consisted of a mixture of aldehydes: 0–11%, carboxylic acids: 0–22%, monohydric alcohols: 0–23%, polyhydric-alcohols: 0–48%, C3-ketones: 4–100%, C4-ketones: 0–18%, cyclic-ketones: 0–15% and furans: 0–85%. H_2 production is favoured at high pressure, elevated temperature, employing a high amount of catalyst and a concentrated lactose solution. Liquid production is preferential using diluted lactose solutions. At high pressure, the production of C3-ketones is preferential using a high temperature and a low amount of catalyst, while a medium temperature and a high amount of catalyst favours the production of furans. The production of alcohols is preferential using medium temperature and pressure and a low amount of

Hydrophobic fluorine mediated switching of the hydrogen bonding site as well as orientation of water molecules in the aqueous mixture of monofluoroethanol: IR, molecular dynamics and quantum chemical studies.

Science.gov (United States)

Mondal, Saptarsi; Biswas, Biswajit; Nandy, Tonima; Singh, Prashant Chandra

2017-09-20

The local structures between water-water, alcohol-water and alcohol-alcohol have been investigated for aqueous mixtures of ethanol (ETH) and monofluoroethanol (MFE) by the deconvolution of IR bands in the OH stretching region, molecular dynamics simulation and quantum chemical calculations. It has been found that the addition of a small amount of ETH into the aqueous medium increases the strength of the hydrogen bonds between water molecules. In an aqueous mixture of MFE, the substitution of a single fluorine induces a change in the orientation as well as the hydrogen bonding site of water molecules from the oxygen to the fluorine terminal of MFE. The switching of the hydrogen bonding site of water in the aqueous mixture of MFE results in comparatively strong hydrogen bonds between MFE and water molecules as well as less clustering of water molecules, unlike the case of the aqueous mixture of ETH. These findings about the modification of a hydrogen bond network by the hydrophobic fluorine group probably make fluorinated molecules useful for pharmaceutical as well as biological applications.

Journal of NIRE, Vol. 5, No. 1, January 1996. Special issue: Behavior in the environment and countermeasure technology of hazardous chemicals

Energy Technology Data Exchange (ETDEWEB)

NONE

1996-01-01

Contents: Technique for Management of Hazardous Chemical Substances --Risk Assessment; Behaviors of Chemicals in the Aquatic Environment; Numerical Model of Chemical Fate in an Environment; Source Characterization and Chemical Processes of Volatile Organic Compounds in the Atmosphere; Development of Sensor for Hazardous Substances; Removal of Chemical Substances from the Atmosphere by Photocatalysis; Microbial Degradation of Organic Xenobiotics in Environment.

Matriptase autoactivation is tightly regulated by the cellular chemical environments.

Directory of Open Access Journals (Sweden)

Jehng-Kang Wang

Full Text Available The ability of cells to rapidly detect and react to alterations in their chemical environment, such as pH, ionic strength and redox potential, is essential for cell function and survival. We present here evidence that cells can respond to such environmental alterations by rapid induction of matriptase autoactivation. Specifically, we show that matriptase autoactivation can occur spontaneously at physiological pH, and is significantly enhanced by acidic pH, both in a cell-free system and in living cells. The acid-accelerated autoactivation can be attenuated by chloride, a property that may be part of a safety mechanism to prevent unregulated matriptase autoactivation. Additionally, the thio-redox balance of the environment also modulates matriptase autoactivation. Using the cell-free system, we show that matriptase autoactivation is suppressed by cytosolic reductive factors, with this cytosolic suppression being reverted by the addition of oxidizing agents. In living cells, we observed rapid induction of matriptase autoactivation upon exposure to toxic metal ions known to induce oxidative stress, including CoCl2 and CdCl2. The metal-induced matriptase autoactivation is suppressed by N-acetylcysteine, supporting the putative role of altered cellular redox state in metal induced matriptase autoactivation. Furthermore, matriptase knockdown rendered cells more susceptible to CdCl2-induced cell death compared to control cells. This observation implies that the metal-induced matriptase autoactivation confers cells with the ability to survive exposure to toxic metals and/or oxidative stress. Our results suggest that matriptase can act as a cellular sensor of the chemical environment of the cell that allows the cell to respond to and protect itself from changes in the chemical milieu.

Assessment of deposits and the aqueous medium of thread holes of primary collector flanges

International Nuclear Information System (INIS)

Splichal, K.; Burda, J.; Rybka, R.; Zamboch, M.

1996-10-01

The parameters of the local environment of primary header thread holes were determined based on analysis of the aqueous medium and determination of the composition and structure of the deposits. The data were evaluated with respect to the aggressive impurity contents and proportions and solubilities of the components. Corrosion damage of the thread holes will be governed by the amounts of aggressive impurities such as sulfates and chlorides and by the presence of inactive compounds such as aluminosilicates and silicates. Although not participating directly, such substances can affect the corrosion processes through their physico-chemical properties, e.g., by adsorbing aggressive reagents. (author)

Chemical dosimetry at less than 1000 rad: aqueous trimesic acid solutions

International Nuclear Information System (INIS)

Matthews, R.W.; Wilson, J.G.

1981-01-01

Aqueous solutions of trimesic acid were investigated for possible use as a chemical dosimeter. In aerated 10 -2 M sulphuric acid solution containing 10 -3 M trimesic acid, a highly fluorescent product is formed with its maximum fluorescence at 450nm when excited by 350nm light. The product has fluorescence characteristics very similar to quinine in 0.05 M sulphuric acid. The fluorescence intensity is linear with dose in the range 1-1000 rad and a precision of +-2% was obtained from a number of runs. Solutions are stable for at least several days before and after irradiation. The yield is little affected by moderate changes in trimesic acid concentration, oxygen concentration, water purity, energy of radiation and irradiation temperature. The small dependence of the yield on dose rate and the effect of measurement temperature on the fluorescence signal have been quantified. The most significant factor affecting the fluorescence signal is the hydrogen ion concentration of the solution. In aerated neutral and alkaline (pH 10) solutions, hydroxytrimesic acid (HTMA) is formed with G(HTMA) equal to 2.07 +- 0.04 and 2.21 +- 0.04, for 10 -3 M trimesate. In these solutions, G(HTMA) increases appreciably with increase in the trimesate concentration. The main fluorescent product formed in irradiated acid solutions was not identified but it was not HTMA. (author)

Cr(VI) adsorption on functionalized amorphous and mesoporous silica from aqueous and non-aqueous media

International Nuclear Information System (INIS)

Perez-Quintanilla, Damian; Hierro, Isabel del; Fajardo, Mariano; Sierra, Isabel

2007-01-01

A mesoporous silica (SBA-15) and amorphous silica (SG) have been chemically modified with 2-mercaptopyridine using the homogeneous route. This synthetic route involved the reaction of 2-mercaptopyridine with 3-chloropropyltriethoxysilane prior to immobilization on the support. The resulting material has been characterized by powder X-ray diffraction, nitrogen gas sorption, FT-IR and MAS NMR spectroscopy, thermogravimetry and elemental analysis. The solid was employed as a Cr(VI) adsorbent from aqueous and non-aqueous solutions at room temperature. The effect of several variables (stirring time, pH, metal concentration and solvent polarity) has been studied using the batch technique. The results indicate that under the optimum conditions, the maximum adsorption value for Cr(VI) was 1.83 ± 0.03 mmol/g for MP-SBA-15, whereas the adsorption capacity of the MP-SG was 0.86 ± 0.02 mmol/g. On the basis of these results, it can be concluded that it is possible to modify chemically SBA-15 and SG with 2-mercaptopyridine and to use the resulting modified silicas as effective adsorbents for Cr(VI)

Environment on the Surfaces of the Drip Shield and Waste Package Outer Barrier

Energy Technology Data Exchange (ETDEWEB)

T. Wolery

2005-02-22

This report provides supporting analysis of the conditions at which an aqueous solution can exist on the drip shield or waste package surfaces, including theoretical underpinning for the evolution of concentrated brines that could form by deliquescence or evaporation, and evaluation of the effects of acid-gas generation on brine composition. This analysis does not directly feed the total system performance assessment for the license application (TSPA-LA), but supports modeling and abstraction of the in-drift chemical environment (BSC 2004 [DIRS 169863]; BSC 2004 [DIRS 169860]). It also provides analyses that may support screening of features, events, and processes, and input for response to regulatory inquiries. This report emphasizes conditions of low relative humidity (RH) that, depending on temperature and chemical conditions, may be dry or may be associated with an aqueous phase containing concentrated electrolytes. Concentrated solutions at low RH may evolve by evaporative concentration of water that seeps into emplacement drifts, or by deliquescence of dust on the waste package or drip shield surfaces. The minimum RH for occurrence of aqueous conditions is calculated for various chemical systems based on current understanding of site geochemistry and equilibrium thermodynamics. The analysis makes use of known characteristics of Yucca Mountain waters and dust from existing tunnels, laboratory data, and relevant information from the technical literature and handbooks.

Environment on the Surfaces of the Drip Shield and Waste Package Outer Barrier

International Nuclear Information System (INIS)

T. Wolery

2005-01-01

This report provides supporting analysis of the conditions at which an aqueous solution can exist on the drip shield or waste package surfaces, including theoretical underpinning for the evolution of concentrated brines that could form by deliquescence or evaporation, and evaluation of the effects of acid-gas generation on brine composition. This analysis does not directly feed the total system performance assessment for the license application (TSPA-LA), but supports modeling and abstraction of the in-drift chemical environment (BSC 2004 [DIRS 169863]; BSC 2004 [DIRS 169860]). It also provides analyses that may support screening of features, events, and processes, and input for response to regulatory inquiries. This report emphasizes conditions of low relative humidity (RH) that, depending on temperature and chemical conditions, may be dry or may be associated with an aqueous phase containing concentrated electrolytes. Concentrated solutions at low RH may evolve by evaporative concentration of water that seeps into emplacement drifts, or by deliquescence of dust on the waste package or drip shield surfaces. The minimum RH for occurrence of aqueous conditions is calculated for various chemical systems based on current understanding of site geochemistry and equilibrium thermodynamics. The analysis makes use of known characteristics of Yucca Mountain waters and dust from existing tunnels, laboratory data, and relevant information from the technical literature and handbooks

Chemical denitration of aqueous nitrate solutions

International Nuclear Information System (INIS)

Burrill, K.A.

1987-11-01

The Plant for Active Waste Liquids (PAWL) at CRNL will immobilize in glass the fission products in waste from Mo-99 production. The nitrate ions in the waste can be destroyed by heating, but also by chemical reaction with formic acid (HCOOH). Since chemical denitration has several advantages over thermal denitration it was studied in the course of vitrification process development. Two free radical mechanisms are examined here to explain kinetic data on chemical denitration of nitric acid solutions with formic acid. One mechanism is applicable at > 1 mol/L HNO 3 and involves the formate radical (HCOO . ). The second mechanism holds at 3 and involves the hyponitrous radical (HNO . ). Mass balances for various species were written based on the law of mass action applied to the equations describing the reaction mechanism. Analytical and numerical solutions were obtained and compared. Literature data on batch denitration were used to determine some of the rate constants while others were set arbitrarily. Observed stoichiometry and trends in reactant concentrations are predicted accurately for batch data. There are no literature data to compare with the prediction of negligible induction time

Quantitative determination of acidic hydrolysis products of Chemical Weapons Convention related chemicals from aqueous and soil samples using ion-pair solid-phase extraction and in situ butylation.

Science.gov (United States)

Pal Anagoni, Suresh; Kauser, Asma; Maity, Gopal; Upadhyayula, Vijayasarathi V R

2018-02-01

Chemical warfare agents such as organophosphorus nerve agents, mustard agents, and psychotomimetic agent like 3-quinuclidinylbenzilate degrade in the environment and form acidic degradation products, the analysis of which is difficult under normal analytical conditions. In the present work, a simultaneous extraction and derivatization method in which the analytes are butylated followed by gas chromatography and mass spectrometric identification of the analytes from aqueous and soil samples was carried out. The extraction was carried out using ion-pair solid-phase extraction with tetrabutylammonium hydroxide followed by gas chromatography with mass spectrometry in the electron ionization mode. Various parameters such as optimum concentration of the ion-pair reagent, pH of the sample, extraction solvent, and type of ion-pair reagent were optimized. The method was validated for various parameters such as linearity, accuracy, precision, and limit of detection and quantification. The method was observed to be linear from 1 to 1000 ng/mL range in selected ion monitoring mode. The extraction recoveries were in the range of 85-110% from the matrixes with the limit of quantification for alkyl phosphonic acids at 1 ng/mL, thiodiglycolic acid at 20 ng/mL, and benzilic acid at 50 ng/mL with intra- and interday precisions below 15%. The developed method was applied for the samples prepared in the scenario of challenging inspection. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Ecotoxicological assessments and the setting of limit values for chemicals in the environment

Energy Technology Data Exchange (ETDEWEB)

NONE

1996-11-01

The Committee on the Setting of Limit Values for Chemicals held its first open conference in Denmark in March 1992 at Mogenstrup Kro, Zealand. The conference proceedings were entitled `Risk Management and Risk Assessment in Different Sectors in Denmark`. The conference focused on risk assessment and the setting of limit values for chemicals in connection with human exposure to chemicals. The conference held in January 1996, which is covered by the present proceedings, dealt with the exposure of the environment to chemicals and the state-of-the-art as well as perspectives of ecotoxicological research. Special emphasis was placed on the illustration and discussion of the problems that have to be solved in order to secure satisfactory levels of protection of soil and aquatic environments in connection with exposure to chemicals. Also, problems connected with exposure through the atmosphere were discussed and exemplified by the work on the setting of limit values for tropospheric ozone. Furthermore, the global problems pertaining to what is believed to be the greenhouse effect and the degradation of the stratospheric ozone layer as well as the damage to crops caused by ozone were mentioned. (au)

Effect of Electric Field on the Wetting Behavior of Eutectic Gallium-Indium Alloys in Aqueous Environment

Science.gov (United States)

Yuan, Bo; He, Zhi-Zhu; Liu, Jing

2018-02-01

Room-temperature liquid metals have many intriguing properties that have not previously been fully understood. Among them, surface tension behaviors of such metals are especially critical in a group of newly emerging areas such as printed electronics, functional materials and soft machines, etc. This study is dedicated to clarifying the wettability of liquid metals on various substrate surfaces with varied roughness immersed in solutions when subject to an electric field. The contact angles of Ga75.5In24.5 in several typical liquids were comprehensively measured and interpreted, and were revealed to be affected by the components and concentration of the environmental solution. Meanwhile, the roughness of the substrates is also revealed to be an important parameter dominating the process. The dynamic wetting behaviors of liquid metal in aqueous environment under an electric field were quantified. The contact angle values of eutectic gallium-indium alloys (eGaIn) on titanium substrates with different roughness would lead to better electrowetting performances on rougher surfaces. In particular, using an electrical field to control the wetting status of liquid metal with the matching substrate have been illustrated, which would offer a practical way to flexibly control liquid metal-based functional devices working in an aqueous environment. Furthermore, Lippmann-Young's equation reveals the relationship between contact angle and applied voltage, explaining the excellent electrowetting property of eGaIn. The power law, R = αt β , was adopted to characterize the two-stage wetting process of eGaIn under different voltages. In the initial process, β ≈ 1/2 represents the complete wetting law, while the later one, β ≈ 1/10, meets with Tanner's law of a drop spontaneously spreading on a smooth surface.

The study of furfural removal from aqueous solutions using activated carbon and bentonite modified with cetyltrimethylammonium bromide (CTAB), a cationic surfactant

OpenAIRE

M Leili; Gh Asgari; A. A Eskandari; L Borzoei; B Ramavandi

2016-01-01

Background and Objectives: Furfural is one of the toxic chemical compounds used in many industries such as petrochemical, food, paper products, pharmaceutical, etc., due to having some characteristics. Therefore, furfural could be found at different concentrations in the effluent from these industries and can enter the environment. Hence, the aim of this study was the assessment the efficiency of a low cost bentonite modified with cationic surfactant in the removal of furfural from aqueous so...

The effect of the indoor environment on the fate of organic chemicals in the urban landscape.

Science.gov (United States)

Cousins, Anna Palm

2012-11-01

To assess the effect of the indoor environment on the urban fate of organic chemicals, an 8-compartment indoor-inclusive steady state multimedia chemical fate model was developed. The model includes typical urban compartments (air, soil, water, sediment, and urban film) and a novel module representing a generic indoor environment. The model was parameterized to the municipality of Stockholm, Sweden and applied to four organic chemicals with different physical-chemical characteristics and use patterns: formaldehyde, 2,4,6-tribromophenol, di-ethylhexylphthalate and decabromodiphenyl ether. The results show that emissions to indoor air may increase the steady state mass and residence time in the urban environment by a factor of 1.1 to 22 for the four chemicals, compared to if emissions are assigned to outdoor air. This is due to the nested nature of the indoor environment, which creates a physical barrier that prevents chemicals from leaving the urban system with outflowing air. For DEHP and BDE 209, the additional partitioning to indoor surfaces results in a greater importance of the indoor removal pathways from surfaces. The outdoor environmental concentrations of these chemicals are predicted to be lower if emitted to indoor air than if emitted to outdoor air because of the additional indoor removal pathways of dust and indoor film, leading to loss of chemical from the system. For formaldehyde and 2,4,6-TBP outdoor environmental concentrations are not affected by whether the release occurs indoors or outdoors because of the limited partitioning to indoor surfaces. A sensitivity analysis revealed that there appears to be a relationship between logK(OA) and the impact of the ventilation rate on the urban fate of organic chemicals. Copyright © 2012 Elsevier B.V. All rights reserved.

The effect of the indoor environment on the fate of organic chemicals in the urban landscape

International Nuclear Information System (INIS)

Cousins, Anna Palm

2012-01-01

To assess the effect of the indoor environment on the urban fate of organic chemicals, an 8-compartment indoor-inclusive steady state multimedia chemical fate model was developed. The model includes typical urban compartments (air, soil, water, sediment, and urban film) and a novel module representing a generic indoor environment. The model was parameterized to the municipality of Stockholm, Sweden and applied to four organic chemicals with different physical–chemical characteristics and use patterns: formaldehyde, 2,4,6-tribromophenol, di-ethylhexylphthalate and decabromodiphenyl ether. The results show that emissions to indoor air may increase the steady state mass and residence time in the urban environment by a factor of 1.1 to 22 for the four chemicals, compared to if emissions are assigned to outdoor air. This is due to the nested nature of the indoor environment, which creates a physical barrier that prevents chemicals from leaving the urban system with outflowing air. For DEHP and BDE 209, the additional partitioning to indoor surfaces results in a greater importance of the indoor removal pathways from surfaces. The outdoor environmental concentrations of these chemicals are predicted to be lower if emitted to indoor air than if emitted to outdoor air because of the additional indoor removal pathways of dust and indoor film, leading to loss of chemical from the system. For formaldehyde and 2,4,6-TBP outdoor environmental concentrations are not affected by whether the release occurs indoors or outdoors because of the limited partitioning to indoor surfaces. A sensitivity analysis revealed that there appears to be a relationship between logK OA and the impact of the ventilation rate on the urban fate of organic chemicals. -- Highlights: ► A novel indoor-inclusive multimedia urban fate model is developed and applied. ► Emissions indoors may increase the urban chemical residence time. ► Indoor removal from surfaces constitutes an additional loss process

Chemical form of transuranic elements in underground environment and its effect on adsorption

International Nuclear Information System (INIS)

Tanaka, Tomo

1990-01-01

Many of the transuranic elements such as Np, Pu and Am contained in high-level radioactive wastes are highly dangerous to humans and have extremely long lives. Therefore, safety evaluation of them is highly important after their disposal into the ground. Particularly important processes include the migration of these transuranic elements in near and far fields. The migration of a nuclide depends largely on its chemical form in the underground environment. The present report first describes various chemical forms of transuranic elements in underground environments and outlines their migration behaviors. Techniques that have recently become available for determining their chemical forms include photo-acoustic spectroscopy, thermal lensing spectroscopy, laser induced fluorescence, photo-acoustic detection of light scattering, auto-correlation photon spectroscopy, and laser-induced time-resolved spectrofluorometry. Chemical forms of these elements are then discussed focusing on underground environmental conditions, pH-Eh diagram, deposition/dissolution, formation of complex, formation of colloid, and organic complexes. Migration is discussed in relation to ions, insoluble matters, and colloids. (N.K.)

Chemical Disequilibria and Sources of Gibbs Free Energy Inside Enceladus

Science.gov (United States)

Zolotov, M. Y.

2010-12-01

Non-photosynthetic organisms use chemical disequilibria in the environment to gain metabolic energy from enzyme catalyzed oxidation-reduction (redox) reactions. The presence of carbon dioxide, ammonia, formaldehyde, methanol, methane and other hydrocarbons in the eruptive plume of Enceladus [1] implies diverse redox disequilibria in the interior. In the history of the moon, redox disequilibria could have been activated through melting of a volatile-rich ice and following water-rock-organic interactions. Previous and/or present aqueous processes are consistent with the detection of NaCl and Na2CO3/NaHCO3-bearing grains emitted from Enceladus [2]. A low K/Na ratio in the grains [2] and a low upper limit for N2 in the plume [3] indicate low temperature (possibly enzymes if organisms were (are) present. The redox conditions in aqueous systems and amounts of available Gibbs free energy should have been affected by the production, consumption and escape of hydrogen. Aqueous oxidation of minerals (Fe-Ni metal, Fe-Ni phosphides, etc.) accreted on Enceladus should have led to H2 production, which is consistent with H2 detection in the plume [1]. Numerical evaluations based on concentrations of plume gases [1] reveal sufficient energy sources available to support metabolically diverse life at a wide range of activities (a) of dissolved H2 (log aH2 from 0 to -10). Formaldehyde, carbon dioxide [c.f. 4], HCN (if it is present), methanol, acetylene and other hydrocarbons have the potential to react with H2 to form methane. Aqueous hydrogenations of acetylene, HCN and formaldehyde to produce methanol are energetically favorable as well. Both favorable hydrogenation and hydration of HCN lead to formation of ammonia. Condensed organic species could also participate in redox reactions. Methane and ammonia are the final products of these putative redox transformations. Sulfates may have not formed in cold and/or short-term aqueous environments with a limited H2 escape. In contrast to

Formation of CdS thin films in a chemical bath environment under the action of an external magnetic field

International Nuclear Information System (INIS)

Vaskes-Luna, Kh.G.; Zekhe, A.; Nhukhil'o-Garsiya, M.P.; Starostenko, O.

2000-01-01

The effect of external magnetic field on obtaining thin CdS films on glass sub layers through the method of chemical deposition from the cadmium chloride aqueous solution is studied. The intensity and direction of the magnetic field during deposition obviously affect the number of physical properties of polycrystalline films: thickness, grain size and optical quality. The films characteristics are studied through an atomic-power microscope, light absorption spectroscopy and conductometry in darkness. The results obtained are interpreted on the basis of notions on the cadmium and sulfur specific interaction in the chemical bath with a magnetic field [ru

A study on the steam generator data base and the evaluation of chemical environment

International Nuclear Information System (INIS)

Yang, Kyung Rin; Yoo, Je Hyoo; Lee, Eun He; Hong, Kwang Pum

1990-01-01

In order to make steam generator data base, the basic plant information and water quality control data on the steam generators of the PWR nuclear power plant operating in the world have been collected by EPRI. In this project, the basic information and water quality control data of the domestic PWR nuclear power plants were collected to make steam generator data base on the basic of the EPRI format table, and the computerization of them was performed. Also, the technical evaluation of chemical environments on steam generator of the Kori 2 plant chemists. Workers and researchers working at the research institute and universities and so on. Especially, it is able to be used as a basic plant information in order to develop an artificial intellegence development system in the field on the technical development of the chemical environment. The scope and content of the project are following. The data base on the basic information data in domestic PWR plant. The steam generator data base on water quality control data. The evaluation on the chemical environment in the steam generators of the Kori 2 plant. From previous data, it is concluded as follows. The basic plant information on the domestic PWR power plant were computerized. The steam generator data base were made on the basis of EPRI format table. The chemical environment of the internal steam generators could be estimated from the analytical evaluation of water quality control data of the steam generator blowdown. (author)

Effective Remediation of Lead Ions from Aqueous Solution by Chemically Carbonized Rubber Wood Sawdust: Equilibrium, Kinetics, and Thermodynamic Study

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Swarup Biswas

2015-01-01

Full Text Available Rubber wood sawdust was carbonized into charcoal by chemical treatment which was used for removal of lead ion from aqueous solution. The work involves batch experiments to investigate the pH effect, initial concentration of adsorbate, contact time, and adsorbent dose. Experimental data confirmed that the adsorption capacities increased with increasing inlet concentration and bed height and decreased with increasing flow rate. Adsorption results showed a maximum adsorption capacity of 37 mg/g at 308 K. Langmuir, Freundlich, and Temkin model adsorption isotherm models were applied to analyze the process where Temkin was found as a best fitted model for present study. Simultaneously kinetics of adsorption like pseudo-first-order, pseudo-second-order, and intraparticle diffusion models were investigated. Thermodynamic parameters were used to analyze the adsorption experiment. Fourier transform infrared spectroscopy, scanning electron microscope, and energy dispersive X-ray spectroscopy confirmed the batch adsorption of lead ion onto chemically carbonized rubber wood sawdust.

Corrosion behavior of a superduplex stainless steel in chloride aqueous solution

Science.gov (United States)

Dabalà, Manuele; Calliari, Irene; Variola, Alessandra

2004-04-01

Super duplex stainless steels (SDSS) have been widely used as structural materials for chemical plants (especially in those engaged in phosphoric acid production), in the hydrometallurgy industries, and as materials for offshore applications due to their excellent corrosion resistance in chloride environments, compared with other commercial types of ferritic stainless steels. These alloys also possess superior weldability and better mechanical properties than austenitic stainless steels. However, due to their two-phase structure, the nature of which is very dependent on their composition and thermal history, the behavior of SDSS regarding localized corrosion appears difficult to predict, especially in chloride environments. To improve their final properties, the effect of the partition of the alloying elements between the two phases, and the composition and microstructure of each phase are the key to understanding the localized corrosion phenomena of SDSS. This paper concerns the effects of the SDSS microstructure and heat treatment on the SDSS corrosion resistance in aqueous solutions, containing different amounts of NaCl at room temperature.

Effect of molecular weight on radiation chemical degradation yield of chain scission of γ-irradiated chitosan in solid state and in aqueous solution

International Nuclear Information System (INIS)

Tahtat, Djamel; Mahlous, Mohamed; Benamer, Samah; Nacer Khodja, Assia; Larbi Youcef, Souad

2012-01-01

Chitosan A 1 , A 2 and A 3 with molecular weight of 471, 207 and 100 kDa respectively, produced from squid pen chitin was degraded by gamma rays in the solid state and in aqueous solution with various doses in air at ambient temperature. Effect of molecular weight on radiation chemical degradation yield of chain scission and degradation rate constants of γ-irradiated chitosan in solid state and in aqueous solution was investigated. The radiation chemical degradation yield G (s) and degradation rate values were calculated. The molecular weight changes were monitored by capillary viscometry method and the chemical structure changes were followed by UV analysis. The results showed that, the degradation of chitosan was faster in solution, than in solid state. The values of G (s) in solid state and in aqueous solution were respectively 1.1×10 −8 mol/J and 0.074×10 −7 mol/J for A 1 , 4.42×10 −8 mol/J and 0.28×10 −7 mol/J for A 2 and 6.08×10 −8 mol/J and 0.38×10 −7 mol/J for A 3 . Degradation rate constants values ranged from 0.41×10 −5 to 2.1×10 −5 kGy −1 in solid state, whereas in solution they ranged from 13×10 −5 to 68×10 −5 kGy −1 . The chitosan A 3 was more sensitive to radiolysis than A 1 and A 2 . The chain scission yield, G (s) and degradation rate constants seems to be greatly influenced by the initial molecular weight of the chitosan. Structural changes in irradiated chitosan are revealed by the apparition of absorption peaks at 261 and 295 nm, which could be attributed to the formation of carbonyl groups. In both conditions the peak intensity was higher in chitosan A 3 than in A 1 and A 2 , the oxidative products decreased with increasing molecular weight of chitosan. - Highlights: ► We investigated the effects of MW on G (s) value of γ-irradiated chitosan in solid and aqueous state. ► Chitosan with low molecular weight was more sensitive to radiolysis than high molecular weight. ► G (s) value and degradation rate

Enhanced stability and dissolution of CuO nanoparticles by extracellular polymeric substances in aqueous environment

International Nuclear Information System (INIS)

Miao, Lingzhan; Wang, Chao; Hou, Jun; Wang, Peifang; Ao, Yanhui; Li, Yi; Lv, Bowen; Yang, Yangyang; You, Guoxiang; Xu, Yi

2015-01-01

Stability of engineered nanoparticles in aquatic environment is an essential parameter to evaluate their fate, bioavailability, and potential toxic effects toward living organisms. As CuO NPs enter the wastewater systems, they will encounter extracellular polymeric substances (EPS) from microbial community before directly interacting with bacterial cells. EPS may play an important role in affecting the stability and the toxicity of CuO NPs in aquatic environment. In this study, the influences of flocculent sludge-derived EPS, as well as model protein (BSA) and natural polysaccharides (alginate) on the dissolution kinetics and colloidal stability of CuO NPs were investigated. Results showed that the presence of NOMs strongly suppressed CuO NPs aggregation, confirmed by DLS, zeta potentials, and TEM analysis. The enhanced stability of CuO NPs in the presence of EPS and alginate were attributed to the electrostatic combined with steric repulsion, while the steric-hindrance effect may be the predominant mechanism retarding nano-CuO aggregation for BSA. Higher degrees of copper release were achieved with the increasing concentrations of NOMs. EPS are more effective than alginate and BSA in releasing copper, probably due to the abundant functional groups and the excellent metal-binding capacity. The ratio of free-Cu 2+ /total dissolved Cu significantly decreased in the presence of EPS, indicating that EPS may affect the speciation and Cu bioavailability in aqueous environment. These results may be important for assessing the fate and transport behaviors of CuO NPs in the environment as well as for setting up usage regulation and treatment strategy.

Enhanced stability and dissolution of CuO nanoparticles by extracellular polymeric substances in aqueous environment

Energy Technology Data Exchange (ETDEWEB)

Miao, Lingzhan; Wang, Chao; Hou, Jun, E-mail: hhuhjyhj@126.com; Wang, Peifang; Ao, Yanhui; Li, Yi; Lv, Bowen; Yang, Yangyang; You, Guoxiang; Xu, Yi [Hohai University, Key Laboratory of Integrated Regulation and Resources Development on Shallow Lakes, Ministry of Education (China)

2015-10-15

Stability of engineered nanoparticles in aquatic environment is an essential parameter to evaluate their fate, bioavailability, and potential toxic effects toward living organisms. As CuO NPs enter the wastewater systems, they will encounter extracellular polymeric substances (EPS) from microbial community before directly interacting with bacterial cells. EPS may play an important role in affecting the stability and the toxicity of CuO NPs in aquatic environment. In this study, the influences of flocculent sludge-derived EPS, as well as model protein (BSA) and natural polysaccharides (alginate) on the dissolution kinetics and colloidal stability of CuO NPs were investigated. Results showed that the presence of NOMs strongly suppressed CuO NPs aggregation, confirmed by DLS, zeta potentials, and TEM analysis. The enhanced stability of CuO NPs in the presence of EPS and alginate were attributed to the electrostatic combined with steric repulsion, while the steric-hindrance effect may be the predominant mechanism retarding nano-CuO aggregation for BSA. Higher degrees of copper release were achieved with the increasing concentrations of NOMs. EPS are more effective than alginate and BSA in releasing copper, probably due to the abundant functional groups and the excellent metal-binding capacity. The ratio of free-Cu{sup 2+}/total dissolved Cu significantly decreased in the presence of EPS, indicating that EPS may affect the speciation and Cu bioavailability in aqueous environment. These results may be important for assessing the fate and transport behaviors of CuO NPs in the environment as well as for setting up usage regulation and treatment strategy.

Nanoscale Stress-Corrosion of Geomaterials in Aqueous Solutions

Science.gov (United States)

Criscenti, L. J.; Rimsza, J. M.; Matteo, E. N.; Jones, R. E.

2017-12-01

Predicting subcritical crack propagation in low-permeability geo-materials is an unsolved problem crucial to assessing shale caprocks at CO2 sequestration sites, and controlling fracturing for gas and oil extraction. Experiments indicate that chemical reactions at fluid-material interfaces play a major role in subcritical crack growth by weakening the material and altering crack nucleation and growth rates. However, understanding subsurface fracture has been hindered by a lack of understanding of the mechanisms relating chemical environment to mechanical outcome, and a lack of capability directly linking atomistic insight to macroscale observables. We are using both molecular simulation and experiment to develop an atomistic-level understanding of the chemical-mechanical coupling that controls subcritical crack propagation. We are investigating fracture of isotropic silica glass in different environments (air, distilled water, and Na+-rich solutions) and will extend our research to include clay minerals in shales. Molecular simulations are performed with ReaxFF, a reactive force field that allows for explicit modeling of bond breaking and formation processes during crack propagation. A coarse-graining method produces calculated fracture toughness values from the atomistic data. We are performing double cleavage drilled compression (DCDC) experiments in aqueous environmental chambers and monitoring crack propagation with either a confocal or atomic force microscope. Our results show that silica fracture toughness decreases as the environment changes from air to distilled water to Na+-rich solutions. These results suggest that our newly developed computational and experimental techniques can be used to investigate the impact of fluid composition on crack growth in geo-materials and that we will be able to use these methods to understand coupled chemo-mechanical processes and predict crack propagation in shale minerals. Sandia National Laboratories is a multimission

Optimization of liquid scintillation measurements applied to smears and aqueous samples collected in industrial environments

Directory of Open Access Journals (Sweden)

Arnaud Chapon

Full Text Available Search for low-energy β contaminations in industrial environments requires using Liquid Scintillation Counting. This indirect measurement method supposes a fine control from sampling to measurement itself. Thus, in this paper, we focus on the definition of a measurement method, as generic as possible, for both smears and aqueous samples’ characterization. That includes choice of consumables, sampling methods, optimization of counting parameters and definition of energy windows, using the maximization of a Figure of Merit. Detection limits are then calculated considering these optimized parameters. For this purpose, we used PerkinElmer Tri-Carb counters. Nevertheless, except those relative to some parameters specific to PerkinElmer, most of the results presented here can be extended to other counters. Keywords: Liquid Scintillation Counting (LSC, PerkinElmer, Tri-Carb, Smear, Swipe

Chemical treatment of radioactive liquid wastes from medical applications

International Nuclear Information System (INIS)

Castillo A, J.

1995-01-01

This work is a study about the treatment of the most important radioactive liquid wastes from medical usages, generated in medical institutions with nuclear medicine services. The radionuclides take in account are 32 P, 35 S, 125 I. The treatments developed and improved were specific chemical precipitations for each one of the radionuclides. This work involve to precipitate the radionuclide from the liquid waste, making a chemical compound insoluble in the aqueous phase, for this process the radionuclide stay in the precipitate, lifting the aqueous phase with a very low activity than the begin. The 32 P precipitated in form of Ca 3 32 P O 4 and Ca 2 H 32 P O 4 with a value for Decontamination Factor (DF) at the end of the treatment of 32. The 35 S was precipitated in form of Ba 35 SO 4 with a DF of 26. The 125 I was precipitated in Cu 125 I to obtain a DF of 24. The results of the treatments are between the limits given for the International Atomic Energy Agency and the 10 Code of Federal Regulation 20, for the safety release at the environment. (Author)

Uranium adsorption by non-treated and chemically modified cactus fibres in aqueous solutions

International Nuclear Information System (INIS)

Melpomeni Prodromou; Ioannis Pashalidis

2013-01-01

The adsorption efficiency of Opuntia ficus indica fibres regarding the removal of hexavalent uranium [U(VI)] from aqueous solutions has been investigated prior and after the chemical treatment (e.g. phosphorylation and MnO 2 -coating) of the biomass. The separation/removal efficiency has been studied as a function of pH, uranium concentration, adsorbent mass, ionic strength, temperature and contact time. Evaluation of the experimental data shows that biosorption is strongly pH-depended and that the MnO 2 -coated product presents the highest adsorption capacity followed by the phosphorylated and non-treated material. Experiments with varying ionic strength/salinity don't show any significant effect on the adsorption efficiency, indicating the formation of inner-sphere surface complexes. The adsorption reactions are in all cases exothermic and relatively fast, particularly regarding the adsorption on the MnO 2 -coated product. The results of the present study indicate that adsorption of uranium from waters is very effective by cactus fibres and particularly the modified treated fibres. The increased adsorption efficiency of the cactus fibres is attributed to their primary and secondary fibrillar structure, which result in a relative relative high specific surface available for sorption. (author)

Aqueous liquid redox desulfurisation

Energy Technology Data Exchange (ETDEWEB)

Reicher, M.; Niemiec, B.; Katona, T.

1999-12-01

The LO-CAT II process is an aqueous liquid redox process which uses ferric and ferrous iron catalysts to oxidise hydrogen sulfide (from sour gas) to elemental sulfur: the relevant chemical equations are given. Chelating agents keep the iron in solution. The system is described under the headings of (i) LO-CAT chemistry, (ii) design parameters, (iii) startup challenges, (iv) present situation and (v) anticipated future conditions. Further improvements to the system are anticipated.

MOVPE gallium-nitride nanostructures fabricated on ZnO nanorod templates grown from aqueous chemical solution

Energy Technology Data Exchange (ETDEWEB)

Fuendling, Soenke; Li Shunfeng; Postels, Bianca; Al-Suleiman, Mohamed; Wehmann, Hergo-Heinrich; Bakin, Andrey; Waag, Andreas, E-mail: s.fuendling@tu-bs.de [Institut fuer Halbleitertechnik, Technische Universitaet Braunschweig, 38096 Braunschweig (Germany)

2009-11-15

Concerning optoelectronic devices fabricated by epitaxial methods, the combination of ZnO and GaN has promising aspects regarding their good optical properties and a relatively good lattice matching between both as compared to other foreign substrates like sapphire or silicon. Moreover ZnO nanopillar arrays may serve as a template for GaN nanopillar fabrication or for high quality GaN layers by lateral overgrowth of the ZnO nanopillars. In this work, we investigate the combination of two very different growth methods - aqueous chemical low temperature growth (ACG) for the ZnO nanopillar templates on silicon substrates and metalorganic vapor phase epitaxy (MOVPE) for the GaN overgrowth - in order to show to which extent the very cost efficient ZnO templates suit the high demands of GaN MOVPE. By a combination of annealing and photoluminescence experiments we show that the properties of the heterostructures change significantly with temperature.

The Chemical Aquatic Fate and Effects database (CAFE), a tool that supports assessments of chemical spills in aquatic environments.

Science.gov (United States)

Bejarano, Adriana C; Farr, James K; Jenne, Polly; Chu, Valerie; Hielscher, Al

2016-06-01

The Chemical Aquatic Fate and Effects (CAFE) database is a centralized repository that allows for rapid and unrestricted access to data. Information in CAFE is integrated into a user-friendly tool with modules containing fate and effects data for 32 377 and 4498 chemicals, respectively. Toxicity data are summarized in the form of species sensitivity distributions (SSDs) with associated 1st and 5th percentile hazard concentrations (HCs). An assessment of data availability relative to reported chemical incidents showed that CAFE had fate and toxicity data for 32 and 20 chemicals, respectively, of 55 chemicals reported in the US National Response Center database (2000-2014), and fate and toxicity data for 86 and 103, respectively, of 205 chemicals reported by the National Oceanic and Atmospheric Administration (2003-2014). Modeled environmental concentrations of 2 hypothetical spills (acrylonitrile, 625 barrels; and denatured ethanol, 857 barrels) were used to demonstrate CAFE's practical application. Most species in the 24-h SSD could be potentially impacted by acrylonitrile and denatured ethanol during the first 35 min and 15 h post spill, respectively, with concentrations falling below their HC5s (17 mg/L and 2676 mg/L) at 45 min and 60 h post spill, respectively. Comparisons of CAFE-based versus published HC5 values for 100 chemicals showed that nearly half of values were within a 2-fold difference, with a relatively small number of comparisons exceeding a 10-fold difference. The development of CAFE facilitates access to relevant environmental information, with potential uses likely expanding beyond those related to assessment of spills in aquatic environments. Environ Toxicol Chem 2016;35:1576-1586. © 2015 SETAC. © 2015 SETAC.

Chemical environment effects on the Kβ emission spectra in P compounds

International Nuclear Information System (INIS)

Ceppi, S.; Tirao, G.; Stutz, G.; Riveros, J.A.

2008-01-01

Several clusters of PO 4 3- and P 2 O 7 4- were studied in different chemical environment by measuring the Kβ 1,3 , Kβ x and Kβ' lines from P-Kβ emission spectrum. The Kβ spectrum structures were analyzed from its relation with its chemical environment. In this paper, the cation influence and the cation substitution with H on satellite Kβ' line parameters were also studied. It was found that this line allows the light ligand atom to be identified and also the number of H bonds with the PO 4 3- cluster be characterized. Besides cation influence on the P-Kβ spectrum, it can be shown that this influence is smaller than the ligand atom and cation-H substitution. Theoretical spectra were obtained by using the DV-Xα method in order to compare it with the experimental data and to interpret the Kβ line structure in terms of molecular orbital theory

On mechanism of chlorophos radiation-chemical decomposition in aqueous solutions

International Nuclear Information System (INIS)

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

1992-01-01

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

Assembly of DNA Architectures in a Non-Aqueous Solution

Directory of Open Access Journals (Sweden)

Thomas J. Proctor

2012-08-01

Full Text Available In the present work, the procedures for the creation of self-assembled DNA nanostructures in aqueous and non-aqueous media are described. DNA-Surfactant complex formation renders the DNA soluble in organic solvents offering an exciting way to bridge the transition of DNA origami materials electronics applications. The DNA retains its structural features, and these unique geometries provide an interesting candidate for future electronics and nanofabrication applications with potential for new properties. The DNA architectures were first assembled under aqueous conditions, and then characterized in solution (using circular dichroism (CD spectroscopy and on the surface (using atomic force microscopy (AFM. Following aqueous assembly, the DNA nanostructures were transitioned to a non-aqueous environment, where butanol was chosen for optical compatibility and thermal properties. The retention of DNA hierarchical structure and thermal stability in non-aqueous conditions were confirmed via CD spectroscopy. The formation and characterization of these higher order DNA-surfactant complexes is described in this paper.

Bioreactor droplets from liposome-stabilized all-aqueous emulsions

Science.gov (United States)

Dewey, Daniel C.; Strulson, Christopher A.; Cacace, David N.; Bevilacqua, Philip C.; Keating, Christine D.

2014-08-01

Artificial bioreactors are desirable for in vitro biochemical studies and as protocells. A key challenge is maintaining a favourable internal environment while allowing substrate entry and product departure. We show that semipermeable, size-controlled bioreactors with aqueous, macromolecularly crowded interiors can be assembled by liposome stabilization of an all-aqueous emulsion. Dextran-rich aqueous droplets are dispersed in a continuous polyethylene glycol (PEG)-rich aqueous phase, with coalescence inhibited by adsorbed ~130-nm diameter liposomes. Fluorescence recovery after photobleaching and dynamic light scattering data indicate that the liposomes, which are PEGylated and negatively charged, remain intact at the interface for extended time. Inter-droplet repulsion provides electrostatic stabilization of the emulsion, with droplet coalescence prevented even for submonolayer interfacial coatings. RNA and DNA can enter and exit aqueous droplets by diffusion, with final concentrations dictated by partitioning. The capacity to serve as microscale bioreactors is established by demonstrating a ribozyme cleavage reaction within the liposome-coated droplets.

Pertechnetate immobilization in aqueous media with hydrogen sulfide under anaerobic and aerobic environments

International Nuclear Information System (INIS)

Liu, Y.; Jurisson, S.; Terry, J.

2007-01-01

The basic chemistry for the immobilization of pertechnetate (TcO 4 - ) by hydrogen sulfide was investigated in aqueous solution under both aerobic and anaerobic environments. Pertechnetate immobilization was acid dependent, with accelerated rates and increased immobilization yields as the acid concentration increased. Oxygen had no effect under acidic conditions. Under anaerobic alkaline conditions, the pH, and therefore the speciation of sulfide, was the determining factor on the immobilization of pertechnetate. Only 53% of the TcO 4 - was immobilized at pH 8, while the yield increased to 83% at pH 9 as HS - became the dominant sulfide species. The immobilization yield then decreased to 73% at pH 13. No reaction was observed between TcO 4 - and sulfide under aerobic alkaline conditions, indicating that oxygen suppressed this reaction. Pertechnetate immobilization was found to be first order with respect to both sulfide and pertechnetate in acidic solutions, and in alkaline solution under anaerobic conditions. The results of stoichiometry studies and product analysis under alkaline anaerobic environments indicated that Tc 2 S 7 was obtained at pH 9. EXAFS (extended X-ray absorption fine structure) and XANES (X-ray absorption near edge structure) studies suggested that the samples obtained from acidic, aerobic solution and alkaline anaerobic solution were both Tc 2 S 7 . The stability of Tc 2 S 7 is affected by O 2 with accelerated dissolution at high pH. (orig.)

The effect of molybdenum on the corrosion behaviour of the high-entropy alloys Co1.5CrFeNi1.5Ti0.5Mox in aqueous environments

International Nuclear Information System (INIS)

Chou, Y.L.; Yeh, J.W.; Shih, H.C.

2010-01-01

The purpose of this study is to investigate the electrochemical properties of the Co 1.5 CrFeNi 1.5 Ti 0.5 Mo x high-entropy alloys in three aqueous environments which simulate acidic, marine, and basic environments at ambient temperature (∼25 o C). The potentiodynamic polarisation curves of the Co 1.5 CrFeNi 1.5 Ti 0.5 Mo x alloys, obtained in aqueous solutions of H 2 SO 4 and NaOH, clearly revealed that the corrosion resistance of the Mo-free alloy was superior to that of the Mo-containing alloys. On the other hand, the lack of hysteresis in cyclic polarisation tests and SEM micrographs confirmed that the Mo-containing alloys are not susceptible to pitting corrosion in NaCl solution.

Use of aqueous and solvent extraction to assess risk and bioavailability of contaminated soil

International Nuclear Information System (INIS)

Bordelon, N.; Huebner, H.; Washburn, K.; Donnelly, K.C.

1995-01-01

Contaminated media at Superfund sites typically consist of complex mixtures of organic and inorganic chemicals. These mixtures are difficult to characterize, both analytically and toxicologically, especially the complex mixtures of polycyclic aromatic hydrocarbons. The current approach to risk assessment assumes that all contaminants in the soil are available for human exposure. EPA protocol uses solvent extraction to remove chemicals from the soil as a basis for estimating risk to the human population. However, contaminants that can be recovered with a solvent extract may not represent chemicals that are available for exposure. A system using aqueous extraction provides a more realistic picture of what chemicals are bioavailable through leaching and ingestion. A study was conducted with coal tar contaminated soil spiked with benzo(a)pyrene, and trinitrotoluene. Samples were extracted with hexane:acetone and water titrated to pH 2 and pH 7. HPLC analysis demonstrated up to 35% and 29% recovery of contaminants from aqueous extracts with an estimated cancer risk one order of magnitude less than that for solvent extracts. Analysis using the Salmonella/microsome assay showed that solvent extracts were genotoxic with metabolic activation while aqueous extracts showed no genotoxicity. These results suggest that aqueous extraction may be useful in determining what contaminants are available for human exposure, as well as what compounds may pose a risk to human health

An Optical Fiber-Based Sensor Array for the Monitoring of Zinc and Copper Ions in Aqueous Environments

Directory of Open Access Journals (Sweden)

Steven Kopitzke

2014-02-01

Full Text Available Copper and zinc are elements commonly used in industrial applications as aqueous solutions. Before the solutions can be discharged into civil or native waterways, waste treatment processes must be undertaken to ensure compliance with government guidelines restricting the concentration of ions discharged in solution. While currently there are methods of analysis available to monitor these solutions, each method has disadvantages, be it high costs, inaccuracy, and/or being time-consuming. In this work, a new optical fiber-based platform capable of providing fast and accurate results when performing solution analysis for these metals is described. Fluorescent compounds that exhibit a high sensitivity and selectivity for either zinc or copper have been employed for fabricating the sensors. These sensors demonstrated sub-part-per-million detection limits, 30-second response times, and the ability to analyze samples with an average error of under 10%. The inclusion of a fluorescent compound as a reference material to compensate for fluctuations from pulsed excitation sources has further increased the reliability and accuracy of each sensor. Finally, after developing sensors capable of monitoring zinc and copper individually, these sensors are combined to form a single optical fiber sensor array capable of simultaneously monitoring concentration changes in zinc and copper in aqueous environments.

The importance of glyceraldehyde radiolysis in chemical evolution

International Nuclear Information System (INIS)

Cruz-Castaneda, J.; Melendez-Lopez, A.; Buhse, T.; Ramos-Bernal, S.; Camargo-Raya, C.; Negron-Mendoza, A.; Fuentes-Carreon, C.; Universidad Nacional Autonoma de Mexico, Mexico City

2017-01-01

Studies in chemical evolution are intended to demonstrate how compounds of biological importance are generated from substances that could have been found in abiotic conditions on the primitive Earth or in extraterrestrial environments. In this context, the aim of the present work was to examine the behavior of DL-glyceraldehyde in both aqueous solution and solid samples under gamma irradiation. We irradiated dl-glyceraldehyde at different doses and temperatures with a gamma source; even at low doses and temperature (77 K), free radicals were detected. Among the products formed were ethylene glycol and glycolaldehyde. Some sugar-like compounds were also detected. (author)

The effect of the indoor environment on the fate of organic chemicals in the urban landscape

Energy Technology Data Exchange (ETDEWEB)

Cousins, Anna Palm, E-mail: anna.cousins@ivl.se

2012-11-01

To assess the effect of the indoor environment on the urban fate of organic chemicals, an 8-compartment indoor-inclusive steady state multimedia chemical fate model was developed. The model includes typical urban compartments (air, soil, water, sediment, and urban film) and a novel module representing a generic indoor environment. The model was parameterized to the municipality of Stockholm, Sweden and applied to four organic chemicals with different physical-chemical characteristics and use patterns: formaldehyde, 2,4,6-tribromophenol, di-ethylhexylphthalate and decabromodiphenyl ether. The results show that emissions to indoor air may increase the steady state mass and residence time in the urban environment by a factor of 1.1 to 22 for the four chemicals, compared to if emissions are assigned to outdoor air. This is due to the nested nature of the indoor environment, which creates a physical barrier that prevents chemicals from leaving the urban system with outflowing air. For DEHP and BDE 209, the additional partitioning to indoor surfaces results in a greater importance of the indoor removal pathways from surfaces. The outdoor environmental concentrations of these chemicals are predicted to be lower if emitted to indoor air than if emitted to outdoor air because of the additional indoor removal pathways of dust and indoor film, leading to loss of chemical from the system. For formaldehyde and 2,4,6-TBP outdoor environmental concentrations are not affected by whether the release occurs indoors or outdoors because of the limited partitioning to indoor surfaces. A sensitivity analysis revealed that there appears to be a relationship between logK{sub OA} and the impact of the ventilation rate on the urban fate of organic chemicals. -- Highlights: Black-Right-Pointing-Pointer A novel indoor-inclusive multimedia urban fate model is developed and applied. Black-Right-Pointing-Pointer Emissions indoors may increase the urban chemical residence time. Black

Fabrication and characterization of ultrathin dextran layers: Time dependent nanostructure in aqueous environments revealed by OWLS.

Science.gov (United States)

Saftics, Andras; Kurunczi, Sándor; Szekrényes, Zsolt; Kamarás, Katalin; Khánh, Nguyen Quoc; Sulyok, Attila; Bősze, Szilvia; Horvath, Robert

2016-10-01

Surface coatings of the polysaccharide dextran and its derivatives are key ingredients especially in label-free biosensors for the suppression of non-specific binding and for receptor immobilization. Nevertheless, the nanostructure of these ultrathin coatings and its tailoring by the variation of the preparation conditions have not been profoundly characterized and understood. In this work carboxymethylated dextran (CMD) was prepared and used for fabricating ultrathin surface coatings. A grafting method based on covalent coupling to aminosilane- and epoxysilane-functionalized surfaces was applied to obtain thin CMD layers. The carboxyl moiety of the CMD was coupled to the aminated surface by EDC-NHS reagents, while CMD coupling through epoxysilane molecules was performed without any additional reagents. The surface analysis following the grafting procedures consisted of X-ray photoelectron spectroscopy (XPS), attenuated total reflection infrared spectroscopy (ATR-IR), spectroscopic ellipsometry, atomic force microscopy (AFM) and optical waveguide lightmode spectroscopy (OWLS). The XPS and AFM measurements showed that the grafting resulted in a very thin dextran layer of a few nanometers. The OWLS method allowed devising the structure of the interfacial dextran layers by the evaluation of the optogeometrical parameters. The alteration in the nanostructure of the CMD layer with the chemical composition of the silane coverage and the pH of the grafting solution was revealed by in situ OWLS, specifically, lain down chains were found to be prevalent on the surface under neutral and basic conditions on epoxysilylated surfaces. The developed methodologies allowed to design and fabricate nanometer scale CMD layers with well-controlled surface structure, which are very difficult to characterize in aqueous environments using present instrumentations and highly hydrated surface layers. Copyright © 2016 Elsevier B.V. All rights reserved.

Commentary: Ex Situ Aqueous Mineral Carbonation

Energy Technology Data Exchange (ETDEWEB)

Gadikota, Greeshma, E-mail: gadikota@princeton.edu [Department of Civil and Environmental Engineering, Princeton University, Princeton, NJ (United States)

2016-05-26

CO{sub 2} conversion to calcium and magnesium carbonates has garnered considerable attention since it is a thermodynamically downhill pathway to safely and permanently sequester large quantities of CO{sub 2}. This seminal work performed at The National Energy Technology Laboratory in Albany (NETL-Albany) reports the conversion of calcium- and magnesium-bearing silicate minerals, such as olivine [(Mg, Fe){sub 2}SiO{sub 4}], wollastonite (CaSiO{sub 3}), and serpentine [Mg{sub 3}Si{sub 2}O{sub 5}(OH){sub 4}], as they are reacted with CO{sub 2} in an aqueous environment to form magnesium or calcium carbonates. This paper discusses various pretreatment methods of the starting materials, such as grinding or heat treatment of hydroxylated Mg silicates, to enhance the reaction kinetics. The effects of various chemical additives (e.g., NaCl and NaHCO{sub 3}), and reaction parameters, such as temperature, pressure, and reaction time, on the conversion are investigated. Feasibility assessments and energy and economic analyses of the direct carbonation of calcium- and magnesium-bearing minerals are presented.

Development of linear free energy relationships for aqueous phase radical-involved chemical reactions.

Science.gov (United States)

Minakata, Daisuke; Mezyk, Stephen P; Jones, Jace W; Daws, Brittany R; Crittenden, John C

2014-12-02

Aqueous phase advanced oxidation processes (AOPs) produce hydroxyl radicals (HO•) which can completely oxidize electron rich organic compounds. The proper design and operation of AOPs require that we predict the formation and fate of the byproducts and their associated toxicity. Accordingly, there is a need to develop a first-principles kinetic model that can predict the dominant reaction pathways that potentially produce toxic byproducts. We have published some of our efforts on predicting the elementary reaction pathways and the HO• rate constants. Here we develop linear free energy relationships (LFERs) that predict the rate constants for aqueous phase radical reactions. The LFERs relate experimentally obtained kinetic rate constants to quantum mechanically calculated aqueous phase free energies of activation. The LFERs have been applied to 101 reactions, including (1) HO• addition to 15 aromatic compounds; (2) addition of molecular oxygen to 65 carbon-centered aliphatic and cyclohexadienyl radicals; (3) disproportionation of 10 peroxyl radicals, and (4) unimolecular decay of nine peroxyl radicals. The LFERs correlations predict the rate constants within a factor of 2 from the experimental values for HO• reactions and molecular oxygen addition, and a factor of 5 for peroxyl radical reactions. The LFERs and the elementary reaction pathways will enable us to predict the formation and initial fate of the byproducts in AOPs. Furthermore, our methodology can be applied to other environmental processes in which aqueous phase radical-involved reactions occur.

40 CFR 796.1050 - Absorption in aqueous solution: Ultraviolet/visible spectra.

Science.gov (United States)

2010-07-01

... applied to measure the absorption spectra. (b) Method—(1)(i) Introduction, purpose, scope, relevance... volume of HCl or NaOH in aqueous solution ([HCl], [NaOH]=1 mol/L). (4) In theory, all chemical species...) Katelaar, J.A.A., Photoelectric Spectrometry Group Bulletin, 8, (Cambridge, 1955). (3) Chemical Rubber...

Reduction in Friction and Wear of Alumina Surfaces as Assisted with Surface-Adsorbing Polymers in Aqueous Solutions

DEFF Research Database (Denmark)

Røn, Troels; Lee, Seunghwan

2016-01-01

We have investigated the aqueous lubricating effects of various polymers for the sliding contacts of self-mated alumina surfaces in neutral aqueous environment. Given that isoelectric point (IEP) of alumina is ca. pH 9, polyanions can readily adsorb onto alumina surface at neutral pH via electros......We have investigated the aqueous lubricating effects of various polymers for the sliding contacts of self-mated alumina surfaces in neutral aqueous environment. Given that isoelectric point (IEP) of alumina is ca. pH 9, polyanions can readily adsorb onto alumina surface at neutral pH via...

Lead (II) and nickel (II) adsorption kinetics from aqueous metal ...

African Journals Online (AJOL)

This paper discusses the kinetics of lead (II) and Nickel (II) ions adsorption from aqueous solutions using chemically modified and unmodified agricultural adsorbents at 28°C, pH 6.2 and 0.01M NaCl ionic strength. The removal of the two metals were found to increase with increase in chemical modification, the sequence ...

Larvicidal effects of aqueous extracts of Balanites aegyptiaca (desert ...

African Journals Online (AJOL)

Administrator

The effect of aqueous extracts of the fruit pulp, seed kernel, roots, bark, and leaves of Balanites aegyptiaca Del. ... Mosquitoes constitute a major public health menace as ..... chemical characteristics, oil recovery and fatty acid composition of.

Some recent trends in computer simulations of aqueous double layers

International Nuclear Information System (INIS)

Spohr, E.

2003-01-01

Recent molecular simulations of the electric double layer between an aqueous and a metallic phase are reviewed. Several trends in the field can be identified: (i) the increasing use of ab initio simulation methods, most notably the Car-Parrinello method, allows to combine a statistical mechanical description of the double layer with a description of elementary chemical processes on the electronic structure level; (ii) the application of free-energy methods in one and (recently) two dimensions to describe chemical reactivity within and beyond the framework of the Marcus theory of electron transfer; and (iii) at high concentrations, direct simulations of two-phase systems with an aqueous solution and a charged or uncharged solid phase or surface can model the entire double layer region

Journal of Chemical Sciences | Indian Academy of Sciences

Indian Academy of Sciences (India)

Solvent effect in aqueous media was treated using the integral equation formalism of the ... Reaction rate constants in aqueous media were generally found to be larger than those in gas phase. ... Journal of Chemical Sciences | News.

Mid-Infrared Sensing of Organic Pollutants in Aqueous Environments

Directory of Open Access Journals (Sweden)

Andrew Ross

2009-08-01

Full Text Available The development of chemical sensors for monitoring the levels of organic pollutants in the aquatic environment has received a great deal of attention in recent decades. In particular, the mid-infrared (MIR sensor based on attenuated total reflectance (ATR is a promising analytical tool that has been used to detect a variety of hydrocarbon compounds (i.e., aromatics, alkyl halides, phenols, etc. dissolved in water. It has been shown that under certain conditions the MIR-ATR sensor is capable of achieving detection limits in the 10-100 ppb concentration range. Since the infrared spectral features of every single organic molecule are unique, the sensor is highly selective, making it possible to distinguish between many different analytes simultaneously. This review paper discusses some of the parameters (i.e., membrane type, film thickness, conditioning that dictate MIR ATR sensor response. The performance of various chemoselective membranes which are used in the fabrication of the sensor will be evaluated. Some of the challenges associated with long-term environmental monitoring are also discussed.

Mid-Infrared Sensing of Organic Pollutants in Aqueous Environments

Science.gov (United States)

Pejcic, Bobby; Myers, Matthew; Ross, Andrew

2009-01-01

The development of chemical sensors for monitoring the levels of organic pollutants in the aquatic environment has received a great deal of attention in recent decades. In particular, the mid-infrared (MIR) sensor based on attenuated total reflectance (ATR) is a promising analytical tool that has been used to detect a variety of hydrocarbon compounds (i.e., aromatics, alkyl halides, phenols, etc.) dissolved in water. It has been shown that under certain conditions the MIR-ATR sensor is capable of achieving detection limits in the 10–100 ppb concentration range. Since the infrared spectral features of every single organic molecule are unique, the sensor is highly selective, making it possible to distinguish between many different analytes simultaneously. This review paper discusses some of the parameters (i.e., membrane type, film thickness, conditioning) that dictate MIR-ATR sensor response. The performance of various chemoselective membranes which are used in the fabrication of the sensor will be evaluated. Some of the challenges associated with long-term environmental monitoring are also discussed. PMID:22454582

Predicting chemical environments of bacteria from receptor signaling.

Directory of Open Access Journals (Sweden)

Diana Clausznitzer

2014-10-01

Full Text Available Sensory systems have evolved to respond to input stimuli of certain statistical properties, and to reliably transmit this information through biochemical pathways. Hence, for an experimentally well-characterized sensory system, one ought to be able to extract valuable information about the statistics of the stimuli. Based on dose-response curves from in vivo fluorescence resonance energy transfer (FRET experiments of the bacterial chemotaxis sensory system, we predict the chemical gradients chemotactic Escherichia coli cells typically encounter in their natural environment. To predict average gradients cells experience, we revaluate the phenomenological Weber's law and its generalizations to the Weber-Fechner law and fold-change detection. To obtain full distributions of gradients we use information theory and simulations, considering limitations of information transmission from both cell-external and internal noise. We identify broad distributions of exponential gradients, which lead to log-normal stimuli and maximal drift velocity. Our results thus provide a first step towards deciphering the chemical nature of complex, experimentally inaccessible cellular microenvironments, such as the human intestine.

In situ study at high pressure and temperature of the environment of water in hydrous Na and Ca aluminosilicate melts and coexisting aqueous fluids

Science.gov (United States)

Le Losq, Charles; Dalou, Célia; Mysen, Bjorn O.

2017-07-01

The bonding and speciation of water dissolved in Na silicate and Na and Ca aluminosilicate melts were inferred from in situ Raman spectroscopy of the samples, in hydrothermal diamond anvil cells, while at crustal temperature and pressure conditions. Raman data were also acquired on Na silicate and Na and Ca aluminosilicate glasses, quenched from hydrous melts equilibrated at high temperature and pressure in a piston cylinder apparatus. In the hydrous melts, temperature strongly influences O-H stretching ν(O-H) signals, reflecting its control on the bonding of protons between different molecular complexes. Pressure and melt composition effects are much smaller and difficult to discriminate with the present data. However, the chemical composition of the melt + fluid system influences the differences between the ν(O-H) signals from the melts and the fluids and, hence, between their hydrogen partition functions. Quenching modifies the O-H stretching signals: strong hydrogen bonds form in the glasses below the glass transition temperature Tg, and this phenomenon depends on glass composition. Therefore, glasses do not necessarily record the O-H stretching signal shape in melts near Tg. The melt hydrogen partition function thus cannot be assessed with certainty using O-H stretching vibration data from glasses. From the present results, the ratio of the hydrogen partition functions of hydrous silicate melts and aqueous fluids mostly depends on temperature and the bulk melt + fluid system chemical composition. This implies that the fractionation of hydrogen isotopes between magmas and aqueous fluids in water-saturated magmatic systems with differences in temperature and bulk chemical composition will be different.

The europium and praseodymium hydrolysis in a 2M NaCl environment

International Nuclear Information System (INIS)

Jimenez R, M.; Lopez G, H.; Solache R, M.; Rojas H, A.

1998-01-01

It was studied the europium and praseodymium hydrolysis in a 2M NaCl ion force environment at 303 K, through two methods: this one extraction with dissolvents (lanthanide-water-NaCl-dibenzoylmethane) in presence of a competitive ligand (diglycolic acid) and that one direct potentiometric titration, of soluble species, followed by a computer refining. The values of one or another techniques of the first hydrolysis constants obtained were similar, which demonstrates that the results are reliable. The set of data obtained on the stability constants of hydrolysis products allowed to draw up the distribution diagrams of chemical species, as europium as praseodymium in aqueous environment. (Author)

Chemical ecotoxicology

International Nuclear Information System (INIS)

Paasivirta, J.

1991-01-01

This book discusses risk assessment, chemical cycles, structure-activity relations, organohalogens, oil residues, mercury, sampling and analysis of trace chemicals, and emissions from the forestry industry. Topics include: Cycles of chemicals in the environment. Rick assessment and management, strucuture and toxicity, sampling and analysis of trace chemicals in environment, interpretation of the environmental analysis results, mercury in the environment, organohalogen compounds in the environment, emissions from forestry industry, oil residues in the environment: oil spills in the marine environment

Aggregation behavior of nanodiamonds and their functionalized analogs in an aqueous environment.

Science.gov (United States)

Desai, Chintal; Chen, Kun; Mitra, Somenath

2014-03-01

The colloidal behavior of aqueous dispersions of detonation nanodiamonds (DNDs) and carboxylated nanodiamonds (DND-COOH) which were synthesized via a microwave process is presented. Both forms of DNDs were found to be relatively stable in aqueous solutions, but aggregated rapidly in the presence of mono and divalent salts. The critical coagulation concentration (CCC) values for DNDs and DND-COOH were estimated to be between 8 and 10 mM for NaCl and 7 and 8 mM for MgCl2. In general, the formation of carboxyl groups on the DND surface did not alter colloidal behavior as dramatically as it is known to do for other nanocarbons especially carbon nanotubes.

Chemical processes induced radiolytically in well defined aqueous systems

International Nuclear Information System (INIS)

Thomas, J.K.

1979-01-01

The radiation chemistry of dilute aqueous systems is discussed in terms of the simple primary radicals and ions produced, and also in terms of reactions of secondary radicals produced via attack of the primary species on organic solutes. These simple systems are extended to 3 more complex systems: (a) solutions of polymers, (b) micelles and vesicles, and (c) inverted micelles containing water bubbles. These latter systems all contain new and interesting features not exhibited by dilute solutions of simple molecules, and are of particular importance with respect to bio-systems

Chemically immobilised carbon nanotubes on silicon: Stable surfaces for aqueous electrochemistry

Energy Technology Data Exchange (ETDEWEB)

Flavel, Benjamin S., E-mail: ben.flavel@flinders.edu.a [Department of Chemistry, University of Canterbury, Private Bag 4800, Christchurch 8140 (New Zealand); School of Chemistry, Physics and Earth Sciences, Flinders University, Sturt Road, Bedford Park, Adelaide, South Australia 5001 (Australia); Garrett, David J.; Lehr, Joshua [Department of Chemistry, University of Canterbury, Private Bag 4800, Christchurch 8140 (New Zealand); MacDiarmid Institute for Advanced Materials and Nanotechnology, Private Bag 4800, Christchurch 8140 (New Zealand); Shapter, Joseph G. [School of Chemistry, Physics and Earth Sciences, Flinders University, Sturt Road, Bedford Park, Adelaide, South Australia 5001 (Australia); Downard, Alison J., E-mail: alison.downard@canterbury.ac.n [Department of Chemistry, University of Canterbury, Private Bag 4800, Christchurch 8140 (New Zealand); MacDiarmid Institute for Advanced Materials and Nanotechnology, Private Bag 4800, Christchurch 8140 (New Zealand)

2010-04-30

Diazonium ion chemistry has been used to electrochemically graft aminophenyl layers onto p-type silicon (1 0 0) substrates. A condensation reaction was used to immobilise single-walled carbon nanotubes with high carboxylic acid functionality directly to this layer. Electrochemical monitoring of the aminophenyl groups confirmed the formation of an amide linkage between the single-walled carbon nanotubes and the aminophenyl layer. The carbon nanotube electrode showed high stability and good electrochemical performance in aqueous solution. At moderate scan rates the Ru(NH{sub 3}){sub 6}{sup +3/+2} couple exhibited quasi-reversible electron transfer kinetics with a standard heterogenous rate constant of 1.2 x 10{sup -3} cm s{sup -1} at the covalently-linked carbon nanotube surface. The electrode thus combines the advantages of a silicon substrate for easy integration into sophisticated electrical and electronic devices, carbon nanotubes for desirable electrochemical properties, and stability in aqueous medium for future applications in environmental sensing.

Chemically immobilised carbon nanotubes on silicon: Stable surfaces for aqueous electrochemistry

International Nuclear Information System (INIS)

Flavel, Benjamin S.; Garrett, David J.; Lehr, Joshua; Shapter, Joseph G.; Downard, Alison J.

2010-01-01

Diazonium ion chemistry has been used to electrochemically graft aminophenyl layers onto p-type silicon (1 0 0) substrates. A condensation reaction was used to immobilise single-walled carbon nanotubes with high carboxylic acid functionality directly to this layer. Electrochemical monitoring of the aminophenyl groups confirmed the formation of an amide linkage between the single-walled carbon nanotubes and the aminophenyl layer. The carbon nanotube electrode showed high stability and good electrochemical performance in aqueous solution. At moderate scan rates the Ru(NH 3 ) 6 +3/+2 couple exhibited quasi-reversible electron transfer kinetics with a standard heterogenous rate constant of 1.2 x 10 -3 cm s -1 at the covalently-linked carbon nanotube surface. The electrode thus combines the advantages of a silicon substrate for easy integration into sophisticated electrical and electronic devices, carbon nanotubes for desirable electrochemical properties, and stability in aqueous medium for future applications in environmental sensing.

Low Pressure Tolerance by Methanogens in an Aqueous Environment: Implications for Subsurface Life on Mars

Science.gov (United States)

Mickol, R. L.; Kral, T. A.

2017-12-01

The low pressure at the surface of Mars (average: 6 mbar) is one potentially biocidal factor that any extant life on the planet would need to endure. Near subsurface life, while shielded from ultraviolet radiation, would also be exposed to this low pressure environment, as the atmospheric gas-phase pressure increases very gradually with depth. Few studies have focused on low pressure as inhibitory to the growth or survival of organisms. However, recent work has uncovered a potential constraint to bacterial growth below 25 mbar. The study reported here tested the survivability of four methanogen species ( Methanothermobacter wolfeii, Methanosarcina barkeri, Methanobacterium formicicum, Methanococcus maripaludis) under low pressure conditions approaching average martian surface pressure (6 mbar - 143 mbar) in an aqueous environment. Each of the four species survived exposure of varying length (3 days - 21 days) at pressures down to 6 mbar. This research is an important stepping-stone to determining if methanogens can actively metabolize/grow under these low pressures. Additionally, the recently discovered recurring slope lineae suggest that liquid water columns may connect the surface to deeper levels in the subsurface. If that is the case, any organism being transported in the water column would encounter the changing pressures during the transport.

Low Pressure Tolerance by Methanogens in an Aqueous Environment: Implications for Subsurface Life on Mars.

Science.gov (United States)

Mickol, R L; Kral, T A

2017-12-01

The low pressure at the surface of Mars (average: 6 mbar) is one potentially biocidal factor that any extant life on the planet would need to endure. Near subsurface life, while shielded from ultraviolet radiation, would also be exposed to this low pressure environment, as the atmospheric gas-phase pressure increases very gradually with depth. Few studies have focused on low pressure as inhibitory to the growth or survival of organisms. However, recent work has uncovered a potential constraint to bacterial growth below 25 mbar. The study reported here tested the survivability of four methanogen species (Methanothermobacter wolfeii, Methanosarcina barkeri, Methanobacterium formicicum, Methanococcus maripaludis) under low pressure conditions approaching average martian surface pressure (6 mbar - 143 mbar) in an aqueous environment. Each of the four species survived exposure of varying length (3 days - 21 days) at pressures down to 6 mbar. This research is an important stepping-stone to determining if methanogens can actively metabolize/grow under these low pressures. Additionally, the recently discovered recurring slope lineae suggest that liquid water columns may connect the surface to deeper levels in the subsurface. If that is the case, any organism being transported in the water column would encounter the changing pressures during the transport.

Stability characteristics and structural properties of single- and double-walled boron-nitride nanotubes under physical adsorption of Flavin mononucleotide (FMN) in aqueous environment using molecular dynamics simulations

International Nuclear Information System (INIS)

Ansari, R.; Ajori, S.; Ameri, A.

2016-01-01

Graphical abstract: Structural properties and stability characteristics of single- and double-walled boron-nitride nanotubes functionalized with Flavin mononucleotide (FMN) in aqueous environment are investigated employing molecular dynamics simulations. - Highlights: • Structural and buckling analysis of boron-nitride nanotubes under physical adsorption of Flavin mononucleotide (FMN). • Gyration radius increases linearly as the weight percentage of FMN increases. • Presence of water molecules results in more expansion of FMN around BNNTs. • Critical buckling force of functionalized BNNTs is higher than that of pure BNNTs. • The critical strain of functionalized BNNTs is found to be lower than that of pure ones. - Abstract: The non-cytotoxic properties of Boron-nitride nanotubes (BNNTs) and the ability of stable interaction with biomolecules make them so promising for biological applications. In this research, molecular dynamics (MD) simulations are performed to investigate the structural properties and stability characteristics of single- and double-walled BNNTs under physical adsorption of Flavin mononucleotide (FMN) in vacuum and aqueous environments. According to the simulation results, gyration radius increases by rising the weight percentage of FMN. Also, the results demonstrate that critical buckling force of functionalized BNNTs increases in vacuum. Moreover, it is observed that by increasing the weight percentage of FMN, critical force of functionalized BNNTs rises. By contrast, critical strain reduces by functionalization of BNNTs in vacuum. Considering the aqueous environment, it is observed that gyration radius and critical buckling force of functionalized BNNTs increase more considerably than those of functionalized BNNTs in vacuum, whereas the critical strains approximately remain unchanged.

Progress in the study on Pu chemical behavior under the geological environment

International Nuclear Information System (INIS)

Zhang Yingjie; Fan Xianhua

2006-01-01

The generation, characteristic, and disposal technology of the high level radioactive waste were discussed, and a progress in the study on the chemical behavior of Pu, a transuranic element possessing the long-term potential risk for the environment, under the geological repository was reviewed. Release behavior of Pu from the high level radioactive glass waste form, the basic chemical reactions of Pu possibly happening in groundwater, including solubility, complexation, redox reaction, and colloidal formation. Some proposals for the further work in China are also suggested. (authors)

Quantitative Characterization of Aqueous Byproducts from Hydrothermal Liquefaction of Municipal Wastes, Food Industry Wastes, and Biomass Grown on Waste

Energy Technology Data Exchange (ETDEWEB)

Maddi, Balakrishna; Panisko, Ellen; Wietsma, Thomas; Lemmon, Teresa; Swita, Marie; Albrecht, Karl; Howe, Daniel

2017-01-27

Hydrothermal liquefaction (HTL) is a viable thermochemical process for converting wet solid wastes into biocrude which can be hydroprocessed to liquid transportation fuel blendstocks and specialty chemicals. The aqueous byproduct from HTL contains significant amounts (20 to 50%) of the feed carbon, which must be used to enhance economic sustainability of the process on an industrial scale. In this study, aqueous fractions produced from HTL of industrial and municipal waste were characterized using a wide variety of analytical approaches. Organic chemical compounds present in these aqueous fractions were identified using two-dimensional gas chromatography equipped with time-of-flight mass spectrometry. Identified compounds include organic acids, nitrogen compounds, alcohols, aldehydes, and ketones. Conventional gas chromatography and liquid chromatography methods were employed to quantify the identified compounds. Inorganic species, in the aqueous stream of hydrothermal liquefaction of these aqueous byproducts, also were quantified using ion chromatography and inductively coupled plasma optical emission spectroscopy. The concentrations of organic chemical compounds and inorganic species are reported, and the significance of these results is discussed in detail.

Reversible chemical patterning on stimuli-responsive polymer film: Environment-responsive lithography

International Nuclear Information System (INIS)

Ionov, Leonid; Minko, Sergiy; Stamm, Manfred; Gohy, Jean-Francois; Jerome, Robert; Scholl, Andreas

2003-01-01

We report on a novel type of chemical patterning based on thin stimuli-responsive polymer films. The basic concept is the permanent storage (writing) of a pattern, which is reversibly developed and erased upon exposure to appropriate environment, e.g., solvent, pH, and temperature. The smart surface is fabricated from the mixed brush of poly(2-vinylpyridine) and polyisoprene. The mixed brush demonstrates switching behavior upon exposure to different solvents. Cross-linking of polyisoprene via illumination through a photomask results in formation of patterns with suppressed switching. Due to the contrast in switching between illuminated and dark areas, exposure of the smart surface to different solvents causes either reversible formation or erasing of chemical contrast between the illuminated and dark areas. Thus, the pattern surface can very locally attract colloidal particles or can be wetted by water only upon exposure to the special solvent which introduces the contrast between the illuminated and dark areas. Appearance of the patterns indicates particular environment and can be used for local switching of adsorption

Effects of Irradiation on Albite's Chemical Durability.

Science.gov (United States)

Hsiao, Yi-Hsuan; La Plante, Erika Callagon; Krishnan, N M Anoop; Le Pape, Yann; Neithalath, Narayanan; Bauchy, Mathieu; Sant, Gaurav

2017-10-19

Albite (NaAlSi 3 O 8 ), a framework silicate of the plagioclase feldspar family and a common constituent of felsic rocks, is often present in the siliceous mineral aggregates that compose concrete. When exposed to radiation (e.g., in the form of neutrons) in nuclear power plants, the crystal structure of albite can undergo significant alterations. These alterations may degrade its chemical durability. Indeed, careful examinations of Ar + -implanted albite carried out using Fourier transform infrared spectroscopy (FTIR) and molecular dynamics simulations show that albite's crystal structure, upon irradiation, undergoes progressive disordering, resulting in an expansion in its molar volume (i.e., a reduction of density) and a reduction in the connectivity of its atomic network. This loss of network connectivity (i.e., rigidity) results in an enhancement of the aqueous dissolution rate of albite-measured using vertical scanning interferometry (VSI) in alkaline environments-by a factor of 20. This enhancement in the dissolution rate (i.e., reduction in chemical durability) of albite following irradiation has significant impacts on the durability of felsic rocks and of concrete containing them upon their exposure to radiation in nuclear power plant (NPP) environments.

Structure and dynamics of the uranyl tricarbonate complex in aqueous solution: insights from quantum mechanical charge field molecular dynamics.

Science.gov (United States)

Tirler, Andreas O; Hofer, Thomas S

2014-11-13

This investigation presents the characterization of structural and dynamical properties of uranyl tricarbonate in aqueous solution employing an extended hybrid quantum mechanical/molecular mechanical (QM/MM) approach. It is shown that the inclusion of explicit solvent molecules in the quantum chemical treatment is essential to mimic the complex interaction occurring in an aqueous environment. Thus, in contrast to gas phase cluster calculations on a quantum chemical level proposing a 6-fold coordination of the three carbonates, the QMCF MD simulation proposes a 5-fold coordination. An extensive comparison of the simulation results to structural and dynamical data available in the literature was found to be in excellent agreement. Furthermore, this work is the first theoretical study on a quantum chemical level of theory able to observe the conversion of carbonate (CO₃²⁻) to bicarbonate (HCO₃⁻) in the equatorial coordination sphere of the uranyl ion. From a comparison of the free energy ΔG values for the unprotonated educt [UO₂(CO₃)₃]⁴⁻ and the protonated [UO₂(CO₃)₂(HCO₃)]³⁻, it could be concluded that the reaction equilibrium is strongly shifted toward the product state confirming the benignity for the observed protonation reaction. Structural properties and the three-dimensional arrangement of carbonate ligands were analyzed via pair-, three-body, and angular distributions, the dynamical properties were evaluated by hydrogen-bond correlation functions and vibrational power spectra.

Electrochemical and corrosion behavior of a 304 stainless-steel-based metal alloy wasteform in dilute aqueous environments

International Nuclear Information System (INIS)

Chen, Jian; Asmussen, R. Matthew; Zagidulin, Dmitrij; Noël, James J.; Shoesmith, David W.

2013-01-01

Highlights: ► We investigated the corrosion behavior of a metal alloy in six reference solutions. ► Majority of rhenium used as a technetium surrogate contained within a Fe 2 Mo phase. ► This prototype alloy exhibited generally passive behavior in all environments. ► Passivity breakdown events can occur and lead to localized corrosion. - Abstract: The electrochemical and corrosion behavior of a stainless-steel-based alloy made as a prototype metallic nuclear wasteform to immobilize 99 Tc, has been studied in a number of reference solutions ranging in pH from 4 to 10. The results showed the 47SS(304)-9Zr–23Mo prototype alloy contained at least five distinct phases with the majority of the Re, used as a Tc surrogate, contained within a Fe 2 Mo intermetallic phase. Polarization studies showed this alloy exhibited generally passive behavior in a range of dilute aqueous environments. Impedance measurements indicated passivity breakdown events can occur and lead to localized corrosion, especially in slightly alkaline conditions.

REACT-Mod: a mathematical model for transient calculation of chemical reactions with U-Pu-Np-Tc in the aqueous nitric acid solution

International Nuclear Information System (INIS)

Tachimori, Shoichi; Kitamura, Tatsuaki.

1996-10-01

A computer code REACT-Mod which simulates various chemical reactions in an aqueous nitric acid solution involving uranium, plutonium, neptunium, technetium etc. e.g., redox, radiolytic and disproportionation reactions of 68, was developed based on the kinetics model. The numerical solution method adopted in the code are two, a kinetics model totally based on the rate law of which differential equations are solved by the modified Porsing method, and a two-step model based on both the rate law and equilibrium law. Only the former treats 27 radiolytic reactions. The latter is beneficially used to have a quick and approximate result by economical computation. The present report aims not only to explain the concept, chemical reactions treated and characteristics of the model but also to provide details of the program for users of the REACT-Mod code. (author)

Designer solvents for the extraction of glycols and alcohols from aqueous streams

NARCIS (Netherlands)

Garcia Chavez, L.Y.

2013-01-01

The separation of polar compounds from aqueous streams is one of the most energy intensive operations within the chemical industry, because of the formation of hydrogen bonds that should be broken and the high heat of vaporization of water. Important bulk chemicals like glycols and alcohols produced

Actinide recovery using aqueous biphasic extraction: Initial developmental studies

International Nuclear Information System (INIS)

Chaiko, D.J.; Mensah-Biney, R.; Mertz, C.J.; Rollins, A.N.

1992-08-01

Aqueous biphasic extraction systems are being developed to treat radioactive wastes. The separation technique involves the selective partitioning of either solutes or colloid-size particles between two scible aqueous phases. Wet grinding of plutonium residues to an average particle size of one micron will be used to liberate the plutonium from the bulk of the particle matrix. The goal is to produce a plutonium concentrate that will integrate with existing and developing chemical recovery processes. Ideally, the process would produce a nonTRU waste stream. Coupling physical beneficiation with chemical processing will result in a substantial reduction in the volume of mixed wastes generated from dissolution recovery processes. As part of this program, we will also explore applications of aqueous biphasic extraction that include the separation and recovery of dissolved species such as metal ions and water-soluble organics. The expertise and data generated in this work will form the basis for developing more cost-effective processes for handling waste streams from environmental restoration and waste management activities within the DOE community. This report summarizes the experimental results obtained during the first year of this effort. Experimental efforts were focused on elucidating the surface and solution chemistry variables which govern partitioning behavior of plutonium and silica in aqueous biphasic extraction systems. Additional efforts were directed toward the development of wet grinding methods for producing ultrafine particles with diameters of one micron or less

Actinide recovery using aqueous biphasic extraction: Initial developmental studies

Energy Technology Data Exchange (ETDEWEB)

Chaiko, D.J.; Mensah-Biney, R.; Mertz, C.J.; Rollins, A.N.

1992-08-01

Aqueous biphasic extraction systems are being developed to treat radioactive wastes. The separation technique involves the selective partitioning of either solutes or colloid-size particles between two scible aqueous phases. Wet grinding of plutonium residues to an average particle size of one micron will be used to liberate the plutonium from the bulk of the particle matrix. The goal is to produce a plutonium concentrate that will integrate with existing and developing chemical recovery processes. Ideally, the process would produce a nonTRU waste stream. Coupling physical beneficiation with chemical processing will result in a substantial reduction in the volume of mixed wastes generated from dissolution recovery processes. As part of this program, we will also explore applications of aqueous biphasic extraction that include the separation and recovery of dissolved species such as metal ions and water-soluble organics. The expertise and data generated in this work will form the basis for developing more cost-effective processes for handling waste streams from environmental restoration and waste management activities within the DOE community. This report summarizes the experimental results obtained during the first year of this effort. Experimental efforts were focused on elucidating the surface and solution chemistry variables which govern partitioning behavior of plutonium and silica in aqueous biphasic extraction systems. Additional efforts were directed toward the development of wet grinding methods for producing ultrafine particles with diameters of one micron or less.

The main chemical safety problems in main process of nuclear fuel reprocessing plant

International Nuclear Information System (INIS)

Song Fengli; Zhao Shangui; Liu Xinhua; Zhang Chunlong; Lu Dan; Liu Yuntao; Yang Xiaowei; Wang Shijun

2014-01-01

There are many chemical reactions in the aqueous process of nuclear fuel reprocessing. The reaction conditions and the products are different so that the chemical safety problems are different. In the paper the chemical reactions in the aqueous process of nuclear fuel reprocessing are described and the main chemical safety problems are analyzed. The reference is offered to the design and accident analysis of the nuclear fuel reprocessing plant. (authors)

Extensions to the coupled chemical equilibria and migration code CHEQMATE

International Nuclear Information System (INIS)

Haworth, A.; Sharland, S.M.; Tasker, P.W.; Tweed, C.J.

1988-08-01

The CHEQMATE program was developed to model the evolution of spatially inhomogeneous aqueous chemical systems. The original CHEQMATE models one-dimensional diffusion and electromigration of ionic species with chemical equilibration provided by the geochemical program PHREEQE. CHEQMATE has principally been used to study the evolution of the chemical environment in and around a nuclear waste repository. In this paper, we describe extensions to CHEQMATE to increase the range of situations that can be modelled. These extensions are the addition of advection of species in a constant groundwater flow, the facility to model migration of species through a series of media with different transport properties and migration in a spherical geometry which allows investigation of dilution effects. For each extension, we describe the alterations in the transport part of the code and consider how the model is set up. An example of a problem using the different versions is given. (author)

Wet spinning PAN-fibres from aqueous solutions of ZnCl2 and NaSCN

Science.gov (United States)

Köhler, T.; Peterek, S.; Gries, T.

2017-10-01

In 2007 a chemical regulation order was adopted in Europe and China, to protect the environment and human beings from hazardous substances in consumer goods and their working environment. It is a topic of interest for the rest of the world, as well. Some substances are banned by law from industrial application. The organic solvents Dimethylformamide (DMF) and Dimethylacetamide (DMAc) are candidates for prohibition. To be prepared, the producers of carbon fibres, hollow fibres and wet spun textile products are looking for alternative solvents for their production processes and try to gain according process Know- How. Aqueous solutions of inorganic salts are the most promising alternative. Within this work, the the major differences between the organic and inorganic solvents are shown and the effects on the production costs are shown. This should show the chances which are linked with the use of the alternative solvents.

Effect of acidic aqueous solution on chemical and physical properties of polyamide NF membranes

Science.gov (United States)

Jun, Byung-Moon; Kim, Su Hwan; Kwak, Sang Kyu; Kwon, Young-Nam

2018-06-01

This work was systematically investigated the effects of acidic aqueous solution (15 wt% sulfuric acid as model wastewater from smelting process) on the physical and chemical properties of commercially available nanofiltration (NF) polyamide membranes, using piperazine (PIP)-based NE40/70 membranes and m-phenylene diamine (MPD)-based NE90 membrane. Surface properties of the membranes were studied before and after exposure to strong acid using various analytical tools: Scanning Electron Microscopy (SEM), Attenuated Total Reflectance-Fourier Transform Infrared spectroscopy (ATR-FTIR), X-ray photoelectron spectroscopy (XPS), Time-of-Flight Secondary Ion Mass Spectrometry (ToF-SIMS), contact angle analyzer, and electrophoretic light scattering spectrophotometer. The characterization and permeation results showed piperazine-based NE40/70 membranes have relatively lower acid-resistance than MPD-based NE90 membrane. Furthermore, density functional theory (DFT) calculation was also conducted to reveal the different acid-tolerances between the piperazine-based and MPD-based polyamide membranes. The easiest protonation was found to be the protonation of oxygen in piperazine-based monomer, and the N-protonation of the monomer had the lowest energy barrier in the rate determining step (RDS). The calculations were well compatible with the surface characterization results. In addition, the energy barrier in RDS is highly correlated with the twist angle (τD), which determines the delocalization of electrons between the carbonyl πCO bond and nitrogen lone pair, and the tendency of the twist angle was also maintained in longer molecules (dimer and trimer). This study clearly explained why the semi-aromatic membrane (NE40/70) is chemically less stable than the aromatic membrane (NE90) given the surface characterizations and DFT calculation results.

Prevalence and sunlight photolysis of controlled and chemotherapeutic drugs in aqueous environments

International Nuclear Information System (INIS)

Lin, Angela Yu-Chen; Lin, Yen-Ching; Lee, Wan-Ning

2014-01-01

This study addresses the occurrences and natural fates of chemotherapeutics and controlled drugs when found together in hospital effluents and surface waters. The results revealed the presence of 11 out of 16 drugs in hospital effluents, and the maximum detected concentrations were at the μg L −1 level in the hospital effluents and the ng L −1 level in surface waters. The highest concentrations corresponded to meperidine, morphine, 5-fluorouracil and cyclophosphamide. The sunlight photolysis of the target compounds was investigated, and the results indicated that morphine and codeine can be significantly attenuated, with half-lives of 0.27 and 2.5 h, respectively, in natural waters. Photolysis can lower the detected environmental concentrations, also lowering the estimated environmental risks of the target drugs to human health. Nevertheless, 5-fluorouracil and codeine were found to have a high risk quotient (RQ), demonstrating the high risks of directly releasing hospital wastewater into the environment. - Highlights: • High occurrence of chemotherapeutics and controlled substances in aqueous systems. • Photolysis lowers the detected concentrations of morphine and codeine. • 5-fluorouracil and codeine in hospital effluents have high risk quotients. - Chemotherapeutics and controlled drugs occur at significant levels in hospital effluents and surface waters. Natural sunlight photolysis reduces their environmental occurrence

An example of transition from a corrosion process in gaseous phase to corrosion in aqueous environment: the case of Z2CN18-10 stainless steel by iodine and water in vapour phase

International Nuclear Information System (INIS)

Mathieu, Bruno

1990-01-01

This research thesis addresses an example of transition of a corrosion process in gaseous phase towards corrosion in aqueous environment, specifically in the case of the corrosion of the Z2CN18-10 stainless steel by gaseous iodine in presence of water vapour (and possibly nitrogen dioxide). This transition occurs in two steps: initiation in gaseous phase and growth in aqueous environment. This transition is due to hygroscopic properties of mostly chromium iodides and, to a lesser extent, iron iodides. Morphological, electrochemical and thermogravimetry studies have been performed by varying different parameters governing corrosion processes: corrosion temperature, iodine concentration, relative humidity, and reaction time [fr

Application of a new adsorbent for fluoride removal from aqueous solutions

International Nuclear Information System (INIS)

Srivastav, Arun Lal; Singh, Prabhat K.; Srivastava, Varsha; Sharma, Yogesh C.

2013-01-01

Highlights: • A new adsorbent has been prepared. • The adsorbent is non-toxic and easy to synthesize. • HBO 1 has displayed best capacity for the removal of fluoride. • Unlike most adsorbents, HBO 1 is suitable for the removal of fluoride from water. • The process of removal has been optimized. -- Abstract: Hydrous bismuth oxides (HBOs) have been investigated as a possible adsorbent for fluoride removal from water. Apart from bismuth trioxide (Bi 2 O 3 ) compound, three additional HBOs, named as HBO 1 , HBO 2 , and HBO 3 were synthesized in the laboratory and examined for their relative potentials for fluoride removal from aqueous solutions. HBO 1 was observed to have highest fluoride removal at 10 mg/L initial concentration in aqueous environment. Among competitive anions, sulfate and chloride affect the fluoride removal by HBO 1 more adversely than bicarbonate. Characterization of HBOs using X-ray diffraction (XRD) pattern analyses indicated crystalline structures, and the broad chemical composition of materials showed successive increase of Bi(OH) 3 from HBO 1 to HBO 3 , with decrease of BiOCl in the same order. Fourier Transform Infrared (FTIR) spectroscopy analyses indicated presence of Bi-O bond and successively increasing number of peaks corresponding to OH ion from HBO 1 to HBO 3 . Scanning Electron Microscopic (SEM) images of HBOs show rough and porous structure of the materials. Presence of higher proportion of chloride compound in HBO 1 with respect to others appears to be the factor responsible for its better performance in fluoride removal from aqueous solutions

Electrochemical, Chemical and Enzymatic Oxidations of Phenothiazines

NARCIS (Netherlands)

Blankert, B.; Hayen, H.; van Leeuwen, S.M.; Karst, U.; Bodoki, E.; Lotrean, S.; Sandulescu, R.; Mora Diaz, N.; Dominguez, O.; Arcos, J.; Kauffmann, J.-M.

2005-01-01

The oxidation of several phenothiazine drugs (phenothiazine, promethazine hydrochloride, promazine hydrochloride, trimeprazine hydrochloride and ethopropazine hydrochloride) has been carried out in aqueous acidic media by electrochemical, chemical and enzymatic methods. The chemical oxidation was

Chemical behaviour of transuranic elements in the natural environment

International Nuclear Information System (INIS)

Kim, J.I.

1991-01-01

The chemical behaviour of transuranic elements in natural aquifer systems is governed by a variety of geochemical reactions, such as dissolution reaction (solubility), hydrolysis, complexation with inorganics or organics, redox reaction, colloid formation, geochemical interaction with surfaces of various minerals, coprecipitation, mineralisation etc. This paper reviews the present state of knowledge on some of these particular reactions. The emphasis is placed on how the individual reactions can be appraised for the long-term prediction of the geochemical behaviour of transuranic elements in the natural environment. Of the various reactions, the primary thermodynamic processes of dissolution of transuranic compounds in aquatic solution, complexation with important anions present in groundwater and colloid generation are discussed with notable examples. Various laser spectroscopy in use for the chemical speciation are mentioned briefly as for their spectroscopic capability as well as applicability. The present review discussion is primarily directed to a better understanding of the migration behaviour of transuranic elements in natural aquifer systems. (author) 100 refs

Photochemical reaction between triclosan and nitrous acid in the atmospheric aqueous environment

Science.gov (United States)

Ma, Jianzhong; Zhu, Chengzhu; Lu, Jun; Lei, Yu; Wang, Jizhong; Chen, Tianhu

2017-05-01

Nitrous acid (HONO) is an important tropospheric pollutant and a major source of hydroxyl radical in the atmospheric gas phase. However, studies on the role of HONO in atmospheric aqueous phase chemistry processes are relatively few. The present work investigated the photochemical reaction of HONO with triclosan (TCS), which is an emerging contaminant, using a combination of laser flash photolysis spectrometry and gas chromatography mass spectrometry. With these techniques, the reaction pathway of HONO with TCS was proposed by directly monitoring the transient species and detecting the stable products. ·OH was generated from the photodissociation of the HONO aqueous solution and attacked TCS molecules on different sites to produce the TCS-OH adducts with a second-order rate constant of 1.11 × 109 L mol-1 s-1. The ·OH added a C atom adjacent to the ether bond in the aromatic ring of TCS and self-decayed when the ether bond broke. The intermediates generated from the addition of ·OH to the benzene ring of the TCS molecular structure were immediately nitrated by HONO, which played a key role in the formation process of nitrocompounds. An atmospheric model suggests that the aqueous oxidation of TCS by ·OH is a major reaction at high liquid water concentrations, and the photolysis of TCS dominates under low-humidity conditions.

Biosorptive removal of cobalt (II) ions from aqueous solution by ...

African Journals Online (AJOL)

hope&shola

2010-11-29

Nov 29, 2010 ... chemical reaction, decay, adsorption and biodegradation. The presence of ... sted coffee (Dakiky et al., 2002), waste tea (Ahluwalia and Goyal, 2005) ..... green removal from aqueous solution by citric acid modified rice straw.

Radioactive and hazardous chemical wastes. Impact on man and his environment

International Nuclear Information System (INIS)

Parker, F.L.; Suess, M.J.

1984-01-01

The main objective of the various safety measures in all fields of human activities is to prevent deleterious effects of various agents on human health. Preventive health and safety measures therefore play an important role in achieving the main goal of the World Health Organization (WHO): 'Health for all by the year 2000'. The present WHO programme on environmental health emphasizes the prevention of chemical hazards as one of the most important environmental factors affecting human health. At the same time, protection from physical factors, including radiological protection, is part of this programme. Therefore, WHO compares health detriments from both physical and chemical agents. The paper describes the hazardous waste problems of great concern in industrialized countries. For instance, the Commission of the European Communities countries produce about 2x10 9 tonnes of waste per year, a rate which grows by 2 to 3% annually. This poses serious problems of pollution, particularly where the toxic ingredients do not decay. Special attention will also be given to the safe handling of high-level radioactive waste from the peaceful use of nuclear technology. These wastes have to be stored in safe storage facilities, or be disposed of without causing damage to man and his environment. The international measures to contain and control these wastes are described, including the activities of WHO within the Global Environmental Monitoring System and Regional Sea programmes of the United Nations Environment Programme. Guidelines and methodologies for the management of hazardous chemical and radioactive wastes are being developed through WHO to assist national authorities in this task. The paper pays special attention to a comparative assessment of environmental and public health impacts of toxic chemical and radioactive wastes. (author)

Partitioning of Trace Elements Between Hydrous Minerals and Aqueous Fluids : a Contribution to the Chemical Budget of Subduction Zones

Science.gov (United States)

Daniel, I.; Koga, K. T.; Reynard, B.; Petitgirard, S.; Chollet, M.; Simionovici, A.

2006-12-01

Subduction zones are powerful chemical engines where the downgoing lithosphere reacts with asthenospheric mantle and produces magmas. Understanding this deep recycling system is a scientific challenge requiring multiple approaches. Among those, it appears that we lack basic information on the composition of the fluid that begins the process of material transfer in subduction zones. Indeed, no pristine fluid sample has yet been collected from this particular environment. Albeit challenging, the alternative would be experimental study of fluids under the appropriate conditions. Consequently, we developed an experimental protocol to measure the concentration of aqueous fluids equilibrated with minerals up to pressures (P) of 5 GPa, at least and temperatures (T) of 550 C. This includes syntheses at high-P and -T conditions, and determination of the fluid composition. Syntheses were performed in a large volume belt-type press at the conditions, 2-5 GPa and ca. 550 C. Oxides or minerals were loaded with water in a gold capsule sealed afterwards. Presence of free fluid during experiments could be confirmed by direct observation of fluid release from the sealed capsule upon puncturing. The composition in trace elements of the fluids that were equilibrated at high-P and -T with minerals was reconstructed from that of the precipitates deposited at the surface of minerals after evaporation of the capsule. The precipitates were dissolved and analyzed by a leaching technique detailed in Koga et al. (2005). Two hydrous minerals of prime interest for subductions were sofar investigated: the high-pressure variety of serpentine, antigorite, and talc. The partitioning coefficients of a series of trace-elements will be presented, as well as their evolution as a function of pressure. Consequences for the composition of the fluids released during the dehydration of hydrous metamorphic minerals will be drawn. Those measurements are unlikely to be feasible at pressures in excess of 5 GPa

Fabrication of Lead-Free Bi0.5Na0.5TiO3 Thin Films by Aqueous Chemical Solution Deposition

Directory of Open Access Journals (Sweden)

Mads Christensen

2017-02-01

Full Text Available Piezoelectric ceramics are widely used in actuator applications, and currently the vast majority of these devices are based on Pb ( Zr , Ti O 3 , which constitutes environmental and health hazards due to the toxicity of lead. One of the most promising lead-free material systems for actuators is based on Bi 0 . 5 Na 0 . 5 TiO 3 (BNT, and here we report on successful fabrication of BNT thin films by aqueous chemical solution deposition. The precursor solution used in the synthesis is based on bismuth citrate stabilized by ethanolamine, NaOH , and a Ti-citrate prepared from titanium tetraisopropoxide and citric acid. BNT thin films were deposited on SrTiO 3 and platinized silicon substrates by spin-coating, and the films were pyrolized and annealed by rapid thermal processing. The BNT perovskite phase formed after calcination at 500 °C in air. The deposited thin films were single phase according to X-ray diffraction, and the microstructures of the films shown by electron microscopy were homogeneous and dense. Decomposition of the gel was thoroughly investigated, and the conditions resulting in phase pure materials were identified. This new aqueous deposition route is low cost, robust, and suitable for development of BNT based thin film for actuator applications.

Chemical shifts of oxygen-17 NMR in polyoxotungstates

International Nuclear Information System (INIS)

Kazanskij, L.P.; Fedotov, M.A.; Spitsyn, V.I.

1977-01-01

17 O NMR spectra of aqueous solutions containing paratungstate BH 2 W 12 O 42 10- and metatungstate H 2 W 12 O 40 6- anions have been measured. On the basis of the obtained data a scale of chemical shifts for oxygen atoms connected by various bonds with tungsten atoms is suggested. The obtained data are compared with the Raman spectra of crystalline salts and their aqueous solutions. Chemical shifts of 17 O NMR spectra have been also measured in other heteropolyanions

Quantitative Method for the Detection of Triethyl Phosphate in Aqueous Solutions

National Research Council Canada - National Science Library

Bagalawis, Rosa

2003-01-01

...) at the parts per million level in aqueous solution. TEP was used as a chemical agent simulant to evaluate the penetration characteristics of clothing, gloves, boots and items of personal equipment...

NMR chemical shifts in amino acids: Effects of environments, electric field, and amine group rotation

International Nuclear Information System (INIS)

Yoon, Young-Gui; Pfrommer, Bernd G.; Louie, Steven G.; Canning, Andrew

2002-01-01

The authors present calculations of NMR chemical shifts in crystalline phases of some representative amino acids such as glycine, alanine, and alanyl-alanine. To get an insight on how different environments affect the chemical shifts, they study the transition from the crystalline phase to completely isolated molecules of glycine. In the crystalline limit, the shifts are dominated by intermolecular hydrogen-bonds. In the molecular limit, however, dipole electric field effects dominate the behavior of the chemical shifts. They show that it is necessary to average the chemical shifts in glycine over geometries. Tensor components are analyzed to get the angle dependent proton chemical shifts, which is a more refined characterization method

Relation Between the Adsorbed Quantity and the Immersion Enthalpy in Catechol Aqueous Solutions on Activated Carbons

OpenAIRE

Moreno-Piraj?n, Juan Carlos; Blanco, Diego; Giraldo, Liliana

2011-01-01

An activated carbon, CarbochemTM—PS230, was modified by chemical and thermal treatment in flow of H2, in order to evaluate the influence of the activated carbon chemical characteristics in the adsorption of the catechol. The catechol adsorption in aqueous solution was studied along with the effect of the pH solution in the adsorption process of modified activated carbons and the variation of immersion enthalpy of activated carbons in the aqueous solutions of catechol. The interaction solid-so...

A model for radiolysis of water and aqueous solutions of H2, H2O2 and O2

International Nuclear Information System (INIS)

Ershov, B.G.; Gordeev, A.V.

2008-01-01

Kinetic model for the radiolysis of pure water describing the formation of H 2 , H 2 O 2 and O 2 and the radiation chemical transformations of aqueous solutions containing these compounds over a broad range of concentrations, pH, absorbed doses and dose rates is proposed and substantiated. The model includes a set of chemical reactions with optimized rate constants and the radiation chemical yields of radiolysis products. The model applicability to the description of the whole set of data on the radiation chemical transformations of water and aqueous solutions of H 2 , H 2 O 2 and O 2 is demonstrated

Molecular dynamics simulations of solutions at constant chemical potential

Science.gov (United States)

Perego, C.; Salvalaglio, M.; Parrinello, M.

2015-04-01

Molecular dynamics studies of chemical processes in solution are of great value in a wide spectrum of applications, which range from nano-technology to pharmaceutical chemistry. However, these calculations are affected by severe finite-size effects, such as the solution being depleted as the chemical process proceeds, which influence the outcome of the simulations. To overcome these limitations, one must allow the system to exchange molecules with a macroscopic reservoir, thus sampling a grand-canonical ensemble. Despite the fact that different remedies have been proposed, this still represents a key challenge in molecular simulations. In the present work, we propose the Constant Chemical Potential Molecular Dynamics (CμMD) method, which introduces an external force that controls the environment of the chemical process of interest. This external force, drawing molecules from a finite reservoir, maintains the chemical potential constant in the region where the process takes place. We have applied the CμMD method to the paradigmatic case of urea crystallization in aqueous solution. As a result, we have been able to study crystal growth dynamics under constant supersaturation conditions and to extract growth rates and free-energy barriers.

Chemical effects of ionizing radiation and sonic energy in the context of chemical evolution

International Nuclear Information System (INIS)

Negron Mendoza, A.; Albarran, G.

1992-01-01

Ionizing radiation and sonic energy are considered as sources for chemical evolution processes. These sources have still a modest place in the interdisciplinary approach for the prebiological synthesis of organic compounds. Studies in Radiation Chemistry and Sonochemistry can provide a deeper insight into the chemical processes that may have importance for prebiotic chemistry. The present work concerns the analysis of some chemical reactions induced by ionizing radiation or cavitation in aqueous media that may be relevant to chemical evolution studies. (author)

Selective hydrolysis of phosphate monoester by a supramolecular phosphatase formed by the self-assembly of a bis(Zn(2+)-cyclen) complex, cyanuric acid, and copper in an aqueous solution (cyclen = 1,4,7,10-tetraazacyclododecane).

Science.gov (United States)

Zulkefeli, Mohd; Suzuki, Asami; Shiro, Motoo; Hisamatsu, Yosuke; Kimura, Eiichi; Aoki, Shin

2011-10-17

In Nature, organized nanoscale structures such as proteins and enzymes are formed in aqueous media via intermolecular interactions between multicomponents. Supramolecular and self-assembling strategies provide versatile methods for the construction of artificial chemical architectures for controlling reaction rates and the specificities of chemical reactions, but most are designed in hydrophobic environments. The preparation of artificial catalysts that have potential in aqueous media mimicking natural enzymes such as hydrolases remains a great challenge in the fields of supramolecular chemistry. Herein, we describe that a dimeric Zn(2+) complex having a 2,2'-bipyridyl linker, cyanuric acid, and a Cu(2+) ion automatically assembles in an aqueous solution to form a 4:4:4 complex, which is stabilized by metal-ligand coordination bonds, π-π-stacking interactions, and hydrogen bonding and contains μ-Cu(2)(OH)(2) cores analogous to the catalytic centers of phosphatase, a dinuclear metalloenzyme. The 4:4:4 complex selectively accelerates the hydrolysis of a phosphate monoester, mono(4-nitrophenyl)phosphate, at neutral pH.

Chemical speciation of long-lived radionuclides in the environment

International Nuclear Information System (INIS)

Xiaolin Hou

2008-11-01

This project started in November 2005 and ended in November 2008, the work and research approaches are summarized in this report. This project studied the speciation of radionuclides in environment. A number of speciation analytical methods are developed for determination of species of 129 I, 99 Tc, isotopes of Pu, and 237 Np in seawater, fresh water, soil, sediment, vegetations, and concrete. The developed methods are used for the investigation of the chemical speciation of these radionuclides as well as their environmental behaviours, especially in Danish environment. In addition the speciation of Pu isotopes in waste samples from the decommissioning of Danish nuclear facilities is also investigated. The report summarizes these works completed in this project. Through this research project, a number of research papers have been published in the scientific journals, the research results has also been presented in the Nordic and international conference/meeting and communicated to international colleagues. Some publications are also enclosed to this report. (au)

The use of new, aqueous chemical wood modifications to improve the durability of wood-plastic composites

Science.gov (United States)

Rebecca E. Ibach; Craig M. Clemons; George C. Chen

2017-01-01

The wood flour used in wood-plastic composites (WPCs) can biologically deteriorate and thus the overall mechanical performance of WPCs decrease when exposed to moisture and fungal decay. Protecting the wood flour by chemical modification can improve the durability of the wood in a nontoxic way so it is not harmful to the environment. WPCs were made with modified wood...

Mixed waste chemical compatibility with packaging components

International Nuclear Information System (INIS)

Nigrey, P.J.; Conroy, M.; Blalock, L.B.

1994-01-01

In this paper, a chemical compatibility testing program for packaging of mixed wastes at will be described. We will discuss the choice of four y-radiation doses, four time durations, four temperatures and four waste solutions to simulate the hazardous waste components of mixed wastes for testing materials compatibility of polymers. The selected simulant wastes are (1) an aqueous alkaline mixture of sodium nitrate and sodium nitrite; (2) a chlorinated hydrocarbon mixture; (3) a simulant liquid scintillation fluid; and (4) a mixture of ketones. A selection of 10 polymers with anticipated high resistance to one or more of these types of environments are proposed for testing as potential liner or seal materials. These polymers are butadiene acrylonitrile copolymer, cross-linked polyethylene, epichlorhyarin, ethylene-propylene rubber, fluorocarbon, glass-filled tetrafluoroethylene, high-density poly-ethylene, isobutylene-isoprene copolymer, polypropylene, and styrene-butadiene rubber. We will describe the elements of the testing plan along with a metric for establishing time resistance of the packaging materials to radiation and chemicals

Microwave Assisted Organic Synthesis of Heterocycles in Aqueous Media: Recent Advances in Medicinal Chemistry.

Science.gov (United States)

Frecentese, Francesco; Saccone, Irene; Caliendo, Giuseppe; Corvino, Angela; Fiorino, Ferdinando; Magli, Elisa; Perissutti, Elisa; Severino, Beatrice; Santagada, Vincenzo

2016-01-01

Green chemistry is a discipline of great interest in medicinal chemistry. It involves all fields of chemistry and it is based on the principle to conduct chemical reactions protecting the environment at the same time, through the use of chemical procedures able to avoid pollution. In this context, water as solvent is a good choice because it is abundant, nontoxic, non-caustic, and non-combustible. Even if microwave assisted organic reactions in conventional solvents have quickly progressed, in the recent years medicinal chemists have focused their attention to processes deemed not dangerous for the environment, using nanotechnology and greener solvents as water. Several reports of reaction optimizations and selectivities, demonstrating the capability of microwave to allow the obtaining of increased yields have been recently published using water as solvent. In this review, we selected the available knowledge related to microwave assisted organic synthesis in aqueous medium, furnishing examples of the newest strategies to obtain useful scaffolds and novel derivatives for medicinal chemistry purposes. The intention of this review is to demonstrate the exclusive ability of MAOS in water as solvent or as co-solvent. For this purpose we report here the most representative applications of MAOS using water as solvent, focusing on medicinal chemistry processes leading to interesting nitrogen containing heterocycles with potential pharmaceutical applications.

Observation of electron-transfer-mediated decay in aqueous solution

Science.gov (United States)

Unger, Isaak; Seidel, Robert; Thürmer, Stephan; Pohl, Marvin N.; Aziz, Emad F.; Cederbaum, Lorenz S.; Muchová, Eva; Slavíček, Petr; Winter, Bernd; Kryzhevoi, Nikolai V.

2017-07-01

Photoionization is at the heart of X-ray photoelectron spectroscopy (XPS), which gives access to important information on a sample's local chemical environment. Local and non-local electronic decay after photoionization—in which the refilling of core holes results in electron emission from either the initially ionized species or a neighbour, respectively—have been well studied. However, electron-transfer-mediated decay (ETMD), which involves the refilling of a core hole by an electron from a neighbouring species, has not yet been observed in condensed phase. Here we report the experimental observation of ETMD in an aqueous LiCl solution by detecting characteristic secondary low-energy electrons using liquid-microjet soft XPS. Experimental results are interpreted using molecular dynamics and high-level ab initio calculations. We show that both solvent molecules and counterions participate in the ETMD processes, and different ion associations have distinctive spectral fingerprints. Furthermore, ETMD spectra are sensitive to coordination numbers, ion-solvent distances and solvent arrangement.

Aqueous foam toxicology evaluation and hazard review

Energy Technology Data Exchange (ETDEWEB)

Archuleta, M.M.

1995-10-01

Aqueous foams are aggregates of bubbles mechanically generated by passing air or other gases through a net, screen, or other porous medium that is wetted by an aqueous solution of surface-active foaming agents (surfactants). Aqueous foams are important in modem fire-fighting technology, as well as for military uses for area denial and riot or crowd control. An aqueous foam is currently being developed and evaluated by Sandia National Laboratories (SNL) as a Less-Than-Lethal Weapon for the National Institute of Justice (NIJ). The purpose of this study is to evaluate the toxicity of the aqueous foam developed for the NIJ and to determine whether there are any significant adverse health effects associated with completely immersing individuals without protective equipment in the foam. The toxicity of the aqueous foam formulation developed for NIJ is determined by evaluating the toxicity of the individual components of the foam. The foam is made from a 2--5% solution of Steol CA-330 surfactant in water generated at expansion ratios ranging from 500:1 to 1000:1. SteoI CA-330 is a 35% ammonium laureth sulfate in water and is produced by Stepan Chemical Company and containing trace amounts (<0.1%) of 1,4-dioxane. The results of this study indicate that Steol CA-330 is a non-toxic, mildly irritating, surfactant that is used extensively in the cosmetics industry for hair care and bath products. Inhalation or dermal exposure to this material in aqueous foam is not expected to produce significant irritation or systemic toxicity to exposed individuals, even after prolonged exposure. The amount of 1,4-dioxane in the surfactant, and subsequently in the foam, is negligible and therefore, the toxicity associated with dioxane exposure is not significant. In general, immersion in similar aqueous foams has not resulted in acute, immediately life-threatening effects, or chronic, long-term, non-reversible effects following exposure.

Irradiation route to aqueous synthesis of highly luminescent ZnSe quantum dots and its function as a copper ion fluorescence sensor

Energy Technology Data Exchange (ETDEWEB)

Rao, Yeluri Narayana; Datta, Aparna [UGC-DAE Consortium for Scientific Research, Kolkata Centre, III/LB-8 Bidhannagar, Kolkata 700 098 (India); Das, Satyendra K. [Radiochemistry Division, Variable Energy Cyclotron Centre, 1/AF Bidhannagar, Kolkata 700 064 (India); Saha, Abhijit, E-mail: abhijit@alpha.iuc.res.in [UGC-DAE Consortium for Scientific Research, Kolkata Centre, III/LB-8 Bidhannagar, Kolkata 700 098 (India)

2016-08-15

Highlights: • Radiation chemical technique can provide a useful route for synthesis of ZnSe QDs. • Chelating nature of ethylene diamine is exploited for capping nanoparticles. • ZnSe QDs can be a suitable sensitive alternative to toxic cadmium-based system. • Cu(II) ion is probed by QDs in the presence of other physiologically relevant ions. - Abstract: Size-controlled synthesis of stable ZnSe QDs with narrow distribution in aqueous environment through conventional soft chemical method still poses a challenge. The proposed radiation assisted strategy demonstrates aqueous synthesis of stable, monodisperse and luminescent ZnSe QDs capped with chelating ethylene diamine under ambient conditions and at room temperature. Radiation chemical method facilitates in slow and in-situ release of selenium ion from sodium selenosulfate. The concentrations of precursors, such as zinc salt, selenium source, ethylene diamine and absorbed radiation (7–90 kGy) dose were optimized for obtaining good quality particles. Selective quenching of luminescence of as-synthesized quantum dots (QDs) by Cu{sup 2+} ions vis-à-vis other physiologically important cations provide evidence for use of ZnSe quantum dots as alternative to toxic Cd-based quantum dots to probe Cu{sup 2+} ions. The linear relation of ratio of loss in emission intensity as a function of concentration of Cu(II) indicates detection limit in nano-molar range.

Impact of oil and related chemicals on the marine environment

International Nuclear Information System (INIS)

1993-01-01

This review updates a previous review entitled ''Impact of Oil on the Marine Environment''. It covers oil and individual hydrocarbons, used lubricating oils, chemical control agents for oil spills, and wastes from offshore petroleum operations. It considers all major knowledge generated since the mid-1970s. The review covers its topics comprehensively, from a consideration of the composition, sources and inputs of oil to its ecological and human health effects and its effects on man's use of the sea. The review addresses several key questions on the present levels of contamination, the impact of hydrocarbons and related chemicals on marine biota, the recovery potential of marine ecosystems exposed to these contaminants, the degree of protection required for marine ecosystems known to be vulnerable and sensitive, and recommended research and other actions to fill gaps in knowledge. The review describes the hazards of marine oil pollution and associated chemicals and wastes as they are understood currently, and clarifies the importance of reducing oil inputs in coastal and offshore waters. It assists in considering fundamental questions, asked by the public and decision-makers alike, such as: how much oil is entering our oceans, and how much harm is it doing? (author)

Speciation analysis on Eu(3) in aqueous solution using laser-induced breakdown spectroscopy

International Nuclear Information System (INIS)

Hotokezaka, H.; Tanaka, S.; Nagasaki, S.

2001-01-01

Investigation of the chemical behaviour of lanthanides and actinides in the geosphere is important for the safety assessment of high-level radioactive waste disposal. However, determination of speciation for lanthanides and actinides is difficult, because it is too hard to distinguish between metal ion and colloidal metal in aqueous solution. Laser-induced breakdown spectroscopy (LIBS) can detect both ions and microparticles of metals in aqueous solution, especially, high sensitive to microparticles. In this study, we analysed Eu(III) ion and Eu 2 O 3 particle in aqueous solution by LIBS, and measured the hydrolysis behaviour of Eu(III) in aqueous solution. Furthermore, we tried to detect the plasma emission of Eu(III) ions sorbed on TiO 2 particles, and also tried to observe the adsorption behaviour of Eu(III) ions onto TiO 2 particles in aqueous solution. (authors)

Mapping the membrane-aqueous border for the voltage-sensing domain of a potassium channel.

Science.gov (United States)

Neale, Edward J; Rong, Honglin; Cockcroft, Christopher J; Sivaprasadarao, Asipu

2007-12-28

Voltage-sensing domains (VSDs) play diverse roles in biology. As integral components, they can detect changes in the membrane potential of a cell and couple these changes to activity of ion channels and enzymes. As independent proteins, homologues of the VSD can function as voltage-dependent proton channels. To sense voltage changes, the positively charged fourth transmembrane segment, S4, must move across the energetically unfavorable hydrophobic core of the bilayer, which presents a barrier to movement of both charged species and protons. To reduce the barrier to S4 movement, it has been suggested that aqueous crevices may penetrate the protein, reducing the extent of total movement. To investigate this hypothesis in a system containing fully functional channels in a native environment with an intact membrane potential, we have determined the contour of the membrane-aqueous border of the VSD of KvAP in Escherichia coli by examining the chemical accessibility of introduced cysteines. The results revealed the contour of the membrane-aqueous border of the VSD in its activated conformation. The water-inaccessible regions of S1 and S2 correspond to the standard width of the membrane bilayer (~28 A), but those of S3 and S4 are considerably shorter (> or = 40%), consistent with aqueous crevices pervading both the extracellular and intracellular ends. One face of S3b and the entire S3a were water-accessible, reducing the water-inaccessible region of S3 to just 10 residues, significantly shorter than for S4. The results suggest a key role for S3 in reducing the distance S4 needs to move to elicit gating.

Interlaboratory validation of 1% pluronic l92 surfactant as a suitable, aqueous vehicle for testing pesticide formulations using the murine local lymph node assay.

Science.gov (United States)

Boverhof, Darrell R; Wiescinski, Connie M; Botham, Phil; Lees, David; Debruyne, Eric; Repetto-Larsay, Marina; Ladics, Gregory; Hoban, Denise; Gamer, Armin; Remmele, Marina; Wang-Fan, Weizheng; Ullmann, Ludwig G; Mehta, Jyotigna; Billington, Richard; Woolhiser, Michael R

2008-09-01

The mouse local lymph node assay (LLNA) has become the preferred test for evaluating the dermal sensitization potential of chemicals and requirements are now emerging for its use in the evaluation of their formulated products, especially in the European Union. However, despite its widespread use and extensive validation, the use of this assay for directly testing mixtures and formulated products has been questioned, which could lead to repeat testing using multiple animal models. As pesticide formulations are typically a specific complex blend of chemicals for use as aqueous-based dilutions, traditional vehicles prescribed for the LLNA may change the properties of these formulations leading to inaccurate test results and hazard identification. The objective of this study was to evaluate the effectiveness of an aqueous solution of Pluronic L92 block copolymer surfactant (L92) as a vehicle in the mouse LLNA across five laboratories. Three chemicals with known sensitization potential and four pesticide formulations for which the sensitization potential in guinea pigs and/or humans had previously been assessed were used. Identical LLNA protocols and test materials were used in the evaluation. Assessment of the positive control chemicals, hexylcinnamaldehyde, formaldehyde, and potassium dichromate revealed positive results when using 1% aqueous L92 as the vehicle. Furthermore, results for these chemicals were reproducible among the five laboratories and demonstrated consistent relative potency determinations. The four pesticide formulations diluted in 1% aqueous L92 also demonstrated reproducible results in the LLNA among the five laboratories. Results for these test materials were also consistent with those generated previously using guinea pigs or from human experience. These data support testing aqueous compatible chemicals or pesticide formulations using the mouse LLNA, and provide additional support for the use of 1% aqueous L92 as a suitable, aqueous-based vehicle.

Pattern recognition and data mining software based on artificial neural networks applied to proton transfer in aqueous environments

International Nuclear Information System (INIS)

Tahat Amani; Marti Jordi; Khwaldeh Ali; Tahat Kaher

2014-01-01

In computational physics proton transfer phenomena could be viewed as pattern classification problems based on a set of input features allowing classification of the proton motion into two categories: transfer ‘occurred’ and transfer ‘not occurred’. The goal of this paper is to evaluate the use of artificial neural networks in the classification of proton transfer events, based on the feed-forward back propagation neural network, used as a classifier to distinguish between the two transfer cases. In this paper, we use a new developed data mining and pattern recognition tool for automating, controlling, and drawing charts of the output data of an Empirical Valence Bond existing code. The study analyzes the need for pattern recognition in aqueous proton transfer processes and how the learning approach in error back propagation (multilayer perceptron algorithms) could be satisfactorily employed in the present case. We present a tool for pattern recognition and validate the code including a real physical case study. The results of applying the artificial neural networks methodology to crowd patterns based upon selected physical properties (e.g., temperature, density) show the abilities of the network to learn proton transfer patterns corresponding to properties of the aqueous environments, which is in turn proved to be fully compatible with previous proton transfer studies. (condensed matter: structural, mechanical, and thermal properties)

Control of temperature and aqueous Mg2+/Ca2+ ratio on the (trans-)formation of ikaite

Science.gov (United States)

Purgstaller, B.; Dietzel, M.; Baldermann, A.; Mavromatis, V.

2017-11-01

The calcium carbonate hexahydrate mineral ikaite (CaCO3 ṡ 6 H2O) has been documented in aquatic environments at near-freezing temperatures. An increase of the prevailing temperature in the depositional environment, results in the transformation of natural ikaite into less soluble calcium carbonate phases occasionally leaving calcite pseudomorphs in the sediments, which are considered as an indicator for primary cold water temperatures. Detailed understanding on the physicochemical parameters controlling ikaite (trans-)formation however, such as temperature and reactive solution chemical composition, are still under debate. In order to study the formation of ikaite, we conducted precipitation experiments under controlled physicochemical conditions (pH = 8.3 ± 0.1; T = 6, 12, and 18 ± 0.1 °C) at defined aqueous molar Mg/Ca ratios. The transformation of ikaite into anhydrous calcium carbonate polymorphs was investigated in solution and at air exposure. The obtained results reveal the formation of ikaite at temperatures up to 12 °C, whereas Mg-rich amorphous calcium carbonate precipitated at 18 °C. In contact with the reactive solution ikaite transformed into aragonite at aqueous molar Mg2+/Ca2+ ratios of ≥14. In contrast, ikaite separated from the Mg-rich solution and exposed to air transformed in all cases into calcite/vaterite. The herein obtained temperature limit of ≤12 for ikaite formation is significantly higher than formerly expected and most probably caused by (i) the high saturation degree of the solution with respect to ikaite and (ii) the slow dehydration of the aqueous Ca2+ ion at low temperatures. This result questions the suitability of calcite pseudomorphs (i.e. glendonites) as a proxy for near-freezing temperatures. Moreover, our findings show that the CaCO3 polymorph formed from ikaite is strongly controlled by the physicochemical conditions, such as aqueous molar Mg2+/Ca2+ ratio of the reactive fluid and H2O availability throughout the

Acute and Sub-acute Toxicity Profile of Aqueous Leaf Extract of ...

African Journals Online (AJOL)

information on the safety/toxicity of the aqueous extract of Nymphaea .... automatic chemistry analyzer (Abaxis Inc. Union. City, CA .... play central role in gaseous exchange and inter- compartmental .... OECD guidelines for testing of chemicals ...

Chemical thermodynamics of uranium

International Nuclear Information System (INIS)

Grenthe, I.; Fuger, J.; Lemire, R.J.; Muller, A.B.; Nguyen-Trung Cregu, C.; Wanner, H.

1992-01-01

A comprehensive overview on the chemical thermodynamics of those elements that are of particular importance in the safety assessment of radioactive waste disposal systems is provided. This is the first volume in a series of critical reviews to be published on this subject. The book provides an extensive compilation of chemical thermodynamic data for uranium. A description of procedures for activity corrections and uncertainty estimates is given. A critical discussion of data needed for nuclear waste management assessments, including areas where significant gaps of knowledge exist is presented. A detailed inventory of chemical thermodynamic data for inorganic compounds and complexes of uranium is listed. Data and their uncertainty limits are recommended for 74 aqueous complexes and 199 solid and 31 gaseous compounds containing uranium, and on 52 aqueous and 17 solid auxiliary species containing no uranium. The data are internally consistent and compatible with the CODATA Key Values. The book contains a detailed discussion of procedures used for activity factor corrections in aqueous solution, as well as including methods for making uncertainty estimates. The recommended data have been prepared for use in environmental geochemistry. Containing contributions written by experts the chapters cover various subject areas such a s: oxide and hydroxide compounds and complexes, the uranium nitrides, the solid uranium nitrates and the arsenic-containing uranium compounds, uranates, procedures for consistent estimation of entropies, gaseous and solid uranium halides, gaseous uranium oxides, solid phosphorous-containing uranium compounds, alkali metal uranates, uncertainties, standards and conventions, aqueous complexes, uranium minerals dealing with solubility products and ionic strength corrections. The book is intended for nuclear research establishments and consulting firms dealing with uranium mining and nuclear waste disposal, as well as academic and research institutes

Food and soil-borne Penicillia in Arctic environments: Chemical diversity

DEFF Research Database (Denmark)

Frisvad, Jens Christian

Penicillia are very common inhabitants of cold environments, including arctic soil, plants, animals, and foods. We have investigated the mycobiota of Greenland inland ice and soil, and found a very unique and pronounced diversity among the Penicillia. Nearly all species were new to science....... The species found in inland ice were both of the soil-borne type, and Penicillia that grow and sporulate well at 25°C. The latter group of Penicillia have been found earlier in refrigerated foods, including P. nordicum, and in glacier ice and melting water from Svalbard (se Sonjak et al., this conference......). This “food-borne group” of arctic fungi also contained some new species, but not as many as in arctic soil. The chemical diversity of the Penicillium species was remarkably high and in most cases even larger than the chemical diversity of Penicillia in the tropics. Several new secondary metabolites were...

Humic Acid Degradation via Solar Photo-Fenton Process in Aqueous Environment

Directory of Open Access Journals (Sweden)

Seyed Ali Sajjadi

2015-08-01

Full Text Available Control of mutagenic and carcinogenic disinfection by-products, particularly Trihalomethanes (THMs and Halo Acetic Acids (HAAs in water treatment process is critical, due to their adverse effects on human health. Generally, reducing the toxicity of these by-products hinges on prior removal of the precursor materials, such as Humic Acid (HA in drinking water. This study was conducted to investigate the role of some parameters that could affect the removal of HA, including HA (5 and 10 ppm and H2O2 (20, 40, 60, and 80 ppm initial concentrations, Iron (II, sulfate heptahydrate dosage (4, 8, 12, and 16 ppm, pH (2, 3, 4 and 5, Oxidation time (5, 10, 15 and 30 min, and Sunlight levels (322±13 kWm-2. To accelerate the process of HA removal, the Solar Photo-Fenton (SPF process was employed by direct irradiation of converged sunlight in a Parabolic Trough Collectors (PTC, with 3m2 effective area. HA levels were measured via quantifying Dissolved Organic Carbon (DOC concentrations by means of a TOC Analyzer method. The results showed that the SPF process is under control of the Fe & H2O2 ratio, the Fe2+ dosage and especially the pH quantity. In optimal condition, (pH: 4, oxidation time: 30min, initial HA levels: 50 ppm, H2O2 concentrations: 20 ppm Fe+2 levels: 4 ppm, the study found more than 98% DOC removal. In conclusion, the SPF, as an economically effective technique, could be applied for the removal of HA in aqueous environments.

Status of determining transuranic nuclides speciation in aqueous solution with laser spectrometry

International Nuclear Information System (INIS)

Wang Bo; Liu Dejun; Yao Jun; Chen Xi; Long Haoqi; Zeng Jishu; Su Xiguang; Fan Xianhua

2007-01-01

The knowledge about speciation of transuranic nuclides in aqueous solution is a basis for understanding the chemical and migration behavior of transuranic nuclides in aqueous solution. The speciation of transuranic nuclides with trace concentration is complicated in near neutral aqueous solutions, including change of oxidation state, complexation and colloid generation, etc. The concentrations of transuranium in near neutral aqueous solution usually below the sensitivity range of method such as conventional absorption spectroscopy. The radioactive analysis method has a very low detection limits for radionuclides, however, it wouldn' t allow the direct measurement of the transuranic species. In contrast with these methods, laser spectroscopy is an ideal method with high sensitivity, and non-contact and non-destructive for determining the speciation of transuranic nuclides. This paper summarizes the status and application of LIPAS (Laser-induced Photoacoustic Spectrometry), LIBD (Laser-induced Breakdown Detection) and TRLFS (Time-resolved Laser Fluorescence Spectrometry) to determine the speciation of transuranic nuclides with trace concentration in aqueous solutions. (authors)

Critical review of the chemistry and thermodynamics of technetium and some of its inorganic compounds and aqueous species

International Nuclear Information System (INIS)

Rard, J.A.

1983-01-01

Chemical and thermodynamic data for Technetium (Tc) and some of its inorganic compounds and aqueous species are reviewed here. Major emphasis is given to systems with potential geochemical applications, especially the geochemistry of radioactive waste disposal. Compounds considered include oxides, hydroxides, hydrates oxides, halides, oxyhalides, double halides, and sulfides. The aqueous species considered include those in both noncomplexing media (pertechnetates, technetates, aquo-ions, and hydrolyzed cations) and complexing media (halides, sulfates, and phosphates). Thermodynamic values are recommended for specific compounds and aqueous ions when reliable experimental data are available. Where thermodynamic data are inadequate or unavailable, the chemistry is still discussed to provide information about what needs to be measured, and which chemistry needs to be clarified. A major application of these thermodynamic data will be for chemical equilibrium modeling and for construction of potential-pH diagrams for aqueous solutions. Unfortunately, the present lack of data precludes such calculations for complexing aqueous media. The situation is much better for noncomplexing aqueous media, but the chemistry and thermodynamics of cationic Tc(V) species and hydrolyzed Tc(III) species are poorly understood. 240 references, 6 tables

Physical property parameter set for modeling ICPP aqueous wastes with ASPEN electrolyte NRTL model

International Nuclear Information System (INIS)

Schindler, R.E.

1996-09-01

The aqueous waste evaporators at the Idaho Chemical Processing Plant (ICPP) are being modeled using ASPEN software. The ASPEN software calculates chemical and vapor-liquid equilibria with activity coefficients calculated using the electrolyte Non-Random Two Liquid (NRTL) model for local excess Gibbs free energies of interactions between ions and molecules in solution. The use of the electrolyte NRTL model requires the determination of empirical parameters for the excess Gibbs free energies of the interactions between species in solution. This report covers the development of a set parameters, from literature data, for the use of the electrolyte NRTL model with the major solutes in the ICPP aqueous wastes

Chemical modeling of irreversible reactions in nuclear waste-water-rock systems

International Nuclear Information System (INIS)

Wolery, T.J.

1981-02-01

Chemical models of aqueous geochemical systems are usually built on the concept of thermodynamic equilibrium. Though many elementary reactions in a geochemical system may be close to equilibrium, others may not be. Chemical models of aqueous fluids should take into account that many aqueous redox reactions are among the latter. The behavior of redox reactions may critically affect migration of certain radionuclides, especially the actinides. In addition, the progress of reaction in geochemical systems requires thermodynamic driving forces associated with elementary reactions not at equilibrium, which are termed irreversible reactions. Both static chemical models of fluids and dynamic models of reacting systems have been applied to a wide spectrum of problems in water-rock interactions. Potential applications in nuclear waste disposal range from problems in geochemical aspects of site evaluation to those of waste-water-rock interactions. However, much further work in the laboratory and the field will be required to develop and verify such applications of chemical modeling

Chemical behavior of long-lived radionuclides in the marine environment

International Nuclear Information System (INIS)

Edgington, D.N.; Nelson, D.M.

1983-01-01

Measurements of long-lived radionuclides in the marine environment have provided a wealth of information regarding the physical, biological, and chemical processes which control the behavior of these and many other pollutants in the oceans. Their value as tracers for the dispersion, transport, and fate of pollutants in the oceans is largely dependent on the chemical properties of each individual radioelement. Differences in these properties, particularly in relation to their interaction with biotic or abiotic particulate matter, result in the separation of parent-daughter radioisotopes in the natural radioelement series or in changes in the ratios of fission and activation products. Such differences have provided the means to provide time scales for a variey of transport processes and to determine sedimentation rates. The properties of these radionuclides in the oceans can, in general, be predicted from the chemical properties of the stable elements. For those elements such as plutonium, for which there are no naturally-occurring stable isotopes, studies of their distribution in the oceans have provided a new important understanding of their chemical behavior. This behavior has not always agreed with what would have been predicted from laboratory studies carried out at far higher concentrations. Differences between observed distributions and laboratory predictions have highlighted the importance of correct experimental conditions in order to avoid confusing experimental artifacts. The interaction of radionuclides with particles in the oceans and marine sediments can be described in terms of simple ion exchange or adsorption equilibria

ELECTROCHEMICAL BEHAVIOUR OF METHYLENE BLUE IN NON-AQUEOUS SOLVENTS

International Nuclear Information System (INIS)

Caram, J.A.; Suárez, J.F. Martínez; Gennaro, A.M.; Mirífico, M.V.

2015-01-01

Graphical abstract: Display Omitted - Highlights: • The dye is electro-reduced in two separated monoelectronic charge transfers. • Solvent/supporting electrolyte/acid/base modifies the electrochemical parameters. • A dissociation equilibrium of the dye in non-aqueous solvent is proposed. • The electro-generated and stable dye-radical is also chemically produced in EDA or KOH/DMF. • A new species is reversibly formed in KOH/EtOH or ACN. - Abstract: The electrochemical behaviour of methylene blue in solution of non-aqueous solvents with different supporting electrolytes was studied by cyclic voltammetry. Dye electro-reduction presents two well-defined processes of monoelectronic charge transfer yielding a free radical in the first process and an anion in the second electron transfer. Free radical and anion are long living species in some of the studied media. Effects of supporting electrolyte and solvent on the peak potentials, the peak current functions and the reversibility of the charge transfer processes are reported. A dissociation equilibrium of the dye in solution of non-aqueous solvents and the acid or base added determine markedly the electrochemical responses. In the particular cases of KOH/DMF or EDA basic media the chemical formation of the stable methylene blue radical was detected and it was characterized by EPR spectroscopy. A general reaction scheme is proposed

Chemical-to-Electricity Carbon: Water Device.

Science.gov (United States)

He, Sisi; Zhang, Yueyu; Qiu, Longbin; Zhang, Longsheng; Xie, Yun; Pan, Jian; Chen, Peining; Wang, Bingjie; Xu, Xiaojie; Hu, Yajie; Dinh, Cao Thang; De Luna, Phil; Banis, Mohammad Norouzi; Wang, Zhiqiang; Sham, Tsun-Kong; Gong, Xingao; Zhang, Bo; Peng, Huisheng; Sargent, Edward H

2018-03-26

The ability to release, as electrical energy, potential energy stored at the water:carbon interface is attractive, since water is abundant and available. However, many previous reports of such energy converters rely on either flowing water or specially designed ionic aqueous solutions. These requirements restrict practical application, particularly in environments with quiescent water. Here, a carbon-based chemical-to-electricity device that transfers the chemical energy to electrical form when coming into contact with quiescent deionized water is reported. The device is built using carbon nanotube yarns, oxygen content of which is modulated using oxygen plasma-treatment. When immersed in water, the device discharges electricity with a power density that exceeds 700 mW m -2 , one order of magnitude higher than the best previously published result. X-ray absorption and density functional theory studies support a mechanism of operation that relies on the polarization of sp 2 hybridized carbon atoms. The devices are incorporated into a flexible fabric for powering personal electronic devices. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Self-assembly of pi-conjugated peptides in aqueous environments leading to energy-transporting bioelectronic nanostructures

Energy Technology Data Exchange (ETDEWEB)

Tavor, John [Johns Hopkins Univ., Baltimore, MD (United States)

2016-12-06

The realization of new supramolecular pi-conjugated organic structures inspired and driven by peptide-based self-assembly will offer a new approach to interface with the biotic environment in a way that will help to meet many DOE-recognized grand challenges. Previously, we developed pi-conjugated peptides that undergo supramolecular self-assembly into one-dimensional (1-D) organic electronic nanomaterials under benign aqueous conditions. The intermolecular interactions among the pi-conjugated organic segments within these nanomaterials lead to defined perturbations of their optoelectronic properties and yield nanoscale conduits that support energy transport within individual nanostructures and throughout bulk macroscopic collections of nanomaterials. Our objectives for future research are to construct and study biomimetic electronic materials for energy-related technology optimized for harsher non-biological environments where peptide-driven self-assembly enhances pi-stacking within nanostructured biomaterials, as detailed in the following specific tasks: (1) synthesis and detailed optoelectronic characterization of new pi-electron units to embed within homogeneous self assembling peptides, (2) molecular and data-driven modeling of the nanomaterial aggregates and their higher-order assemblies, and (3) development of new hierarchical assembly paradigms to organize multiple electronic subunits within the nanomaterials leading to heterogeneous electronic properties (i.e. gradients and localized electric fields). These intertwined research tasks will lead to the continued development and fundamental mechanistic understanding of a powerful bioinspired materials set capable of making connections between nanoscale electronic materials and macroscopic bulk interfaces, be they those of a cell, a protein or a device.

Linking algal growth inhibition to chemical activity

DEFF Research Database (Denmark)

Schmidt, Stine N.; Mayer, Philipp

Unitless chemical activity, expressing the energetic level of a compound relative to its energetic level in pure liquid [0-1], has proven useful to quantify the effective exposure to hydrophobic organic compounds through both aerial and aqueous media. Several studies have linked toxicity to chemi......Unitless chemical activity, expressing the energetic level of a compound relative to its energetic level in pure liquid [0-1], has proven useful to quantify the effective exposure to hydrophobic organic compounds through both aerial and aqueous media. Several studies have linked toxicity...... to chemical activity, as opposed to e.g. the total concentration. Baseline toxicity (narcosis) for neutral hydrophobic organic compounds has been shown to initiate in the narrow chemical activity range of 0.01 to 0.1. This presentation focuses on linking algal growth inhibition to chemical activity......-polar liquids were applied to challenge the chemical activity range for baseline toxicity. For each compound, the effective activity (Ea50) was estimated as the ratio of the effective concentration (EC50) and water solubility. Of these ratios, 90% were within the expected chemical activity range of 0.01 to 0...

Radiation chemical effects in experiments to study the reaction of glass in an environment of gamma-irradiated air, groundwater, and tuff

International Nuclear Information System (INIS)

Van Konynenburg, R.A.

1986-01-01

The results of experiments performed by John K. Bates et al. on the reaction of nuclear waste glass with a gamma-irradiated 90 0 C aqueous solution were analyzed using theory developed from past research in radiation chemistry. The aqueous solution they used is similar to what would be expected in a water-saturated environment in a nuclear waste repository in tuff. The purpose of our study was to develop an understanding of the radiation-chemical processes that occurred in the Bates et al. experiments so the results could be applied to the design and performance analysis of a proposed repository in unsaturated tuff in Nevada. For the Bates et al. experiments at the highest dose (269 Mrad), which originally contained about 16 ml of ''equilibrated'' water taken from Nevada Test Site Well J-13 and 5.4 ml of air, we predicted that water decomposition to H 2 and O 2 would produce a pressure increase of at least 1.0 MPa at 20 0 C. We also predicted that nitrogen fixation from the air would occur, producing an increase of 1.6 x 10 -4 M in total fixed nitrogen concentration in solution. In addition, an equimolar production of H + would occur, which would be buffered by the HCO 3 - in the water. The fixed nitrogen in solution was predicted to be present as NO 2 - and NO 3 - with the ratio influenced by the presence of materials catalytic to the decomposition of H 2 O 2 . We found reasonable agreement between our predictions and the observations of Bates et al., where comparisons were possible. We apply the results to the proposed Nevada repository to the degree possible, given the different expected conditions

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

Real-Time Molecular Monitoring of Chemical Environment in ObligateAnaerobes during Oxygen Adaptive Response

Energy Technology Data Exchange (ETDEWEB)

Holman, Hoi-Ying N.; Wozei, Eleanor; Lin, Zhang; Comolli, Luis R.; Ball, David. A.; Borglin, Sharon; Fields, Matthew W.; Hazen, Terry C.; Downing, Kenneth H.

2009-02-25

Determining the transient chemical properties of the intracellular environment canelucidate the paths through which a biological system adapts to changes in its environment, for example, the mechanisms which enable some obligate anaerobic bacteria to survive a sudden exposure to oxygen. Here we used high-resolution Fourier Transform Infrared (FTIR) spectromicroscopy to continuously follow cellular chemistry within living obligate anaerobes by monitoring hydrogen bonding in their cellular water. We observed a sequence of wellorchestrated molecular events that correspond to changes in cellular processes in those cells that survive, but only accumulation of radicals in those that do not. We thereby can interpret the adaptive response in terms of transient intracellular chemistry and link it to oxygen stress and survival. This ability to monitor chemical changes at the molecular level can yield important insights into a wide range of adaptive responses.

Zeolites as alcohol adsorbents from aqueous solutions

Directory of Open Access Journals (Sweden)

Cekova Blagica

2006-01-01

Full Text Available The potential usage of zeolites as adsorbents for the removal of organic molecules from water was investigated in a series of experiments with aqueous solutions of lower alcohols. This could represent a simple solution to the problem of cleaning up industrial wastewater as well as recovering valuable chemicals at relatively low costs. Adsorption isotherms of the Langmuir type were applied, and calculations showed that the amount of propanol adsorbed on silicalite corresponded to approximately 70% of the pore volume. The adsorption process is simple, and recovery of the more concentrated products is easily done by heat treatment and/or at lowered pressures. Adsorption experiments with aqueous acetone showed that silicalite had approximately the same adsorption capacity for acetone as for n-propanol. Heats of adsorption were determined calorimetrically.

Quantitative assessments of the distinct contributions of polypeptide backbone amides versus sidechain groups to chain expansion via chemical denaturation

Science.gov (United States)

Holehouse, Alex S.; Garai, Kanchan; Lyle, Nicholas; Vitalis, Andreas; Pappu, Rohit V.

2015-01-01

In aqueous solutions with high concentrations of chemical denaturants such as urea and guanidinium chloride (GdmCl) proteins expand to populate heterogeneous conformational ensembles. These denaturing environments are thought to be good solvents for generic protein sequences because properties of conformational distributions align with those of canonical random coils. Previous studies showed that water is a poor solvent for polypeptide backbones and therefore backbones form collapsed globular structures in aqueous solvents. Here, we ask if polypeptide backbones can intrinsically undergo the requisite chain expansion in aqueous solutions with high concentrations of urea and GdmCl. We answer this question using a combination of molecular dynamics simulations and fluorescence correlation spectroscopy. We find that the degree of backbone expansion is minimal in aqueous solutions with high concentrations denaturants. Instead, polypeptide backbones sample conformations that are denaturant-specific mixtures of coils and globules, with a persistent preference for globules. Therefore, typical denaturing environments cannot be classified as good solvents for polypeptide backbones. How then do generic protein sequences expand in denaturing environments? To answer this question, we investigated the effects of sidechains using simulations of two archetypal sequences with amino acid compositions that are mixtures of charged, hydrophobic, and polar groups. We find that sidechains lower the effective concentration of backbone amides in water leading to an intrinsic expansion of polypeptide backbones in the absence of denaturants. Additional dilution of the effective concentration of backbone amides is achieved through preferential interactions with denaturants. These effects lead to conformational statistics in denaturing environments that are congruent with those of canonical random coils. Our results highlight the role of sidechain-mediated interactions as determinants of the

Hints of Habitable Environments on Mars Challenge Our Studies of Mars-Analog Sites on Earth

Science.gov (United States)

desMarais, David J

2009-01-01

Life as we know it requires water with a chemical activity (alpha) >or approx.0.6 and sources of nutrients and useful energy. Some biota can survive even if favorable conditions occur only intermittently, but the minimum required frequency of occurrences is poorly understood. Recent discoveries have vindicated the Mars exploration strategy to follow the water. Mars Global Surveyor s Thermal Emission Spectrometer (TES) found coarse-grained hematite at Meridiani Planum. Opportunity rover confirmed this and also found evidence of ancient sulfate-rich playa lakes and near-surface groundwater. Elsewhere, TES found evidence of evaporitic halides in topographic depressions. But alpha might not have approached 0.6 in these evaporitic sulfate- and halide-bearing waters. Mars Express (MEX) and Mars Reconnaissance Orbiter (MRO) found extensive sulfate evaporites in Meridiani and Valles Marineris. MEX found phyllosilicates at several sites, most notably Mawrth Valles and Nili Fossae. MRO's CRISM near-IR mapper extended the known diversity and geographic distribution of phyllosilicates to include numerous Noachian craters. Phyllosilicates typically occur at the base of exposed ancient rock sections or in sediments in early Hesperian craters. It is uncertain whether the phyllosilicates developed in surface or subsurface aqueous environments and how long aqueous conditions persisted. Spirit rover found remarkably pure ferric sulfate, indicating oxidation and transport of Fe and S, perhaps in fumaroles or hot springs. Spirit also found opaline silica, consistent with hydrothermal activity. CRISM mapped extensive silica deposits in the Valles Marineris region, consistent with aqueous weathering and deposition. CRISM also found ultramafic rocks and magnesite at Nili Fossae, consistent with serpentinization, a process that can sustain habitable environments on Earth. The report of atmospheric methane implies subsurface aqueous conditions. A working hypothesis is that aqueous

A predictive model of iron oxide nanoparticles flocculation tuning Z-potential in aqueous environment for biological application

Energy Technology Data Exchange (ETDEWEB)

Baldassarre, Francesca, E-mail: francesca.baldassarre@unisalento.it [University of Salento, Department of Cultural Heritage (Italy); Cacciola, Matteo, E-mail: matteo.cacciola@unirc.it [University “Mediterranea” of Reggio Calabria, DICEAM (Italy); Ciccarella, Giuseppe, E-mail: giuseppe.ciccarella@unisalento.it [University of Salento, Department of Innovation Engineering (Italy)

2015-09-15

Iron oxide nanoparticles are the most used magnetic nanoparticles in biomedical and biotechnological field because of their nontoxicity respect to the other metals. The investigation of iron oxide nanoparticles behaviour in aqueous environment is important for the biological applications in terms of polydispersity, mobility, cellular uptake and response to the external magnetic field. Iron oxide nanoparticles tend to agglomerate in aqueous solutions; thus, the stabilisation and aggregation could be modified tuning the colloids physical proprieties. Surfactants or polymers are often used to avoid agglomeration and increase nanoparticles stability. We have modelled and synthesised iron oxide nanoparticles through a co-precipitation method, in order to study the influence of surfactants and coatings on the aggregation state. Thus, we compared experimental results to simulation model data. The change of Z-potential and the clusters size were determined by Dynamic Light Scattering. We developed a suitable numerical model to predict the flocculation. The effects of Volume Mean Diameter and fractal dimension were explored in the model. We obtained the trend of these parameters tuning the Z-potential. These curves matched with the experimental results and confirmed the goodness of the model. Subsequently, we exploited the model to study the influence of nanoparticles aggregation and stability by Z-potential and external magnetic field. The highest Z-potential is reached up with a small external magnetic influence, a small aggregation and then a high suspension stability. Thus, we obtained a predictive model of Iron oxide nanoparticles flocculation that will be exploited for the nanoparticles engineering and experimental setup of bioassays.

A predictive model of iron oxide nanoparticles flocculation tuning Z-potential in aqueous environment for biological application

International Nuclear Information System (INIS)

Baldassarre, Francesca; Cacciola, Matteo; Ciccarella, Giuseppe

2015-01-01

Iron oxide nanoparticles are the most used magnetic nanoparticles in biomedical and biotechnological field because of their nontoxicity respect to the other metals. The investigation of iron oxide nanoparticles behaviour in aqueous environment is important for the biological applications in terms of polydispersity, mobility, cellular uptake and response to the external magnetic field. Iron oxide nanoparticles tend to agglomerate in aqueous solutions; thus, the stabilisation and aggregation could be modified tuning the colloids physical proprieties. Surfactants or polymers are often used to avoid agglomeration and increase nanoparticles stability. We have modelled and synthesised iron oxide nanoparticles through a co-precipitation method, in order to study the influence of surfactants and coatings on the aggregation state. Thus, we compared experimental results to simulation model data. The change of Z-potential and the clusters size were determined by Dynamic Light Scattering. We developed a suitable numerical model to predict the flocculation. The effects of Volume Mean Diameter and fractal dimension were explored in the model. We obtained the trend of these parameters tuning the Z-potential. These curves matched with the experimental results and confirmed the goodness of the model. Subsequently, we exploited the model to study the influence of nanoparticles aggregation and stability by Z-potential and external magnetic field. The highest Z-potential is reached up with a small external magnetic influence, a small aggregation and then a high suspension stability. Thus, we obtained a predictive model of Iron oxide nanoparticles flocculation that will be exploited for the nanoparticles engineering and experimental setup of bioassays

Open Circuit Potential Changes upon Protonation/Deprotonation of ω-Functionalized Alkanethiols on Au: Determination of Surface pK {sub 1/2} in Aqueous and Non-Aqueous System

Energy Technology Data Exchange (ETDEWEB)

Yoo, Seung Ryul; Park, Kyung Soon; Jang, Jae Won; Hwang, Seong Pil [Korea Univ., Sejong (Korea, Republic of)

2016-09-15

The controlled assembly of functional nanomaterials has been drawing significant interest for making devices by integration of nanomaterials. The building blocks of functional nanomaterials might be confined spatially on the chemically patterned surface through both covalent and non-covalent bonds. Potentiometric measurement is affordable technique for various researchers because it requires only voltmeter and reference electrode. Moreover, it can be applied to various polar solvent such as methanol and ethanol. The open circuit potential (OCP) is measured indicating the potential difference between reference electrode and working electrode. The potential of working electrode might be affected by redox chemical reaction and charge state/separation. Our results provide the simple and affordable method to investigate pK {sub 1/2} of thin film both in aqueous phase and in non-aqueous phase, which has significant role in colloidal chemistry, nanochemistry, surface chemistry, electrochemistry, and others.

A review of chemical decontamination systems for nuclear facilities

International Nuclear Information System (INIS)

Chen, L.; Chamberlain, D.B.; Conner, C.; Vandegrift, G.F.

1996-01-01

With the downsizing of the Department of Energy (DOE) complex, many of its buildings and facilities will be decommissioned and dismantled. As part of this decommissioning, some form of decontamination will be required. To develop an appropriate technology for in situ chemical decontamination of equipment interiors in the decommissioning of DOE nuclear facilities, knowledge of the existing chemical decontamination methods is needed. This paper attempts to give an up-to-date review of chemical decontamination methods. This survey revealed that aqueous systems are the most widely used for the decontamination and cleaning of metal surfaces. We have subdivided the aqueous systems by types of chemical solvent: acid, alkaline permanganate, highly oxidizing, peroxide, and proprietary. Two other systems, electropolishing and foams and gels, are also described in this paper

Sorption of organic chemicals at biogeochemical interfaces - calorimetric measurements

Science.gov (United States)

Krüger, J.; Lang, F.; Siemens, J.; Kaupenjohann, M.

2009-04-01

Biogeochemical interfaces in soil act as sorbents for organic chemicals, thereby controlling the degradation and mobility of these substances in terrestrial environments. Physicochemical properties of the organic chemicals and the sorbent determine sorptive interactions. We hypothesize that the sorption of hydrophobic organic chemicals ("R-determined" chemicals) is an entropy-driven partitioning process between the bulk aqueous phase and biogeochemical interface and that the attachment of more polar organic chemicals ("F-determined" chemicals) to mineral surfaces is due to electrostatic interactions and ligand exchange involving functional groups. In order to determine thermodynamic parameters of sorbate/sorbent interactions calorimetric titration experiments have been conducted at 20˚ C using a Nanocalorimeter (TAM III, Thermometric). Solutions of different organic substances ("R-determined" chemicals: phenanthrene, bisphenol A, "F-determined" chemicals: MCPA, bentazone) with concentrations of 100 mol l-1 were added to suspensions of pure minerals (goethite, muscovite, and kaolinite and to polygalacturonic acid (PGA) as model substance for biofilms in soil. Specific surface, porosity, N and C content, particle size and point of zero charge of the mineral were analyzed to characterize the sorbents. The obtained heat quantities for the initial injection of the organic chemicals to the goethite were 55 and 71 J for bisphenol A and phenanthrene ("R-determined representatives") and 92 and 105 J for MCPA and bentazone ("F-determined" representatives). Further experiments with muscovite, kaolinite and PGA are in progress to determine G and H of the adsorption process.

Removal of Hexavalent Chromium from Aqueous Solutions using ...

African Journals Online (AJOL)

The hexavalent chromium exists in aquatic media as water soluble complex anions and persist. These are concentrated in industrial waste water especially from the tannery industries and release of effluents from industries adversely affects the environment. The removal of heavy metals from aqueous solutions is carried ...

From steroids to aqueous supramolecular chemistry: an autobiographical career review.

Science.gov (United States)

Gibb, Bruce C

2016-01-01

The focus of my group's research is aqueous supramolecular chemistry; we try to understand how chemical entities interact with water and consequently how they interact with each other. This personal history recounts my career experiences that led to his involvement with this fascinating area of science.

Aquatic exposures of chemical mixtures in urban environments: Approaches to impact assessment.

Science.gov (United States)

de Zwart, Dick; Adams, William; Galay Burgos, Malyka; Hollender, Juliane; Junghans, Marion; Merrington, Graham; Muir, Derek; Parkerton, Thomas; De Schamphelaere, Karel A C; Whale, Graham; Williams, Richard

2018-03-01

Urban regions of the world are expanding rapidly, placing additional stress on water resources. Urban water bodies serve many purposes, from washing and sources of drinking water to transport and conduits for storm drainage and effluent discharge. These water bodies receive chemical emissions arising from either single or multiple point sources, diffuse sources which can be continuous, intermittent, or seasonal. Thus, aquatic organisms in these water bodies are exposed to temporally and compositionally variable mixtures. We have delineated source-specific signatures of these mixtures for diffuse urban runoff and urban point source exposure scenarios to support risk assessment and management of these mixtures. The first step in a tiered approach to assessing chemical exposure has been developed based on the event mean concentration concept, with chemical concentrations in runoff defined by volumes of water leaving each surface and the chemical exposure mixture profiles for different urban scenarios. Although generalizations can be made about the chemical composition of urban sources and event mean exposure predictions for initial prioritization, such modeling needs to be complemented with biological monitoring data. It is highly unlikely that the current paradigm of routine regulatory chemical monitoring alone will provide a realistic appraisal of urban aquatic chemical mixture exposures. Future consideration is also needed of the role of nonchemical stressors in such highly modified urban water bodies. Environ Toxicol Chem 2018;37:703-714. © 2017 The Authors. Environmental Toxicology and Chemistry published by Wiley Periodicals, Inc. on behalf of SETAC. © 2017 The Authors. Environmental Toxicology and Chemistry published by Wiley Periodicals, Inc. on behalf of SETAC.

Modeling photoionization of aqueous DNA and its components.

Science.gov (United States)

Pluhařová, Eva; Slavíček, Petr; Jungwirth, Pavel

2015-05-19

Radiation damage to DNA is usually considered in terms of UVA and UVB radiation. These ultraviolet rays, which are part of the solar spectrum, can indeed cause chemical lesions in DNA, triggered by photoexcitation particularly in the UVB range. Damage can, however, be also caused by higher energy radiation, which can ionize directly the DNA or its immediate surroundings, leading to indirect damage. Thanks to absorption in the atmosphere, the intensity of such ionizing radiation is negligible in the solar spectrum at the surface of Earth. Nevertheless, such an ionizing scenario can become dangerously plausible for astronauts or flight personnel, as well as for persons present at nuclear power plant accidents. On the beneficial side, ionizing radiation is employed as means for destroying the DNA of cancer cells during radiation therapy. Quantitative information about ionization of DNA and its components is important not only for DNA radiation damage, but also for understanding redox properties of DNA in redox sensing or labeling, as well as charge migration along the double helix in nanoelectronics applications. Until recently, the vast majority of experimental and computational data on DNA ionization was pertinent to its components in the gas phase, which is far from its native aqueous environment. The situation has, however, changed for the better due to the advent of photoelectron spectroscopy in liquid microjets and its most recent application to photoionization of aqueous nucleosides, nucleotides, and larger DNA fragments. Here, we present a consistent and efficient computational methodology, which allows to accurately evaluate ionization energies and model photoelectron spectra of aqueous DNA and its individual components. After careful benchmarking, the method based on density functional theory and its time-dependent variant with properly chosen hybrid functionals and polarizable continuum solvent model provides ionization energies with accuracy of 0.2-0.3 e

Studies on removal of NH4+-N from aqueous solution by using the activated carbons derived from rice husk

International Nuclear Information System (INIS)

Zhu, Kairan; Fu, Hao; Zhang, Jinghui; Lv, Xiaoshu; Tang, Jie; Xu, Xinhua

2012-01-01

Water pollution caused by ammonia nitrogen has attracted a great attention as its toxicity affects both the environment and human health. The objective of this paper was to investigate the adsorption behavior of NH 4 + -N from aqueous solution by activated carbons prepared from rice husk. The physico-chemical properties of the activated carbon were characterized by Brunauer-Emmett-Teller (BET) test, Fourier transform infrared spectroscopy (FTIR) and scanning electron microscopy (SEM). It was found that the NH 4 + -N adsorption on the rice husk derived carbons was dependent on adsorbent dosage and solution pH. The adsorption kinetics and isotherms of NH 4 + -N by rice husk carbon were also investigated, and good correlation coefficients were obtained for the pseudo-second order kinetic equation. Dubinin-Radushkevitch (D-R) adsorption isotherm model could better describe the adsorption behavior of NH 4 + -N on the rice husk carbon. Calculated by D-R model, the adsorption course of NH 4 + -N on the rice husk carbon was favored chemical ion-exchange mechanism. Moreover, the activated carbon adsorbed NH 4 + -N was highly fertilizer conservation especially for the nitrogen element. It was proposed that the amount of removed NH 4 + -N from aqueous solutions would increase evidently treated by rice husk carbon if combined with biological method. -- Highlights: ► The dosage of rice husk carbon and pH affected the removal of NH 4 + -N from aqueous solution. ► D-R model could better describe the adsorption behavior of NH 4 + -N on the rice husk carbon. ► The removing of NH 4 + -N would be risen by rice husk carbon if combined with biological method.

Chemical durability and characterization of nuclear waste forms in a hydrothermal environment

International Nuclear Information System (INIS)

Braithwaite, J.W.; Johnstone, J.K.

1979-01-01

The chemical durability of a simulated copper borosilicate waste glass and titanate waste ceramic has been studied in hydrothermal environments which could possibly be encountered in a bedded salt or sub-sealed waste isolation repository. The major parameters investigated which affect matrix corrosion and cesium solubilization include solution saturation and equilibrium phenomena, solution composition (especially the Mg +2 ion concentration), pH, particle size, temperature, and time

Wet chemical synthesis of soluble gold nanogaps

DEFF Research Database (Denmark)

Jain, Titoo; Tang, Qingxin; Bjørnholm, Thomas

2014-01-01

NRs) in aqueous solution. Through controlled end-to-end assembly of the AuNRs into dimers or chains, facilitated via target molecules, they can be used as electrical contacts. In this way, the preparation of AuNR-molecule-AuNR junctions by wet chemical methods may afford a large number of identical devices...... with little variation in the interface between molecule and electrode (AuNR). In this Account, we highlight recent progress in using chemically synthesized AuNRs as building blocks for molecular electronic applications. We outline the general synthesis and properties of AuNRs and describe the aqueous growth...... in the nanogaps lets us spectroscopically characterize the molecules via surface-enhanced Raman scattering. We discuss the incorporation of oligopeptides functionalized with acetylene units having uniquely identifiable vibrational modes. This acetylene moiety allows chemical reactions to be performed in the gaps...

Chemical etching of stainless steel 301 for improving performance of electrochemical capacitors in aqueous electrolyte

Science.gov (United States)

Jeżowski, P.; Nowicki, M.; Grzeszkowiak, M.; Czajka, R.; Béguin, F.

2015-04-01

The main purpose of the study was to increase the surface roughness of stainless steel 301 current collectors by etching, in order to improve the electrochemical performance of electrical double-layer capacitors (EDLC) in 1 mol L-1 lithium sulphate electrolyte. Etching was realized in 1:3:30 (HNO3:HCl:H2O) solution with times varying up to 10 min. For the considered 15 μm thick foil and a mass loss around 0.4 wt.%, pitting was uniform, with diameter of pits ranging from 100 to 300 nm. Atomic force microscopy (AFM) showed an increase of average surface roughness (Ra) from 5 nm for the as-received stainless steel foil to 24 nm for the pitted material. Electrochemical impedance spectroscopy realized on EDLCs with coated electrodes either on as-received or pitted foil in 1 mol L-1 Li2SO4 gave equivalent distributed resistance (EDR) of 8 Ω and 2 Ω, respectively, demonstrating a substantial improvement of collector/electrode interface after pitting. Correlatively, the EDLCs with pitted collector displayed a better charge propagation and low ohmic losses even at relatively high current of 20 A g-1. Hence, chemical pitting of stainless steel current collectors is an appropriate method for optimising the performance of EDLCs in neutral aqueous electrolyte.

Continuous Fixed-Bed Column Study and Adsorption Modeling: Removal of Lead Ion from Aqueous Solution by Charcoal Originated from Chemical Carbonization of Rubber Wood Sawdust

Directory of Open Access Journals (Sweden)

Swarup Biswas

2015-01-01

Full Text Available The efficiency of chemically carbonized rubber wood sawdust for the removal of lead ion from the aqueous stream was investigated by column process. Chemically carbonized rubber wood sawdust was prepared by treating the sawdust with H2SO4 and HNO3. Maximum removal of lead ion in column process was found as 38.56 mg/g. The effects of operating parameters such as flow rate, bed depth, concentration, and pH were studied in column mode. Experimental data confirmed that the adsorption capacity increased with the increasing inlet concentration and bed depth and decreased with increasing flow rate. Thomas, Yoon-Nelson, and Adams-Bohart models were used to analyze the column experimental data and the relationship between operating parameters. Chemically carbonized rubber wood sawdust was characterized by using Fourier transform infrared spectroscopy. Scanning electron microscope was also utilized for morphological analysis of the adsorbent. Furthermore X-ray fluorescence spectrum analysis and energy dispersive X-ray spectroscopy were also used for the confirmation of lead adsorption process.

Natural and active chemical remediation of toxic metals and radionuclides in the aquatic environment

International Nuclear Information System (INIS)

McPherson, G.; Pintauro, P.; O'Connor, S.; Zhang, J.; Gonzales, R.; Flowers, G.

1993-01-01

The focus of this research is the non-biological, chemical remediation of toxic heavy metals and radionuclides in aquatic environments. This Tulane/Xavier group includes researchers from Chemistry, Chemical Engineering, and Geology. Active methods using novel zeolites and ion exchange membranes are currently being evaluated for use in removing heavy metals from natural waters. In addition, field and laboratory studies of metal ion exchange reactions and competitive, heavy metal adsorption on clay substrates are underway to determine sediment metal sequestering capacity. A summary of progress to date and future work is presented

Phase equilibrium of (CO2 + 1-aminopropyl-3-methylimidazolium bromide + water) electrolyte system and effects of aqueous medium on CO2 solubility: Experiment and modeling

International Nuclear Information System (INIS)

Chen, Ying; Guo, Kaihua; Bi, Yin; Zhou, Lan

2017-01-01

Highlights: • Phase and chemical equilibrium data for (CO 2 + [APMIm]Br + H 2 O) electrolyte system. • A modified eNRTL model for CO 2 solubility in the amino-based IL aqueous solution. • Effects of aqueous medium on both chemical and physical dissolution of CO 2 . • The correlative coefficient, R s ∗ , for the Henry’s constant of the solution. • New parameters for the segments interaction and the chemical equilibrium constants. - Abstract: New experimental data for solubility of carbon dioxide (CO 2 ) in the aqueous solution of 1-aminopropyl-3-methylimidazolium bromide ([APMIm]Br) with four different water mass fractions (0.559, 0.645, 0.765 and 0.858) at T = (278.15–348.15) K with an interval of T = 10 K and p = (0.1237–6.9143) MPa were presented. The electrolyte nonrandom two-liquid (eNRTL) model was modified to be applicable for an ionic liquid (IL) aqueous solution system, by introducing an idle factor β to illustrate the association effect of IL molecules. A solution Henry’s constant for CO 2 solubility in the IL aqueous solution was defined by introducing a correlative coefficient R s ∗ . The vapor-liquid phase equilibrium of the [APMIm]Br-H 2 O-CO 2 ternary system was successfully calculated with the modified eNRTL model. The chemical and physical mechanisms for the ionized CO 2 formation and the molecular CO 2 dissolved in the solution were identified. The effects of aqueous medium on both chemical and physical dissolution of CO 2 in the [APMIm]Br aqueous solution were studied, and a considerable enhancement of the solubility of CO 2 with increase of the water content in the solution was observed.

Polyfluoroalkyl compounds in the aquatic environment: a review of their occurrence and fate.

Science.gov (United States)

Ahrens, Lutz

2011-01-01

The occurrence and fate of polyfluoroalkyl compounds (PFCs) in the aquatic environment has been recognized as one of the emerging issues in environmental chemistry. PFCs comprise a diverse group of chemicals that are widely used as processing additives during fluoropolymer production and as surfactants in consumer applications for over 50 years. PFCs are known to be persistent, bioaccumulative and have possible adverse effects on humans and wildlife. As a result, perfluorooctane sulfonate (PFOS) has been added to the persistent organic pollutants (POPs) list of the Stockholm Convention in May 2009. However, their homologues, neutral precursor compounds and new PFCs classes continue to be produced. In general, several PFCs from different classes have been detected ubiquitously in the aqueous environment while the concentrations usually range between pg and ng per litre for individual compounds. Sources of PFCs into the aqueous environment are both point sources (e.g., wastewater treatment plant effluents) and nonpoint sources (e.g., surface runoff). The detected congener composition in environmental samples depends on their physicochemical characteristics and may provide information to their sources and transport pathways. However, the dominant transport pathways of individual PFCs to remote regions have not been conclusively characterised to date. The objective of this article is to give an overview on existing knowledge of the occurrence, fate and processes of PFCs in the aquatic environment. Finally, this article identifies knowledge gaps, presents conclusions and recommendations for future work.

Journal of Chemical Sciences | Indian Academy of Sciences

Indian Academy of Sciences (India)

Home; Journals; Journal of Chemical Sciences. MONOHAR HOSSAIN MONDAL. Articles written in Journal of Chemical Sciences. Volume 129 Issue 5 May 2017 pp 637-645 Regular Article. Employment of different spectroscopic tools for the investigation of chromium(VI) oxidation of acetaldehyde in aqueous micellar ...

Towards water compatible MIPs for sensing in aqueous media.

Science.gov (United States)

Horemans, F; Weustenraed, A; Spivak, D; Cleij, T J

2012-06-01

When synthesizing molecularly imprinted polymers (MIPs), a few fundamental principles should be kept in mind. There is a strong correlation between porogen polarity, MIP microenvironment polarity and the imprinting effect itself. The combination of these parameters eventually determines the overall binding behavior of a MIP in a given solvent. In addition, it is shown that MIP binding is strongly influenced by the polarity of the rebinding solvent. Because the use of MIPs in biomedical environments is of considerable interest, it is important that these MIPs perform well in aqueous media. In this article, various approaches are explored towards a water compatible MIP for the target molecule l-nicotine. To this end, the imprinting effect together with the MIP matrix polarity is fine-tuned during MIP synthesis. The binding behavior of the resulting MIPs is evaluated by performing batch rebinding experiments that makes it possible to select the most suitable MIP/non-imprinted polymer couple for future application in aqueous environments. One method to achieve improved compatibility with water is referred to as porogen tuning, in which porogens of varying polarities are used. It is demonstrated that, especially when multiple porogens are mixed, this approach can lead to superior performance in aqueous environments. Another method involves the incorporation of polar or non-polar comonomers in the MIP matrix. It is shown that by carefully selecting these monomers, it is also possible to obtain MIPs, which can selectively bind their target in water. Copyright © 2012 John Wiley & Sons, Ltd.

Exploring consumer exposure pathways and patterns of use for chemicals in the environment

Directory of Open Access Journals (Sweden)

Kathie L. Dionisio

/Product Categories Database,DCPS,Danish Consumer Product Survey,DfE,Design for the Environment,EDSP,Endocrine Disruptor Screening Program,EPA,Environmental Protection Agency,EWG,Environmental Working Group,GRAS,Generally Recognized as Safe,HTP,Human Toxome Project,IUR,Inventory Update Reporting Modifications Rule,MSDS,Material Safety Data Sheets,NICNAS,National Industrial Chemicals Notification and Assessment Scheme,RPC,Retail Product Categories Database,SDWA,Safe Drinking Water Act,SPIN,Substances in Preparation in Nordic Countries,TSCA,Toxic Substances Control Act,Chemical exposure,Human exposure,High throughput,Exposure prioritization,Use category

Rapid mixing chemical oxidative polymerization: an easy route to ...

Indian Academy of Sciences (India)

Administrator

(SDCNTs)/PANI nanofibres (NFs) has been prepared using an easy in situ rapid mixing chemical ... SDCNTs thin film was obtained using thermal chemical vapour deposition method in ... In the next step, 250 mL of aqueous HCl was taken in a.

Journal of Chemical Sciences | Indian Academy of Sciences

Indian Academy of Sciences (India)

... Courses · Symposia · Live Streaming. Home; Journals; Journal of Chemical Sciences. V R Vijayaraghavan. Articles written in Journal of Chemical Sciences. Volume 112 Issue 5 October 2000 pp 507-514 Inorganic and Analytical. Kinetics of oxidation of nickel(II) aza macrocycles by peroxydisulphate in aqueous media.

Journal of Chemical Sciences | Indian Academy of Sciences

Indian Academy of Sciences (India)

Home; Journals; Journal of Chemical Sciences. DEBABRATA NANDI. Articles written in Journal of Chemical Sciences. Volume 128 Issue 8 August 2016 pp 1327-1335 Regular Article. Substitution reactions of [Pd(bipy)(malonate)] explored with a different set of ligands: Kinetic and mechanistic interpretation in aqueous ...

Journal of Chemical Sciences | Indian Academy of Sciences

Indian Academy of Sciences (India)

Home; Journals; Journal of Chemical Sciences. Susmita Roy. Articles written in Journal of Chemical Sciences. Volume 127 Issue 1 January 2015 pp 49-59 Regular Articles. Composition dependent non-ideality in aqueous binary mixtures as a signature of avoided spinodal decomposition · Sarmistha Sarkar Saikat Banerjee ...

Allelopathic effects of Clinopodium menthifolium and Salvia sclarea aqueous extracts

Directory of Open Access Journals (Sweden)

Šućur Jovana T.

2016-01-01

Full Text Available Secondary plant biomolecules are the main agents in biochemical inter­actions between plants and the environment. It is possible to distinguish the role of secondary biomolecules in allelopathic (plant-plant activity, plant-insect, plant-microbe, plant-herbivore and others. These interactions can significantly affect the productivity of agricultural crops. Application of allelochemicals into agricultural practice may reduce the use of herbicides. Effect of Salvia sclarea L. and Clinopodium menthifolium (Host aqueous extracts on lipid peroxidation process, as well as the activity of antioxidant enzymes in leaves and roots of Jimson weed (Datura stramonium L. and soybean (Glycine max L. seedlings were examined 24 h, 72 h and 120 h after the treatment. The third aim was to evaluate effectiveness of aqueous extract as contact toxicant against Rhyzopertha dominica. Our results showed that S. sclarea aqueous extract induced lipid peroxidation in roots of Jimson weed seedlings 24 h after the treatment. Furthermore, both tested concentrations of C. menthifolium aqueous extract induced lipid peroxidation in Jimson weed roots 72 h and 120 h after the treatment. It was observed that S. sclarea aqueous extract showed toxic effect against R. dominica, with high mortality rate (above 95%.

Chemical implications for the presence of introduced materials in the post-emplacement environment

International Nuclear Information System (INIS)

Meike, A.

1993-11-01

This paper addresses our ability to predict the chemical consequences of the presence of introduced materials, many of them man-made, in a radioactive waste repository. The chemical modeling ability required to describe this environment over a 10,000 year period is unique and unprecedented. It requires knowledge of parameters that have never been measured, many of them with respect to introduced materials. This paper discusses considerations that are required to establish the potential significance of introduced materials, especially those that could compromise the lifetime of the waste packages or affect the transport of radionuclides from breached containers. The paper presents issues related to the stability of individual compounds, the potential alteration of predicted natural chemical reactions, the potential moderation of those effects by natural zeolites, and the potential for interactions at elevated temperatures between rock, water, water vapor, radiation, waste package, and introduced materials

Assessment of predictive dermal exposure to chemicals in the work environment

Directory of Open Access Journals (Sweden)

Agnieszka Jankowska

2017-08-01

Full Text Available Assessment of dermal exposure to chemicals in the work environment is problematic, mainly as a result of the lack of measurement data on occupational exposure to chemicals. Due to common prevalence of occupational skin exposure and its health consequences it is necessary to look for efficient solutions allowing for reliable exposure assessment. The aim of the study is to present predictive models used to assess non-measured dermal exposure, as well as to acquaint Polish users with the principles of the selected model functioning. This paper presents examples of models to assist the employer in the the assessment of occupational exposure associated with the skin contact with chemicals, developed in European Union (EU countries, as well as in countries outside the EU. Based on the literature data dermal exposure models EASE (Estimation and Assessment of Substance Exposure, COSHH Essentials (Control of Substances Hazardous to Health Regulations, DREAM (Dermal Exposure Assessment Method, Stoffenmanager , ECETOC TRA (European Centre for Ecotoxicology and Toxicology of Chemicals Targeted Risk Assessment, MEASE (Metal’s EASE, PHED (Pesticide Handlers Exposure Database, DERM (Dermal Exposure Ranking Method and RISKOFDERM (Risk Assessment of Occupational Dermal Exposure to Chemicals were briefly described. Moreover the characteristics of RISKOFDERM, guidelines for its use, information on input and output data were further detailed. Problem of full work shift dermal exposure assessment is described. An example of exposure assessment using RISKOFDERM and effectiveness evaluation to date were also presented. When no measurements are available, RISKOFDERM allows dermal exposure assessment and thus can improve the risk assessment quality and effectiveness of dermal risk management. Med Pr 2017;68(4:557–569

Chemistry of the aqueous medium - Determining factor of corrosion in carbon steel components of secondary circuit

International Nuclear Information System (INIS)

Radulescu, M.; Pirvan, I.; Dinu, A.; Velciu, L.

2003-01-01

The interplay of chemistry of aqueous medium and corrosion processes followed by deposition and/or release of corrosion products determines both formation and growth of superficial films as well as the kinetics of ion release from materials into the aqueous medium. Material corrosion in the secondary circuit of a NPP can be minimized by choosing the materials of the components and by a rigorous inspection of the chemistry of aqueous agent. The chemical inspection helps in minimizing: - the corrosion of the components immersed in feedwater and vapor and of Steam Generator components; - 'dirtying' of the systems particularly of the surfaces implied in heat transfer; - the amount of insoluble chemical species resulting in corrosion process and carried along the circuit; - the corrosion of secondary circuit components during revisions or outages. An important role among the chemical parameters of the fluids circulated in NPP tubing appears to be the pH. In CANDU reactors it must be kept within the range of 8.7 to 9.4 by treating the medium with volatile amines (morpholine and cyclohexylamine). A plot is presented giving the corrosion rate of carbon steels as a function of the pH of the medium. Besides, the oxygen concentration dissolved in the aqueous medium must be maintained under 5 μg per water kg. Other factors determining the corrosion rates are also discussed. The paper gives the results of the experiments done with various materials, solutions and analysis methods

Sorption of a phenols mixture in aqueous solution with activated carbon

International Nuclear Information System (INIS)

Mejia M, D.

2004-01-01

The constant population growth and the quick industrialization have caused severe damages to our natural aquifer resources for a great variety of organic and inorganic pollutants. Among these they are those phenol compounds that are highly toxic, resistant (to the degradation chemistry) and poorly biodegradable. The phenolic compounds is used in a great variety of industries, like it is the production of resins, nylon, plastifiers, anti-oxidants, oil additives, drugs, pesticides, colorants, explosives, disinfectants and others. The disseminated discharges or effluents coming from the industrial processes toward lakes and rivers are causing a growing adverse effect in the environment, as well as a risk for the health. Numerous studies exist on the phenols removal and phenols substituted for very varied techniques, among them they are the adsorption in activated carbon. This finishes it has been used successfully for the treatment of residual waters municipal and industrial and of drinking waters and it is considered as the best technique available to eliminate organic compounds not biodegradable and toxic present in aqueous solution (US EPA, 1991). However a little information exists on studies carried out in aqueous systems with more of a phenolic compound. The activated carbon is broadly used as adsorbent due to its superficial properties in the so much treatment of water as of aqueous wastes, adsorbent for the removal of organic pollutants. The main objective of this work is the adsorption of a aqueous mixture of phenol-4 chloro phenol of different concentrations in activated carbon of mineral origin of different meshes and to diminish with it their presence in water. The experiments were carried out for lots, in normal conditions of temperature and pressure. The experimental results show that the removal capacity depends so much of the superficial properties of the sorbent like of the physical properties and chemical of the sorbate. The isotherms were carried

Physical and chemical characteristics of the longissimus dorsi from swine reared in climate-controlled and uncontrolled environments

Science.gov (United States)

de Mello, Juliana Lolli Malagoli; Berton, Mariana Piatto; de Cassia Dourado, Rita; Giampietro-Ganeco, Aline; de Souza, Rodrigo Alves; Ferrari, Fábio Borba; de Souza, Pedro Alves; Borba, Hirasilva

2017-10-01

The aim of this study was to evaluate the effect of ambient temperature on the physical and chemical characteristics of the longissimus dorsi muscle by comparing the quality of meat from pigs reared in a controlled and in an uncontrolled environment, the latter provided with a shallow pool. Twenty castrated male pigs of the Topigs line were randomly allotted to two treatments: a controlled environment, with constant temperature (22 °C) and relative humidity (70%); and an uncontrolled environment in a conventional shed for rearing pigs equipped with a shallow pool, where pigs were subject to climatic variations. Meat from pigs kept in the controlled environment showed a greater capacity to retain intracellular water, higher tenderness, and lower cholesterol levels than meat from pigs reared in the uncontrolled environment, but displayed higher lipid oxidation and a lower concentration of DHA. Treatments had no effect on color, pH, chemical composition, or fatty acid profile (except DHA concentration). Rearing pigs in sheds equipped with a shallow pool minimizes the effects of environmental heat on meat quality, allowing the production of high-quality meat in warm climate regions without expensive investments. Animals reared in an uncontrolled environment equipped with a shallow pool are able to produce meat with characteristics within the quality standards and with similar quality to that of meat from animals raised in controlled environment.

Chemical thermodynamics of iron - Part 1 - Chemical thermodynamics volume 13a

International Nuclear Information System (INIS)

Lemire, Robert J.; Berner, Urs; Musikas, Claude; Palmer, Donald A.; Taylor, Peter; Tochiyama, Osamu; Perrone, Jane

2013-01-01

Volume 13a of the 'Chemical Thermodynamics' (TDB) series, is the first of two volumes describing the selection of chemical thermodynamic data for species of iron. Because of the voluminous information in the literature, it has been more efficient to prepare the review in two (unequal) parts. This larger first part contains assessments of data for the metal, simple ions, aqueous hydroxido, chlorido, sulfido, sulfato and carbonato complexes, and for solid oxides and hydroxides, halides, sulfates, carbonates and simple silicates. The second part will provide assessments of data for other aqueous halido species, sulfide solids, and solid and solution species with nitrate, phosphate and arsenate, as well as some aspects of solid solutions in iron-oxide and iron-sulfide systems. The database system developed at the OECD/NEA Data Bank ensures consistency not only within the recommended data sets of iron, but also among all the data sets published in the series. This volume will be of particular interest to scientists carrying out performance assessments of deep geological disposal sites for radioactive waste

Gold nanoparticles prepared by electro-exploding wire technique in aqueous solutions

Science.gov (United States)

Kumar, Lalit; Kapoor, Akanksha; Meghwal, Mayank; Annapoorni, S.

2016-05-01

This article presents an effective approach for the synthesis of Au nanoparticles via an environmentally benevolent electro-exploding wire (EEW) technique. In this process, Au nanoparticles evolve through the plasma generated from the parent Au metal. Compared to other typical chemical methods, electro-exploding wire technique is a simple and economical technique which normally operates in water or organic liquids under ambient conditions. Efficient size control was achieved using different aqueous medium like (1mM) NaCl, deionized water and aqueous solution of sodium hydroxide (NaOH, pH 9.5) using identical electro-exploding conditions. The gold nanoparticles exhibited the UV-vis absorption spectrum with a maximum absorption band at 530 nm, similar to that of gold nanoparticles chemically prepared in a solution. The mechanism of size variation of Au nanoparticles is also proposed. The results obtained help to develop methodologies for the control of EEW based nanoparticle growth and the functionalization of nanoparticle surfaces by specific interactions.

Chemical effects induced by γ-irradiated ammonium chloride in aqueous medium

International Nuclear Information System (INIS)

Ravishankar, D.; Chabria, N.

1989-01-01

Dissolution of γ-irradiated ammonium chloride in aqueous solutions of nitrate and iodide results in the formation of NO 2 - and I 2 as products. Appropriate mechanisms are suggested in the light of known stable radiolytic products formed in the salt during irradiation. The variation in the yields of products in the solution with the variation in γ-dose, amount, particle size is studied. The effect of thermal annealing on the yields of products is explained on the basis of annealing of radiolytic products. (author) 13 refs.; 4 figs

Chemical conditions of the Japanese neutral geothermal reservoirs

International Nuclear Information System (INIS)

Chiba, H.

1991-01-01

The aqueous speciation were calculated for fluids of seven Japanese geothermal systems. The aqueous composition as well as CO 2 partial pressure of fluid in neutral pH geothermal reservoir are controlled by silicate, calcite and anhydrite minerals. The chemical composition of neutral pH geothermal reservoir can be predictable if two parameters (e.g. temperature and one of the cation activities) are provided. (author)

Journal of Chemical Sciences | Indian Academy of Sciences

Indian Academy of Sciences (India)

Home; Journals; Journal of Chemical Sciences. Arlin Jose Amali. Articles written in Journal of Chemical Sciences. Volume 124 Issue 2 March 2012 pp 375-383. Formation of fractals by the self-assembly of interpolymer adducts of polymethacrylic acid with complementary polymers in aqueous solution · Kandhasamy Durai ...

Photolysis of oxyfluorfen in aqueous methanol.

Science.gov (United States)

Chakraborty, Subhasish K; Chakraborty, Savitri; Bhattacharyya, Anjan; Chowdhury, Ashim

2013-01-01

Photolysis of oxyfluorfen, an herbicide of the nitrodiphenyl ether class, was studied in aqueous methanol under UV and sunlight. UV irradiation was carried out in a borosilicate glass photoreactor (containing 250 ppm oxyfluorfen in 50% aqueous methanol) equipped with a quartz filter and 125 watt mercury lamp (maximum output 254 nm) at 25 ± 1°C. Sunlight irradiation was conducted at 28 ± 1°C in borosilicate Erlenmeyer flasks containing 250 ppm oxyfluorfen in 50% aqueous methanol. The samples from both the irradiated conditions were withdrawn at a definite time interval and extracted to measure oxyfluorfen content by gas chromatography-flame ionization detector for rate study. The half-life values were 20 hours and 2.7 days under UV and sunlight exposure, respectively. Photolysis of oxyfluorfen yielded 13 photoproducts of which three were characterized by infrared spectrophotometer and (1)H NMR and (13)C NMR spectroscopy. The rest of the photoproducts were identified by gas chromatography-mass spectrometry (GC-MS) and thin layer chromatography (TLC). An ionization potential 70 eV was used for electron impact-mass spectrometry (EI-MS) and methane was used as reagent gas for chemical ionization-mass spectrometry (CI-MS). Two of the photoproducts were also synthesized for comparison. The main phototransformation pathways of oxyfluorfen involved nitro reduction, dechlorination, and hydrolysis as well as nucleophiles displacement reaction.

Nanoparticle detection in aqueous solutions using Raman and Laser Induced Breakdown Spectroscopy

NARCIS (Netherlands)

Sovago, M.; Buis, E.-J.; Sandtke, M.

2013-01-01

We show the chemical identification and quantification of the concentration and size of nanoparticle (NP) dispersions in aqueous solutions by using a combination of Raman Spectroscopy and Laser Induced Breakdown Spectroscopy (LIBS). The two spectroscopic techniques are applied to demonstrate the NP

Thermodynamic Characterization of Iron Oxide-Aqueous Fe(2+) Redox Couples.

Science.gov (United States)

Gorski, Christopher A; Edwards, Rebecca; Sander, Michael; Hofstetter, Thomas B; Stewart, Sydney M

2016-08-16

Iron is present in virtually all terrestrial and aquatic environments, where it participates in redox reactions with surrounding metals, organic compounds, contaminants, and microorganisms. The rates and extent of these redox reactions strongly depend on the speciation of the Fe2+ and Fe3+ phases, although the underlying reasons remain unclear. In particular, numerous studies have observed that Fe2+ associated with iron oxide surfaces (i.e., oxide-associated Fe2+) often reduces oxidized contaminants much faster than aqueous Fe2+ alone. Here, we tested two hypotheses related to this observation by determining if solutions containing two commonly studied iron oxides—hematite and goethite—and aqueous Fe2+ reached thermodynamic equilibrium over the course of a day. We measured reduction potential (EH) values in solutions containing these oxides at different pH values and aqueous Fe2+ concentrations using mediated potentiometry. This analysis yielded standard reduction potential (EH0) values of 768 ± 1 mV for the aqueous Fe2+–goethite redox couple and 769 ± 2 mV for the aqueous Fe2+–hematite redox couple. These values were in excellent agreement with those calculated from existing thermodynamic data, and the data could be explained by the presence of an iron oxide lowering EH values of aqueous Fe3+/Fe2+ redox couples.

Chemical Compounds and Bioactivity of Aqueous Extracts of Alibertia spp. in the Control of Plutella xylostella L. (Lepidoptera: Plutellidae).

Science.gov (United States)

Peres, Lucas L S; Sobreiro, Ana I; Couto, Irys F S; Silva, Rosicléia M; Pereira, Fabricio F; Heredia-Vieira, Silvia C; Cardoso, Claudia A L; Mauad, Munir; Scalon, Silvana P Q; Verza, Sandra S; Mussury, Rosilda M

2017-11-22

Successive applications of insecticides to control Plutella xylostella L. (Lepidoptera: Plutellidae) have resulted in the emergence of resistant populations of this insect. A novel control measure for this target insect could be the use of botanical insecticides derived from plant tissues. Hence, we experimentally tested aqueous extracts of Alibertia edulis (Rich.), Alibertia intermedia (Mart.), and Alibertia sessilis (Vell.) K. Schum. found in the Brazilian savannah in order to investigate their potential to disrupt the life cycle of P. xylostella . Aqueous extracts of the leaves of A. intermedia and A. sessilis negatively affected the development of P. xylostella in all stages of the life cycle, prolonging the larval stage and causing mortality in the larval or pupal stages. Treatments with A. intermedia and A. sessilis extracts caused the lowest fecundity and the number of hatched larvae. The harmful effects of these aqueous extracts on the life cycle of P. xylostella may be attributable to the flavonoids and other phenolic compounds present in A. intermedia and A. sessilis . These aqueous botanical extracts are low in toxicity when compared to non-aqueous pesticides, and may emerge as an effective approach for control of populations of P. xylostella .

Chemical Compounds and Bioactivity of Aqueous Extracts of Alibertia spp. in the Control of Plutella xylostella L. (Lepidoptera: Plutellidae

Directory of Open Access Journals (Sweden)

Lucas L. S. Peres

2017-11-01

Full Text Available Successive applications of insecticides to control Plutella xylostella L. (Lepidoptera: Plutellidae have resulted in the emergence of resistant populations of this insect. A novel control measure for this target insect could be the use of botanical insecticides derived from plant tissues. Hence, we experimentally tested aqueous extracts of Alibertia edulis (Rich., Alibertia intermedia (Mart., and Alibertia sessilis (Vell. K. Schum. found in the Brazilian savannah in order to investigate their potential to disrupt the life cycle of P. xylostella. Aqueous extracts of the leaves of A. intermedia and A. sessilis negatively affected the development of P. xylostella in all stages of the life cycle, prolonging the larval stage and causing mortality in the larval or pupal stages. Treatments with A. intermedia and A. sessilis extracts caused the lowest fecundity and the number of hatched larvae. The harmful effects of these aqueous extracts on the life cycle of P. xylostella may be attributable to the flavonoids and other phenolic compounds present in A. intermedia and A. sessilis. These aqueous botanical extracts are low in toxicity when compared to non-aqueous pesticides, and may emerge as an effective approach for control of populations of P. xylostella.

Chemical Transformations in Proto-Cytoplasmic Media. Phosphorus Coupling in the Silica Hydrogel Phase

Directory of Open Access Journals (Sweden)

Ian B. Gorrell

2017-11-01

Full Text Available It has been proposed that prebiotic chemical studies on the emergence of primitive life would be most relevant when performed in a hydrogel, rather than an aqueous, environment. In this paper we describe the ambient temperature coupling of phosphorus oxyacids [Pi] mediated by Fe(II under aerobic conditions within a silica hydrogel (SHG environment. We have chosen to examine SHGs as they have considerable geological precedence as key phases in silicification en route to rock formation. Following a description of the preparation and characterization studies on our SHG formulations, coupling experiments between Pi species are described across multiple permutations of (i Pi compound; (ii gel formulation; (iii metal salt additive; and (iv pH-modifying agent. The results suggest that successful Pi coupling, indicated by observation of pyrophosphate [PPi(V] via 31P-NMR spectroscopy, takes place when the following components are present: (i a mixture of mixture of Pi(III and Pi(V or pure PPi(III-V; (ii Fe(II; (iii acetic or formic acid (not hydrochloric acid; (iv aerobic conditions or the presence of H2O2 as an oxidant; and (v the presence of a gel system. On the basis of these, and aqueous control reactions, we suggest mechanistic possibilities.

Research on the chemical speciation of actinides

International Nuclear Information System (INIS)

Jung, Euo Chang; Park, K. K.; Cho, H. R.

2012-04-01

A demand for the safe and effective management of spent nuclear fuel and radioactive waste generated from nuclear power plant draws increasing attention with the growth of nuclear power industry. The objective of this project is to establish the basis of research on the actinide chemistry by using highly sensitive and advanced laser-based spectroscopic systems. Researches on the chemical speciation of actinides are prerequisite for the development of technologies related to nuclear fuel cycles, especially, such as the safe management of high level radioactive wastes and the chemical examination of irradiated nuclear fuels. For supporting these technologies, laser-based spectroscopies have been applied for the chemical speciation of actinide in aqueous solutions and the quantitative analysis of actinide isotopes in spent nuclear fuels. In this report, results on the following subjects have been summarized. Development of TRLFS technology for the chemical speciation of actinides, Development of laser-induced photo-acoustic spectroscopy (LPAS) system, Application of LIBD technology to investigate dynamic behaviors of actinides dissolution reactions, Development of nanoparticle analysis technology in groundwater using LIBD, Chemical speciation of plutonium complexes by using a LWCC system, Development of LIBS technology for the quantitative analysis of actinides, Evaluation on the chemical reactions between actinides and humic substances, Spectroscopic speciation of uranium-ligand complexes in aqueous solution, Chemical speciation of actinides adsorbed on metal oxides surfaces

Biosorption of malachite green from aqueous solutions by Pleurotus ostreatus using Taguchi method

Science.gov (United States)

2014-01-01

Dyes released into the environment have been posing a serious threat to natural ecosystems and aquatic life due to presence of heat, light, chemical and other exposures stable. In this study, the Pleurotus ostreatus (a macro-fungus) was used as a new biosorbent to study the biosorption of hazardous malachite green (MG) from aqueous solutions. The effective disposal of P. ostreatus is a meaningful work for environmental protection and maximum utilization of agricultural residues. The operational parameters such as biosorbent dose, pH, and ionic strength were investigated in a series of batch studies at 25°C. Freundlich isotherm model was described well for the biosorption equilibrium data. The biosorption process followed the pseudo-second-order kinetic model. Taguchi method was used to simplify the experimental number for determining the significance of factors and the optimum levels of experimental factors for MG biosorption. Biosorbent dose and initial MG concentration had significant influences on the percent removal and biosorption capacity. The highest percent removal reached 89.58% and the largest biosorption capacity reached 32.33 mg/g. The Fourier transform infrared spectroscopy (FTIR) showed that the functional groups such as, carboxyl, hydroxyl, amino and phosphonate groups on the biosorbent surface could be the potential adsorption sites for MG biosorption. P. ostreatus can be considered as an alternative biosorbent for the removal of dyes from aqueous solutions. PMID:24620852

Spasmogenic, Spasmolytic and Chemical Screening of Cigarettes

African Journals Online (AJOL)

guloona

The aqueous and ethanolic extracts derived from cigarettes (Morven Gold) were screened for chemicals ... Pakistan, oral cancer is the second most common cancer ... E-mail: naveedjia@yahoo.com, naveedullahpharmacist@gmail.com.

Co-exposure with fullerene may strengthen health effects of organic industrial chemicals.

Directory of Open Access Journals (Sweden)

Maili Lehto

Full Text Available In vitro toxicological studies together with atomistic molecular dynamics simulations show that occupational co-exposure with C60 fullerene may strengthen the health effects of organic industrial chemicals. The chemicals studied are acetophenone, benzaldehyde, benzyl alcohol, m-cresol, and toluene which can be used with fullerene as reagents or solvents in industrial processes. Potential co-exposure scenarios include a fullerene dust and organic chemical vapor, or a fullerene solution aerosolized in workplace air. Unfiltered and filtered mixtures of C60 and organic chemicals represent different co-exposure scenarios in in vitro studies where acute cytotoxicity and immunotoxicity of C60 and organic chemicals are tested together and alone by using human THP-1-derived macrophages. Statistically significant co-effects are observed for an unfiltered mixture of benzaldehyde and C60 that is more cytotoxic than benzaldehyde alone, and for a filtered mixture of m-cresol and C60 that is slightly less cytotoxic than m-cresol. Hydrophobicity of chemicals correlates with co-effects when secretion of pro-inflammatory cytokines IL-1β and TNF-α is considered. Complementary atomistic molecular dynamics simulations reveal that C60 co-aggregates with all chemicals in aqueous environment. Stable aggregates have a fullerene-rich core and a chemical-rich surface layer, and while essentially all C60 molecules aggregate together, a portion of organic molecules remains in water.

Allelopathic effects of aqueous extracts of Duranta repens on the germination and early growth of Lactuca sativa and Lycopersicum esculentum

Directory of Open Access Journals (Sweden)

Junior Borella

2010-04-01

effect by one plant on another through production of chemical compounds released into the environment. In this work, the effects of aqueous extracts of Duranta repens fresh, dried leaves and fruit on the germination and early growth of lettuce and tomato were investigated. Aqueous extracts at concentrations of 1%, 2% and 4% (w/v were prepared and characterized as to pH and osmotic potential. Phytochemical analysis of leaves and fruits was also carried out. Germination parameters consisted of the percentage of germination (PG, speed of germination (VG and speed of germination index (IVG. Initial growth was evaluated through length (root and shoot and mass (fresh, dried and water content. Extracts of fresh and dry leaves altered the tomato PG and lettuce and tomato VG and IVG. All extracts affected the root length of the lettuce and tomato, as well as the length of the shoots and mass (dry and fresh of the lettuce. The phytochemical analysis revealed the presence of saponins and flavonoids. The action of the extracts was disassociated from any effect of osmotic potential and pH, indicating allelopathic activity.

E4CHEM. A simulation program for the fate of chemicals in the environment. Handbook. User`s guide and description. Version 3.6. December 1995

Energy Technology Data Exchange (ETDEWEB)

Brueggemann, R [GSF - Forschungszentrum fuer Umwelt und Gesundheit Neuherberg GmbH, Oberschleissheim (Germany). Projektgruppe Umweltgefaehrdungspotentiale von Chemikalien; Drescher-Kaden, U [GSF - Forschungszentrum fuer Umwelt und Gesundheit Neuherberg GmbH, Oberschleissheim (Germany). Projektgruppe Umweltgefaehrdungspotentiale von Chemikalien; Muenzer, B [GSF - Forschungszentrum fuer Umwelt und Gesundheit Neuherberg GmbH, Oberschleissheim (Germany). Projektgruppe Umweltgefaehrdungspotentiale von Chemikalien

1996-02-01

The predominant aims of E4CHEM are: Deterministic description of the chemical`s behavior in the environment with varying ecoparameters including the special aspects; Behavior of the same chemical in different compartments; Behavior of different chemicals in the same compartment with the same ecoparameters; Tracing back of chemicals detected in the environment to the possible source by means of check procedures like in EXWAT, one of the E4CHEM models; Discharge of the user from extensive calculation operations; Interpretation of experimental results. In combination with statistics and algebraic tools (lattice theory) but not included in E4CHEM yet: Selection of descriptors as tool for priority setting; Identification and ranking of chemicals according to their risk to the environment by comparing descriptors within descriptor matrices about the behavior of chemicals deived from the different models. Furthermore: Identification of chemical applicable as reference substances with respect to environmental behavior. The program E4CHEM is described in this manual. (orig./SR)

Adjoint sensitivity analysis applied on a model of irradiation assisted degradation of metals in aqueous systems

International Nuclear Information System (INIS)

Simonson, S.A.; Ballinger, R.G.; Christensen, R.A.

1990-01-01

Irradiation of an aqueous environment results, in general, in a steady state concentration of oxidizing chemical species in solution. Although the effect may be beneficial to the metal in contact with the solution in some cases, say by producing a more protective film, it is generally believed to be detrimental. The ability to predict the concentrations of the oxidizing species and from this begin to analyze the detrimental behavior on the metals requires computer codes that model the chemical reactions, production rates, and diffusion characteristics of the species being produced by irradiation. The large number of parameters and the complexity of the interactions involved in the predictions of irradiation effects on metals degradation requires a more sophisticated approach to determining the sensitivities of the final results. Monte Carlo techniques are too computationally intensive for practical use in determining sensitivities. The paper presents an approach, adjoint sensitivity analysis, that is more practical, i.e., three computer runs versus thousands, and also a more accurate measure of the sensitivities of the model

Chemical reactivity of self-organized alumina nanopores in aqueous medium

International Nuclear Information System (INIS)

Rocca, E.; Vantelon, D.; Gehin, A.; Augros, M.; Viola, A.

2011-01-01

This work is devoted to the characterization of the structure and chemistry of small self-organized nanopores of aluminum oxide in aqueous medium (diameter 4 /AlO 6 clusters is proposed to describe the amorphous oxide constituting the walls of the nanostructure. X-ray absorption near edge spectroscopy measurements, electrokinetic measurements and O 18 tracer experiments bring to light the structural changes and the specific diffusion mechanism in the nanometer network. Immersion in boiling water induces both the transformation of AlO 4 to AlO 6 clusters and the release of sulfate species by hydrolysis. Water molecules rapidly diffuse in the nanostructure, but ion diffusion is selective because of surface positive charges and overlap of the surface electric field in very small pores.

Metal and anion composition of two biopolymeric chemical stabilizers and toxicity risk implication for the environment.

Science.gov (United States)

Ndibewu, P P; Mgangira, M B; Cingo, N; McCrindle, R I

2010-01-01

The objective of this study was to (1) measure the concentration of four anions (Cl(-), F(-), [image omitted], and [image omitted]) and nine other elements (Al, Ba, Ca, K, Mg, Mn, Fe, Ni, and Si) in two nontraditional biopolymeric chemical stabilizers (EBCS1 and EBCS2), (2) investigate consequent environmental toxicity risk implications, and (3) create awareness regarding environmental health issues associated with metal concentration levels in enzyme-based chemical stabilizers that are now gaining widespread application in road construction and other concrete materials. Potential ecotoxicity impacts were studied on aqueous extracts of EBCS1 and EBCS2 using two thermodynamic properties models: the Pitzer-Mayorga model (calculation of the electrolyte activity coefficients) and the Millero-Pitzer model (calculation of the ionic activity coefficients). Results showed not only high concentrations of a variety of metal ions and inorganic anions, but also a significant variation between two chemical stabilizing mixtures. The mixture (EBCS2) with the lower pH value was richer in all the cationic and anionic species than (EBCS1). Sulfate (SO(2-)(4)) concentrations were found to be higher in EBCS2 than in EBCS1. There was no correlation between electrolyte activity and presence of the ionic species, which may be linked to a possible high ionic environmental activity. The concentrations of trace metals found (Mn, Fe, and Ni) were low compared to those of earth metals (Ba, Ca, K, and Mg). The metal concentrations were higher in EBCS1 than in EBCS2. Data suggest that specific studies are needed to establish "zero" permissible metal ecotoxicity values for elements and anions in any such strong polyelectrolytic enzyme-based chemical stabilizers.

Theory of terahertz pumping of chemical environments in the condensed phase

International Nuclear Information System (INIS)

Mishra, Pankaj Kumar

2015-12-01

Newly emerged light-sources allow to generate fully synchronized, ultrashort and highly intense light pulses. With these light pulses, it is possible to initiate a process by a pump pulse and follow the dynamics via probe pulse in the femtosecond timescale. These pump-probe experiments play an important role for studying the chemical and biological processes in real time. Such techniques are also used to generate temperature-jump (T-jump) in ultrashort timescale to study the very fast kinetics of fundamental steps in chemical processes. Because of its biological and chemical relevance, T-jump experiments on liquid water have gained a lot of attention. Rather than acting as a passive environment, the dynamics of water during chemical and biological processes play a fundamental role in the solvation and stabilization of reaction intermediates. To target the O-H stretching mode of water with an infrared (IR) laser is a widely used mechanism to generate the T-jump in nanosecond to femtosecond timescales. With these techniques, T-jump has been limited only to few 10s of K so far. In this thesis, a new mechanism is investigated to generate T-jump up to few 100s of K in sub-ps timescale. The main portion of this thesis concentrates on the response of liquid water to sub-cycle THz pump pulses spectrally centered at 100 cm -1 (∝3 THz). The THz pump pulse with intensity of 5 x 10 12 W/cm 2 transfers a large amount of energy to inter- and intramolecular vibrations of water in sub-ps timescale. After the pump pulse, water reaches to a quasiequilibrium state, which is a gas-like hot liquid. The large energy gain in water causes significant structural modifications and vibrational shifting, which can be probed by timeresolved coherent x-ray scattering and time-resolved IR spectroscopy, respectively. Here, the interaction of THz pulse with water molecules is investigated from clusters to bulk water. We find it to be mainly described via the interaction of electric field with

The effect of gamma irradiation on rice protein aqueous solution

Science.gov (United States)

Baccaro, Stefania; Bal, Oya; Cemmi, Alessia; Di Sarcina, Ilaria

2018-05-01

The use of proteins as natural biopolymers are sensibly increasing in several application fields such as food industry, packaging and environment protection. In particular, rice proteins (RP) present good nutritional, hypoallergenic and healthful properties very interesting for human consumption. Since ionizing radiation can be successfully applied on protein containing systems involved in different industrial processes, this work aims to determine the effect of gamma radiation on 5 wt%-7.5 wt% RP aqueous solutions in a wide range of absorbed doses up to around 40 kGy. The changes of RP secondary and tertiary structures and their chemical composition were followed by UV-VIS absorbance spectroscopy, luminescence analysis and pH measurements. The experimental data showed the occurrence of the unfolding of RP chains with the increase of the absorbed dose and the formation of new molecules, due to the reaction among tryptophane and tyrosine amino acids and the radical species induced by gamma radiation. The results are also confirmed by the modification of the pH values measured for the irradiated solutions.

Applications of micro-spectroscopy and chemical imaging to delineate contaminant associations in heterogeneous mineral environments

International Nuclear Information System (INIS)

Hunter, D.

1998-01-01

Full text: Chemical speciation of a contaminant in the environment controls its mobility, bioavailability and ultimately its toxicity to organisms, including man. Transport models for environmental contaminants have continually failed because of an incomplete understanding of the physicochemical controls regulating the chemical speciation of both inorganic and organic contaminants. One of the greatest analytical difficulties to studying contaminant behavior in the subsurface is the inherent heterogeneity of mineral and organic constituents. Added to the multiplicity, of geological component surfaces that contaminants can interact with is the synergistic (both positive and negative) effects that occur due to non-conservative interactions between these components. Modern spectroscopic techniques can provide detailed quantitative and qualitative information on how contaminants behave within a specific mineral's surface-water interface. In general, the information is so rich as to be un interpretable in heterogeneous systems where multiple binding environments exist on competing multi-mineralic surfaces. None-the-less, it is the behaviour of contaminants in complex heterogeneous environments that is tantamount to understanding and predicting transport behaviour under field conditions. One solution is micro-spot spectroscopy. In micro-spot spectroscopy, chemical composition is determined by dispersing light absorbed or emitted from a highly localized spatial position within a heterogeneous sample. Such examples include FT-IR, Raman, fluorescence, and X-Ray absorption spectroscopies where spatial resolutions of 1 to 10 μm can be achieved. This scale can be still far too large to fully spectroscopically probe binding behaviour that is heterogeneous on colloidal scales ranging down to nanometers. However, it can provide a bridge to established characterization techniques such as optical petrography, since the challenge lies not only in identifying the speciation and

Alleloppathic effects and insecticidal activity of the aqueous extract of Satureja montana L.

Directory of Open Access Journals (Sweden)

Šućur Jovana

2015-01-01

Full Text Available Extensive use of synthetic insecticides, herbicides and other pesticides has negative effects on the environment and on human and animal health. Therefore scientists are turning towards natural pesticides such as active components of plant extracts. Effect of two concentrations (0.1% and 0.2% of Satureja montana L. aqueous extract on lipid peroxidation process, as well as the activity of the antioxidant enzymes (SOD, GPX, PPX and CAT in leaves and roots of pepper and black nightshade seedlings were examined 24, 72 and 120h after the treatment. Our results showed that higher concentration of S. montana aqueous extract induced lipid peroxidation in black nightshade roots. Furthermore, significant increases of pyrogallol and guaiacol peroxidase were detected in black nightshade leaves treated with 0.2% S. montana aqueous extract. The second aim was to evaluate effectiveness of aqueous extract as contact toxicant against whitefly. It was observed that aqueous extract with concentration of 0.2% showed toxic effect with 68.33% mortality after 96h.

Evaluation of the Natural Adsorbent Luffa cylindrical for the Removal of Cadmium (II from Aqueous Environments

Directory of Open Access Journals (Sweden)

Ali Shahidi

2015-07-01

Full Text Available Contamination of water resources with heavy metals has nowadays become a global problem that requires continuous monitoring and control. An annual quantity of about 25,000 tons of cadmium is normally discharged into the environment. The objective of this study was to investigate cadmium removal from aqueous environments with the natural Luffa sorbent using equilibrium experiments consisting of the batch flow mode and the continuous flow mode reactors with a fixed bed column. The effects of pH, contact time, adsorbent dosage, and initial solution concentration on the uptake of metal ions by the adsorbent in the batch operation were examined. Langmuir and Freundlich isotherm models were used to investigate the adsorption equilibrium. The adsorption behavior of Cd(II ions fitted both isotherms but followed the Langmuir isotherm most precisely (R2=0.987, with a maximum adsorption capacity of 6.711 mg/g. Cadmium removal in the continuous flow mode using a fixed bed column was also studied. The effecte of operating parameters such as flow rate and inlet Cd(II concentration on the sorption characteristics of Luffa were determined by assessing the breakthrough curve. The data confirmed that the total amount of sorbet Cd(II and equilibrium Cd(II uptakes decreased with increasing flow rate but increased with increasing inlet Cd(II concentration. The Adams–Bohart model was applied to the experimental data to predict the breakthrough curves and to determine the characteristic parameters of the column useful for process design. Results showed that the natural Luffa absorbent was capable of efficiently removing cadmium from water.

Method for quantifying the fate of petroleum in the environment

International Nuclear Information System (INIS)

Mills, M.A.; McDonald, T.J.; Bonner, J.S.; Simon, M.A.; Autenrieth, R.L.

1999-01-01

Petroleum is a complex mixture of a wide range of hydrocarbon and non-hydrocarbon compounds of various physical and chemical properties. In recent years, the research on the fate of petroleum in the environment has required analytical methods that can provide more detailed information on the components of petroleum than traditional standard methods. The analytical method presented for aqueous, sediment, and soil samples provides several levels of information on petroleum in the environment. The Total Extractable Materials (TEM) analysis provides a gross measure of petroleum in the environment using methylene chloride extraction and gravimetric analysis. Gross composition analysis separates the methylene chloride extract into a saturate hydrocarbon, an aromatic hydrocarbon, and a polar fraction each measured gravimetrically. In contrast, the target compound analysis provides a detailed measure by GC-MS of 62 specific compounds. Normalization to the conservative compound, 17α, 21β-(H)Hopane, is incorporated into the method to reduce the effects of sample and site heterogeneity. Quality control and quality assurance procedures are integral parts of these analyses to assure the validity of the resulting data. (author)

Chemical behaviour of plutonium in aqueous chloride solutions

International Nuclear Information System (INIS)

Bueppelmann, K.; Kim, J.I.

1988-06-01

The chemical behaviour of Plutonium has been investigated in concentrated NaCl solutions in the neutral pH range. The α-radiation induced radiolysis reactions oxidize the Cl - -ion to Cl 2 , HClO, ClO - and other species, which produce a strongly oxidizing medium. Under these conditions the Pu ions of lower oxidation states are readily oxidized to Pu(VI), which then undergo depending on the pH of the solution, various chemical reactions to produce PuO 2 Cl n , PuO 2 (ClO) m or PuO 2 (OH) x species. In addition to primary radiolysis reactions taking place in NaCl solutions, the reactions leading to the PuO 2 (Cl) n and PuO 2 (ClO) m species have been characterized and quantified systematically by spectroscopic and thermodynamic evaluation. The redox and complexation reactions of Pu ions under varying NaCl concentration, specific α-activity and pH are discussed. (orig.) [de

Stability of Medium-Bridged Twisted Amides in Aqueous Solutions

Science.gov (United States)

Szostak, Michal; Yao, Lei; Aubé, Jeffrey

2012-01-01

“Twisted” amides containing non-standard dihedral angles are typically hypersensitive to hydrolysis, a feature that has stringently limited their utility in water. We have synthesized a series of bridged lactams that contain a twisted amide linkage but which exhibit enhanced stability in aqueous environments. Many of these compounds were extracted unchanged from aqueous mixtures ranging from the strongly basic to the strongly acidic. NMR experiments showed that tricyclic lactams undergo reversible hydrolysis at extreme pH ranges, but that a number of compounds in this structure class are indefinitely stable under physiologically relevant pH conditions; one bicyclic example was additionally water-soluble. We examined the effect of structure on the reversibility of amide bond hydrolysis, which we attributed to the transannular nature of the amino acid analogs. These data suggest that medium-bridged lactams of these types should provide useful platforms for studying the behavior of twisted amides in aqueous systems. PMID:19178141

Rapid chemical separations

CERN Document Server

Trautmann, N

1976-01-01

A survey is given on the progress of fast chemical separation procedures during the last few years. Fast, discontinuous separation techniques are illustrated by a procedure for niobium. The use of such techniques for the chemical characterization of the heaviest known elements is described. Other rapid separation methods from aqueous solutions are summarized. The application of the high speed liquid chromatography to the separation of chemically similar elements is outlined. The use of the gas jet recoil transport method for nuclear reaction products and its combination with a continuous solvent extraction technique and with a thermochromatographic separation is presented. Different separation methods in the gas phase are briefly discussed and the attachment of a thermochromatographic technique to an on-line mass separator is shown. (45 refs).

Extraction of peptide tagged cutinase in detergent-based aqueous two-phase systems

NARCIS (Netherlands)

Rodenbrock, A.; Selber, K.; Egmond, M.R.; Kula, M.-R.

2010-01-01

Detergent-based aqueous two-phase systems have the advantage to require only one auxiliary chemical to induce phase separation above the cloud point. In a systematic study the efficiency of tryptophan-rich peptide tags was investigated to enhance the partitioning of an enzyme to the detergent-rich

Analysis of Solid and Aqueous Phase Products from Hydrothermal Carbonization of Whole and Lipid-Extracted Algae

Directory of Open Access Journals (Sweden)

Amber Broch

2013-12-01

Full Text Available Microalgae have tremendous potential as a feedstock for production of liquid biofuels, particularly biodiesel fuel via transesterification of algal lipids. However, biodiesel production results in significant amounts of algal residues, or “lipid extracted algae” (LEA. Suitable utilization of the LEA residue will improve the economics of algal biodiesel. In the present study, we evaluate the hydrothermal carbonization (HTC of whole and lipid extracted algal (Spirulina maxima feedstocks in order to produce a solid biofuel (hydrochar and value-added co-products in the aqueous phase. HTC experiments were performed using a 2-L Parr reactor (batch type at 175–215 °C with a 30-min holding time. Solid, aqueous and gaseous products were analyzed using various laboratory methods to evaluate the mass and carbon balances, and investigate the existence of high value chemicals in the aqueous phase. The HTC method is effective in creating an energy dense, solid hydrochar from both whole algae and LEA at lower temperatures as compared to lignocellulosic feedstocks, and is effective at reducing the ash content in the resulting hydrochar. However, under the treatment temperatures investigated, less than 1% of the starting dry algae mass was recovered as an identified high-value chemical in the aqueous phase.

Lanthanide complexation in aqueous solutions

International Nuclear Information System (INIS)

Choppin, G.R.

1984-01-01

The lanthanide elements form an extended series of cations with the same charge, slightly varying radii and useful magnetic and spectroscopic properties. Their use in technology is growing rapidly as their properties are more fully explored. The lanthanides also offer scientists valuable and often unique probes for investigating a variety of chemical and physical phenomena. This review has attempted to call attention to these latter uses without trying to provide a thorough discussion of all the relevant literature. Hopefully, awareness of the more interesting facets of present studies of lanthanide complexes in aqueous solution will spur even more advances in the use of these elements. (Auth.)

Chemistry of technetium in the environment

International Nuclear Information System (INIS)

McFadden, K.M.

1980-08-01

Technetium release to the environment may occur during separation and recovery of spent nuclear fuels, or in disposal of aqueous waste from nuclear facilities, hospitals, or other users. The chemistry and sources of technetium are reviewed as a basis for prediction of its behavior in the environment

Chemical modification of silica gel with synthesized Schiff base hydrazone derivative and application for preconcentration and separation of U(VI) ions from aqueous solutions

International Nuclear Information System (INIS)

Gamze Karayel Incili; Gul Asiye Aycik

2014-01-01

Schiff base hydrazone derivative (HL) sorbent was synthesized according to the literature to be used in the adsorption and preconcentration of U(VI) ions from aqueous solution and it was exposed to immobilization, and new solid support material was obtained. For this purpose, Schiff base hydrazone derivative (HL) was chemically bonded to silica gel surface immobilized 3-aminopropyl trimethoxysilane, then analyzed by Fourier transform infrared, Brunauer-Emmett-Teller, scanning electron microscopy and elemental analysis. The influence of the solution pH, amount of sorbent, contact time, temperature, foreign ion effect and initial U(VI) concentration was investigated. The maximum U(VI) uptake capacity was found to be 8.46 mg/g. (author)

Low-Cost Chemical-Responsive Adhesive Sensing Chips.

Science.gov (United States)

Tan, Weirui; Zhang, Liyuan; Shen, Wei

2017-12-06

Chemical-responsive adhesive sensing chip is a new low-cost analytical platform that uses adhesive tape loaded with indicator reagents to detect or quantify the target analytes by directly sticking the tape to the samples of interest. The chemical-responsive adhesive sensing chips can be used with paper to analyze aqueous samples; they can also be used to detect and quantify solid, particulate, and powder analytes. The colorimetric indicators become immediately visible as the contact between the functionalized adhesives and target samples is made. The chemical-responsive adhesive sensing chip expands the capability of paper-based analytical devices to analyze solid, particulate, or powder materials via one-step operation. It is also a simpler alternative way, to the covalent chemical modification of paper, to eliminate indicator leaching from the dipstick-style paper sensors. Chemical-responsive adhesive chips can display analytical results in the form of colorimetric dot patterns, symbols, and texts, enabling clear understanding of assay results by even nonprofessional users. In this work, we demonstrate the analyses of heavy metal salts in silica powder matrix, heavy metal ions in water, and bovine serum albumin in an aqueous solution. The detection is one-step, specific, sensitive, and easy-to-operate.

Aqueous-salt system containing ytterbium nitrate and pyridine nitrate

International Nuclear Information System (INIS)

Zhuravlev, E.F.; Khisaeva, D.A.; Izmajlova, L.V.

1983-01-01

Cross-section method has been used to study solubility in ternary aqueous-salt system Yb(NO 3 ) 3 -C 5 H 5 NxHNO 3 -H 2 0 at 25 and 50 deg C. It is established that the system is characterized by chemical interaction. Congruently soluble compound of Yb(NO 3 ) 3 x2[C 5 H 5 NxHNO 3 ] composition is discovered in the system. Composition of the compound is confirmed by chemical analysis; its infrared spectra are studied. Interplanar distances are determined; derivatogram of the compound is given. The results of the works are compared with analogous investigations of another rare earth nitrates

Corrosion Behavior of SA508 Coupled with and without Magnetite in Chemical Cleaning Environments

International Nuclear Information System (INIS)

Son, Yeong-Ho; Jeon, Soon-Hyeok; Song, Geun Dong; Hur, Do Haeng; Lee, Jong-Hyeon

2017-01-01

To mitigate these problems, chemical cleaning process has been widely used. However, the chemical cleaning solution can affect the corrosion of SG structural materials as well as the magnetite dissolution. During the chemical cleaning process, the galvanic corrosion between SG materials and magnetite is also anticipated because they are in electrical connection. However, the corrosion measurement or monitoring for the materials has been performed without consideration of galvanic effect coupled with magnetite during the chemical cleaning process. In this study, the effect of temperature and EDTA concentration on the corrosion behavior of SA508 tubesheet material with and without magnetite was studied in chemical cleaning solutions. The galvanic corrosion behavior between SA508 and magnetite is predicted by using the mixed potential theory and its effect on the corrosion rate of SA508 is also discussed. By newly designed immersion test, it was confirmed that the extent of galvanic corrosion effect between SA508 and magnetite increased with increasing temperature and EDTA concentration. The galvanic corrosion behavior of SA508 coupled with magnetite in chemical cleaning environments was predicted by the mixed potential theory and verified by ZRA and LP technique. Galvanic coupling increased the corrosion rate of SA508 due to the shift in its potential to the anodic direction. Therefore, the galvanic corrosion effect between SA508 and magnetite should be considered when the corrosion measurement is performed during the chemical cleaning process in steam generators.

Improved removal of malachite green from aqueous solution using chemically modified cellulose by anhydride.

Science.gov (United States)

Zhou, Yanmei; Min, Yinghao; Qiao, Han; Huang, Qi; Wang, Enze; Ma, Tongsen

2015-03-01

Cellulose modified with maleic (M) and phthalic (P) anhydride, to be named CMA and CPA, were tested as feasible adsorbents for the removal of malachite green from aqueous solution. At the same time, the uptake ability of natural cellulose was also studied for comparison. The structure of material was characterized by FT-IR and XRD. The effects of solution pH, initial dye concentration, contact time and temperature were investigated in detail by batch adsorption experiments. The kinetic and isotherm studies suggested that the adsorption followed the pseudo-second-order model and Langmuir isotherm. The maximum adsorption capacity on CMA and CPA were 370 mg g(-1) and 111 mg g(-1), respectively. Furthermore, the thermodynamics studies indicated the spontaneous nature of adsorption of malachite green on adsorbents. All the studied results showed that the modified cellulose could be used as effective adsorption material for the removal of malachite green from aqueous solutions. Copyright © 2014 Elsevier B.V. All rights reserved.

The importance of chemical components in cleaning agents for the indoor environment

DEFF Research Database (Denmark)

Vejrup, Karl Ventzel

In order to evaluate the importance for the indoor environment of chemical compounds in cleaning agents, the emission of VOCs (Volatile Organic Compounds) from 10 selected cleaning agents and the content of LAS (Linear AlkanbenzeneSulfonate) in dust samples from 7 buildings were investigated.The...... of LAS between smooth floored corridors to carpeted offices, are apparently also of importance for the LAS content in individual rooms.The amounts of LAS found in the dust samples indicated that LAS may be of importance for the indoor environment, but inadequate knowledge about how low concentrations...... investigation of VOC emission from 10 selected cleaning agents showed that it was useful to classify the VOCs into two groups: nonpolar VOCs and polar VOCs.The nonpolar VOCs consisted of several hundred different compounds, mainly terpenes typically used as perfume in cleaning agents. The nonpolar VOC...

UV curable aqueous dispersions for wood coatings

International Nuclear Information System (INIS)

Peeters, S.; Bleus, J.P.; Wang, Z.J.; Arceneaux, J. A.; Hall, J.

1999-01-01

In this paper the characterisation of aqueous dispersions of UV curable resins is described. Two types of dispersions were used: dispersions that are tacky after water evaporation and tack - free before cure dispersions. The physical and rheological properties of these products have been determined and the performance of these dispersions in various formulations, especially for wood applications has been studied. With these dispersions, it is possible to produce coatings having a good cure speed, good surface hardness and good solvent -, chemical - and water resistance

Atomic insight into tribochemical wear mechanism of silicon at the Si/SiO{sub 2} interface in aqueous environment: Molecular dynamics simulations using ReaxFF reactive force field

Energy Technology Data Exchange (ETDEWEB)

Wen, Jialin; Ma, Tianbao [State Key Laboratory of Tribology, Tsinghua University, Beijing 100084 (China); Zhang, Weiwei; Psofogiannakis, George; Duin, Adri C.T. van [Department of Mechanical and Nuclear Engineering, Pennsylvania State University, University Park, PA 16802 (United States); Chen, Lei; Qian, Linmao [Tribology Research Institute, Key Laboratory of Advanced Technologies of Materials (Ministry of Education), Southwest Jiaotong University, Chengdu 610031 (China); Hu, Yuanzhong [State Key Laboratory of Tribology, Tsinghua University, Beijing 100084 (China); Lu, Xinchun, E-mail: xclu@tsinghua.edu.cn [State Key Laboratory of Tribology, Tsinghua University, Beijing 100084 (China)

2016-12-30

Highlights: • New ReaxFF reactive force field was applied to simulate the tribochemical wear process at Si/SiO{sub 2} interface. • Wear of silicon atoms is due to the breaking of Si–O–Si bonds and Si–Si–O–Si bond chains on the Si substrate. • Interfacial bridge bonds play an important role during the tribochemical wear process. • Higher pressures applied to the silica phase can cause more Si atoms to be removed by forming more interfacial bridge bonds. • Water plays an opposing role in the wear process because of its both chemical and mechanical effects. - Abstract: In this work, the atomic mechanism of tribochemical wear of silicon at the Si/SiO{sub 2} interface in aqueous environment was investigated using ReaxFF molecular dynamics (MD) simulations. Two types of Si atom removal pathways were detected in the wear process. The first is caused by the destruction of stretched Si–O–Si bonds on the Si substrate surface and is assisted by the attachment of H atoms on the bridging oxygen atoms of the bonds. The other is caused by the rupture of Si–Si bonds in the stretched Si–Si–O–Si bond chains at the interface. Both pathways effectively remove Si atoms from the silicon surface via interfacial Si–O–Si bridge bonds. Our simulations also demonstrate that higher pressures applied to the silica phase can cause more Si atoms to be removed due to the formation of increased numbers of interfacial Si–O–Si bridge bonds. Besides, water plays a dual role in the wear mechanism, by oxidizing the Si substrate surface as well as by preventing the close contact of the surfaces. This work shows that the removal of Si atoms from the substrate is a result of both chemical reaction and mechanical effects and contributes to the understanding of tribochemical wear behavior in the microelectromechanical systems (MEMS) and Si chemical mechanical polishing (CMP) process.

Synthesis of 5'-CMP and 5'-dCMP in aqueous solution induced by low energy ions implantation

International Nuclear Information System (INIS)

Shi Huaibin; Shao Chunlin; Wang Xiangqin; Yu Zengliang

2001-01-01

Low energy N + ions produced by N 2 are accelerated and then introduced into aqueous solution to induce chemical reactions. This process avoids the need of a vacuum chamber and makes it possible to investigate the actions of low energy ions in aqueous solution. In order to explore prebiotic synthesis of nucleotide via reaction between low energy ions and aqueous solution under the primitive earth conditions, low energy N + is implanted into aqueous solution containing cytosine, D-ribose, D-2-deoxyribose and NH 4 H 2 PO 4 . It is confirmed that 5'-CMP and 5'-dCMP are produced by HPLC and 1 H-NMR analyses. The relation between yields of 5'-CMP and 5'-dCMP and irradiation time has been obtained

Journal of Chemical Sciences | Indian Academy of Sciences

Indian Academy of Sciences (India)

Home; Journals; Journal of Chemical Sciences. M K Guleria. Articles written in Journal of Chemical Sciences. Volume 116 Issue 1 January 2004 pp 33-38 Full Papers. A study of partial molar volumes of citric acid and tartaric acid in water and binary aqueous mixtures of ethanol at various temperatures · M L Parmar R K ...

Effective adsorption and collection of cesium from aqueous solution using graphene oxide grown on porous alumina

Science.gov (United States)

Entani, Shiro; Honda, Mitsunori; Shimoyama, Iwao; Li, Songtian; Naramoto, Hiroshi; Yaita, Tsuyoshi; Sakai, Seiji

2018-04-01

Graphene oxide (GO) with a large surface area was synthesized by the direct growth of GO on porous alumina using chemical vapor deposition to study the Cs adsorption mechanism in aqueous solutions. Electronic structure analysis employing in situ near-edge X-ray absorption fine structure spectroscopy and X-ray photoelectron spectroscopy measurements clarifies the Cs atoms bond via oxygen functional groups on GO in the aqueous solution. The Cs adsorption capacity was found to be as high as 650-850 mg g-1, which indicates that the GO/porous alumina acts as an effective adsorbent with high adsorption efficiency for radioactive nuclides in aqueous solutions.

1H NMR investigation of self-association of vanillin in aqueous solution

International Nuclear Information System (INIS)

Bogdan, Mircea; Floare, Calin G; PIrnau, Adrian

2009-01-01

A self-association of vanillin have been studied by 1 H NMR spectroscopy using the analysis of proton chemical shifts changes in aqueous solution as a function of concentration. The experimental results have been analysed using indefinite non-cooperative and cooperative models of molecular self-association, enabling the determination of equilibrium constants, parameters of cooperativity and the limiting values of vanillin proton chemical shifts in the complex. It was found that the dimer formation creates energetically favourable conditions for subsequent molecular association.

Transport of Iodine Species in the Terrestrial Environment

International Nuclear Information System (INIS)

Hu, Q; Moran, J E; Zhao, P

2003-01-01

The fate and transport of iodine in the environment is of interest because of the large production and release of 129 I from anthropogenic sources. 129 I has a long half-life (1.57 x 10 7 years) and exhibits complex geochemical behavior. The main source of 129 I in the environment is from nuclear fuel reprocessing facilities; about 2,600 kg from facilities in England and France. During 1944-1972, the Hanford Site in Washington state released about 260 kg 129 I. Iodine has a unique and complex chemistry in the environment, and its fate and transport in aqueous environments is dictated by its chemical speciation. In reducing environments, aqueous iodine usually occurs as the highly mobile iodide anion (I - ). Under more oxidizing conditions, iodine may be present as the more reactive iodate anion (IO 3 - ), which could lead to retarded transport through interaction with clays and organic matter. Co-existing iodine species (I - , IO 3 - , I 2 , and organoiodine compounds), in different proportions, has been reported in various terrestrial environments. However, there are conflicting reports regarding the environmental behavior of the different types of inorganic iodine and few publications on organic iodine compounds. This work examines the sorption and transport behavior of both inorganic and organic iodine species in geological samples from several complexes of the U.S. Department of Energy, where transport of radionuclides, including 129 I, may occur. Experiments on soils and sediments from the Savannah River Site in South Carolina, Oak Ridge Site in Tennessee, Hanford Site in Washington, Livermore Site 300 in California, and a surface soil from Santa Fe in New Mexico near Los Alamos were carried out. Samples from Savannah River Site and Livermore Site 300 are available from different depths. In addition, a surface soil of Wisconsin with a high amount of organic matter is utilized. This wide variety of sample types provides opportunities to examine the influence of

Hydrolysis of Methylal Catalyzed by Ion Exchange Resins in Aqueous Media

Science.gov (United States)

He, Gaoyin; Dai, Fangfang; Shi, Midong; Li, Qingsong; Yu, Yingmin

2018-05-01

In the present work, the chemical equilibrium and kinetics of methylal (PODE1) hydrolysis catalyzed by ion-exchange resin in aqueous solutions were investigated. The study covers temperatures between 333.15 and 363.15 K at various starting compositions covering (PODE1 + MeOH)/water molar ratio ranges from 0.5 to 1.5 in a time scale. On the basis of the experimental results, a mole fraction-based model of the chemical equilibrium and a pseudohomogeneous model are proposed to fit data based on true amount of monomeric formaldehyde. It has been demonstrated that the hydrolysis of PODE1 is slightly endothermic with the enthalpy 8.19 kJ/mol and the rate determining step. Finally, a feed-forward artificial neural networks (ANN) model is developed to model the concentration change of methanol in aqueous solutions. The results showed that the predicted data from designed ANN model were in good agreement with the experimental data with the coefficient ( R 2) of 0.98. Designed ANN provides a reliable method for modeling the hydrolysis reaction of methylal (PODE1).

The mobility of Nb in rutile-saturated NaCl- and NaF-bearing aqueous fluids from 1–6.5 GPa and 300–800 °C

Energy Technology Data Exchange (ETDEWEB)

Tanis, Elizabeth A.; Simon, Adam; Tschauner, Oliver; Chow, Paul; Xiao, Yuming; Burnley, Pamela; Cline II, Christopher J.; Hanchar, John M.; Pettke, Thomas; Shen, Guoyin; Zhao, Yusheng (MUN); (Michigan); (CIW); (UNLV); (Bern)

2015-08-26

Rutile (TiO₂) is an important host phase for high field strength elements (HFSE) such as Nb in metamorphic and subduction zone environments. The observed depletion of Nb in arc rocks is often explained by the hypothesis that rutile sequesters HFSE in the subducted slab and overlying sediment, and is chemically inert with respect to aqueous fluids evolved during prograde metamorphism in the forearc to subarc environment. However, field observations of exhumed terranes, and experimental studies, indicate that HFSE may be soluble in complex aqueous fluids at high pressure (i.e., >0.5 GPa) and moderate to high temperature (i.e., >300 °C). In this study, we investigated experimentally the mobility of Nb in NaCl- and NaF-bearing aqueous fluids in equilibrium with Nb-bearing rutile at pressure-temperature conditions applicable to fluid evolution in arc environments. Niobium concentrations in aqueous fluid at rutile saturation were measured directly by using a hydrothermal diamond-anvil cell (HDAC) and synchrotron X-ray fluorescence (SXRF) at 2.1 to 6.5 GPa and 300–500 °C, and indirectly by performing mass loss experiments in a piston-cylinder (PC) apparatus at ~1 GPa and 700–800 °C. The concentration of Nb in a 10 wt% NaCl aqueous fluid increases from 6 to 11 μg/g as temperature increases from 300 to 500 °C, over a pressure range from 2.1 to 2.8 GPa, consistent with a positive temperature dependence. The concentration of Nb in a 20 wt% NaCl aqueous fluid varies from 55 to 150 μg/g at 300 to 500 °C, over a pressure range from 1.8 to 6.4 GPa; however, there is no discernible temperature or pressure dependence. The Nb concentration in a 4 wt% NaF-bearing aqueous fluid increases from 180 to 910 μg/g as temperature increases from 300 to 500 °C over the pressure range 2.1 to 6.5 GPa. The data for the F-bearing fluid indicate that the Nb content of the fluid exhibits a dependence on temperature between 300 and 500 °C at ≥2 GPa, but there is no observed

Treatment of aqueous phase of bio-oil by granular activated carbon and evaluation of biogas production.

Science.gov (United States)

Shanmugam, Saravanan R; Adhikari, Sushil; Wang, Zhouhang; Shakya, Rajdeep

2017-01-01

Hydrothermal liquefaction of wet biomass such as algae is a promising thermochemical process for the production of bio-oil. Bio-oil aqueous phase generated during liquefaction process is rich in complex organics and can be utilized for biogas production following its pre-treatment with granular activated carbon. In our study, use of 30% activated carbon resulted in higher chemical oxygen demand (COD) reduction (53±0.3%) from aqueous phase. Higher CH 4 production (84±12mL/gCOD) was also observed in 30% carbon-treated aqueous phase fed cultures, whereas only 32±6mLCH 4 /gCOD was observed in control (non-carbon treated) cultures. The results from this study indicate that almost 67±0.3% initial COD of aqueous phase can be reduced using a combination of both carbon treatment and biogas production. This study shows that aqueous phase can be utilized for CH 4 production. Copyright © 2016 Elsevier Ltd. All rights reserved.

Smelling in chemically complex environments: an optofluidic Bragg fiber array for differentiation of methanol adulterated beverages.

Science.gov (United States)

Yildirim, Adem; Ozturk, Fahri Emre; Bayindir, Mehmet

2013-07-02

A novel optoelectronic nose for analysis of alcohols (ethanol and methanol) in chemically complex environments is reported. The cross-responsive sensing unit of the optoelectronic nose is an array of three distinct hollow-core infrared transmitting photonic band gap fibers, which transmit a specific band of IR light depending on their Bragg mirror structures. The presence of alcohol molecules in the optofluidic core quenches the fiber transmissions if there is an absorption band of the analyte overlapping with the transmission band of the fiber; otherwise they remain unchanged. The cumulative response data of the fiber array enables rapid, reversible, and accurate discrimination of alcohols in chemically complex backgrounds such as beer and fruit juice. In addition, we observed that humidity of the environment has no effect on the response matrix of the optoelectronic nose, which is rarely achieved in gas-sensing applications. Consequently, it can be reliably used in virtually any environment without precalibration for humidity or drying the analytes. Besides the discussed application in counterfeit alcoholic beverages, with its superior sensor parameters, this novel concept proves to be a promising contender for many other applications including food quality control, environmental monitoring, and breath analysis for disease diagnostics.

Measurement and modelling of the solubility of carbon dioxide in aqueous 1,8-p-menthane-diamine solution

International Nuclear Information System (INIS)

Li, Jie; Lin, Xiao; Ning, Peng-Ge; Cao, Hong-Bin; Zhang, Yi

2014-01-01

Highlights: • Solubility of CO 2 was measured in aqueous MDA up to 1.97 CO 2 loading. • KE model was used to correlate VLE data in α 1 regions separately. • Four chemical equilibrium constants were determined. • Sterically hindering effect for MDA in CO 2 absorption was demonstrated. • MDA absorption efficiency was compared with MEA, MDEA and PZ. -- Abstract: The solubility of CO 2 in aqueous 1,8-p-menthane-diamine (MDA) solution with substance concentrations of 0.625 and 1.25 mol · L −1 was measured at temperatures (313.15, 333.15 and 353.15) K with CO 2 partial pressures ranging from (0.55 to 776.0) kPa and CO 2 loading ranging from (0.120 to 1.97) mol CO 2 per mol MDA. The gas solubility results are expressed as the partial pressure of CO 2 (P CO 2 ) against its mole ratio, i.e.α CO 2 (mol CO 2 per mol MDA). The chemical absorption reaction and thermodynamic model have been proposed. The physicochemical Kent–Eisenberg model was used to correlate all the experimental results of the solubility of CO 2 in the aqueous MDA solutions under investigation. The chemical equilibrium constants and model parameters were determined by fitting the VLE data

First aqueous chemistry with Seaborgium (element 106)

International Nuclear Information System (INIS)

Schaedel, M.; Bruechle, W.; Schausten, B.; Schimpf, E.; Jaeger, E.; Wirth, G.; Guenther, R.; Gregorich, K.E.; Hoffman, D.C.; Lee, D.M.; Sylwester, E.R.; Nagame, Y.; Oura, Y.

1996-11-01

For the first time, chemical separations of element 106 (Seaborgium, Sg) were performed in aqueous solutions. The isotopes 265 Sg and 266 Sg were produced in the 248 Cm+ 22 Ne reaction at a beam energy of 121 MeV. The reaction products were continuously transported by a He(KCl)-jet to the computer-controlled liquid chromatography system ARCA. In 0.1 M HNO 3 /5 x 10 -4 M HF, Sg was found to be eluted within 10 s from 1.6 x 8 mm cation-exchange columns (Aminex A6, 17.5±2 μm) together with the hexavalent Mo- and W-ions, while hexavalent U-ions and tetravalent Zr-, Hf-, and element 104 ions were strongly retained on the column. Element 106 was detected by measuring correlated α-decays of the daughter isotopes 78-s 261 104 and 26-s 257 102. For the isotope 266 Sg, we have evidence for a spontaneous fission branch. It yields a partial spontaneous-fission half-life which is in agreement with recent theoretical predictions. The chemical results show that the most stable oxidation state of Sg in aqueous solution is +6, and that like its homologs Mo and W, Sg forms neutral or anionic oxo- or oxohalide-compounds under the present condition. In these first experiments, Sg exhibits properties very characteristic of group 6 elements, and does not show U-like properties. (orig.)

Efficient removal of Cd2+ from aqueous solutions using by-product of biodiesel production

International Nuclear Information System (INIS)

Ribeiro, Rita F.L.; Soares, Vitor C.; Costa, Letícia M.; Nascentes, Clésia C.

2012-01-01

Highlights: ► Sorbents were prepared from radish cake, a waste from biodiesel production. ► The chemical treatments used were simple, low-cost and enhanced the Cd 2+ sorption. ► The cadmium sorption process was evaluated by Freundlich and Langmuir models. ► Chemically treated radish cake is an excellent alternative for removal of Cd 2+ . ► Desorption studies demonstrated that the sorbent–metal interaction is reversible. - Abstract: In this study, chemically modified radish cake, a by-product of biodiesel production, was used to remove Cd 2+ from aqueous solutions. The chemical modification was carried out by treating the radish cake with citric acid (CRC), NaOH (NRC) or the combination of citric acid and NaOH (CNRC). The sorbents were characterized by elemental analysis, surface area analysis, infrared spectroscopy (FTIR), potentiometric titration (PT), scanning electron microscopy–energy dispersive spectroscopy (SEM–EDS), and thermogravimetric analysis (TGA). The effect of the chemical treatment and contact time on cadmium sorption was evaluated. The equilibrium data were analyzed using Freundlich and Langmuir models. The maximum sorption capacity obtained by the Langmuir isotherm was 58.5 mg/g and 64.10 mg/g for the CRC, and CNRC sorbents, respectively. Complete desorption of Cd 2+ was achieved using 0.1 mol/L HNO 3 . The results obtained demonstrate that chemically modified radish cake has potential as a sorbent for Cd 2+ removal from aqueous solutions.

An Integrated Chemical Environment to Support 21st-Century Toxicology.

Science.gov (United States)

Bell, Shannon M; Phillips, Jason; Sedykh, Alexander; Tandon, Arpit; Sprankle, Catherine; Morefield, Stephen Q; Shapiro, Andy; Allen, David; Shah, Ruchir; Maull, Elizabeth A; Casey, Warren M; Kleinstreuer, Nicole C

2017-05-25

SUMMARY : Access to high-quality reference data is essential for the development, validation, and implementation of in vitro and in silico approaches that reduce and replace the use of animals in toxicity testing. Currently, these data must often be pooled from a variety of disparate sources to efficiently link a set of assay responses and model predictions to an outcome or hazard classification. To provide a central access point for these purposes, the National Toxicology Program Interagency Center for the Evaluation of Alternative Toxicological Methods developed the Integrated Chemical Environment (ICE) web resource. The ICE data integrator allows users to retrieve and combine data sets and to develop hypotheses through data exploration. Open-source computational workflows and models will be available for download and application to local data. ICE currently includes curated in vivo test data, reference chemical information, in vitro assay data (including Tox21 TM /ToxCast™ high-throughput screening data), and in silico model predictions. Users can query these data collections focusing on end points of interest such as acute systemic toxicity, endocrine disruption, skin sensitization, and many others. ICE is publicly accessible at https://ice.ntp.niehs.nih.gov. https://doi.org/10.1289/EHP1759.

Evaluation of adsorption of uranium from aqueous solution using biochar materials

Energy Technology Data Exchange (ETDEWEB)

Correa, Wagner Clayton; Guilhen, Sabine Neusatz; Ortiz, Nilce; Fungaro, Denise Alves, E-mail: wcorrea@ipen.br, E-mail: snguilhen@ipen.br, E-mail: notriz@ipen.br, E-mail: dfungaro@ipen.br [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil)

2015-07-01

Uranium is present in the environment as a result of leaching from natural deposits and activities associated with nuclear fuel, copper mining, uranium mining, milling industry, etc. For the purpose of protecting ecosystem stability and public health, it is crucial to eliminate uranium from aqueous solutions before they are discharged into the environment. Various technologies have been used for removing U(VI) ions from aqueous systems. Among these methods, adsorption has been applied in wastewater because of simple operation procedure and high removal efficiency. Brazil is the largest producer of charcoal in the world, with nearly half of the woody biomass harvested for energy in Brazil being transformed into charcoal. Biochar exhibits a great potential as an adsorbent because of favorable physical/chemical surface characteristics. The objective of this work was to evaluate the adsorption potential of biochar materials prepared from pyrolysis of Bamboo (CBM), Eucalyptus (CEM) and Macauba (CMA) nuts for the removal of uranium from solutions. Adsorption experiments were carried out by a batch technique. Equilibrium adsorption experiments were performed by shaking a known amount of biochar material with 100 mL of U(VI) solution in Erlenmeyer flasks in a shaker at 120 rpm and room temperature (25 deg C) for 24 h. The adsorbent was separated by centrifugation from the solution. The U(VI) concentration remaining in the supernatant solution was determined using inductively coupled plasma optical emission spectrometry (ICP-OES). The influences of different experimental parameters such as solution pH and bioadsorbent dose on adsorption were investigated. The highest uranium adsorption capacity were obtained at pH 3.0 and 16 g/L biomass dosage for CMA, pH 3.0 and 12 g/L biomass dosage for CBM and pH 2.0 and 10 g/L biomass dosage for CEM. The results demonstrated that the biomass derived char can be used as a low-cost adsorbent for removal of uranium from wastewater. (author)

Evaluation of adsorption of uranium from aqueous solution using biochar materials

International Nuclear Information System (INIS)

Correa, Wagner Clayton; Guilhen, Sabine Neusatz; Ortiz, Nilce; Fungaro, Denise Alves

2015-01-01

Uranium is present in the environment as a result of leaching from natural deposits and activities associated with nuclear fuel, copper mining, uranium mining, milling industry, etc. For the purpose of protecting ecosystem stability and public health, it is crucial to eliminate uranium from aqueous solutions before they are discharged into the environment. Various technologies have been used for removing U(VI) ions from aqueous systems. Among these methods, adsorption has been applied in wastewater because of simple operation procedure and high removal efficiency. Brazil is the largest producer of charcoal in the world, with nearly half of the woody biomass harvested for energy in Brazil being transformed into charcoal. Biochar exhibits a great potential as an adsorbent because of favorable physical/chemical surface characteristics. The objective of this work was to evaluate the adsorption potential of biochar materials prepared from pyrolysis of Bamboo (CBM), Eucalyptus (CEM) and Macauba (CMA) nuts for the removal of uranium from solutions. Adsorption experiments were carried out by a batch technique. Equilibrium adsorption experiments were performed by shaking a known amount of biochar material with 100 mL of U(VI) solution in Erlenmeyer flasks in a shaker at 120 rpm and room temperature (25 deg C) for 24 h. The adsorbent was separated by centrifugation from the solution. The U(VI) concentration remaining in the supernatant solution was determined using inductively coupled plasma optical emission spectrometry (ICP-OES). The influences of different experimental parameters such as solution pH and bioadsorbent dose on adsorption were investigated. The highest uranium adsorption capacity were obtained at pH 3.0 and 16 g/L biomass dosage for CMA, pH 3.0 and 12 g/L biomass dosage for CBM and pH 2.0 and 10 g/L biomass dosage for CEM. The results demonstrated that the biomass derived char can be used as a low-cost adsorbent for removal of uranium from wastewater. (author)

Metal-free supercapacitor with aqueous electrolyte and low-cost carbon materials

Science.gov (United States)

Blomquist, Nicklas; Wells, Thomas; Andres, Britta; Bäckström, Joakim; Forsberg, Sven; Olin, Håkan

2017-01-01

Electric double-layer capacitors (EDLCs) or supercapacitors (SCs) are fast energy storage devices with high pulse efficiency and superior cyclability, which makes them useful in various applications including electronics, vehicles and grids. Aqueous SCs are considered to be more environmentally friendly than those based on organic electrolytes. Because of the corrosive nature of the aqueous environment, however, expensive electrochemically stable materials are needed for the current collectors and electrodes in aqueous SCs. This results in high costs for a given energy-storage capacity. To address this, we developed a novel low-cost aqueous SC using graphite foil as the current collector and a mix of graphene, nanographite, simple water-purification carbons and nanocellulose as electrodes. The electrodes were coated directly onto the graphite foil by using casting frames and the SCs were assembled in a pouch cell design. With this approach, we achieved a material cost reduction of greater than 90% while maintaining approximately one-half of the specific capacitance of a commercial unit, thus demonstrating that the proposed SC can be an environmentally friendly, low-cost alternative to conventional SCs.

Preparation of metallic nanoparticles by irradiation in starch aqueous solution

Energy Technology Data Exchange (ETDEWEB)

Nemţanu, Monica R., E-mail: monica.nemtanu@inflpr.ro; Braşoveanu, Mirela, E-mail: monica.nemtanu@inflpr.ro; Iacob, Nicuşor, E-mail: monica.nemtanu@inflpr.ro [National Institute for Lasers, Plasma and Radiation Physics, Electron Accelerators Laboratory, 409 Atomiştilor St., PO Box MG-36, 077125, Bucharest-Măgurele (Romania)

2014-11-24

Colloidal silver nanoparticles (AgNPs) were synthesized in a single step by electron beam irradiation reduction of silver ions in aqueous solution containing starch. The nanoparticles were characterized by spectrophotocolorimetry and compared with those obtained by chemical (thermal) reduction method. The results showed that the smaller sizes of AgNPs were prepared with higher yields as the irradiation dose increased. The broadening of particle size distribution occurred by increasing of irradiation dose and dose rate. Chromatic parameters such as b* (yellow-blue coordinate), C* (chroma) and ΔE{sub ab} (total color difference) could characterize the nanoparticles with respect of their concentration. Hue angle h{sup o} was correlated to the particle size distribution. Experimental data of the irradiated samples were also subjected to factor analysis using principal component extraction and varimax rotation in order to reveal the relation between dependent variables and independent variables and to reduce their number. The radiation-based method provided silver nanoparticles with higher concentration and narrower size distribution than those produced by chemical reduction method. Therefore, the electron beam irradiation is effective for preparation of silver nanoparticles using starch aqueous solution as dispersion medium.

Extraction and recovery of 2-butoxyethanol from aqueous phases containing high saline concentration

Directory of Open Access Journals (Sweden)

Katherine E. Manz

2016-09-01

Full Text Available Ethylene glycol monobutyl ether (EGBE, also known as 2-butoxyethanol (2-BE, has been identified as a contaminant in hydraulic fracturing fluids. In order to determine the presence of 2-BE in hydraulic fracturing chemical additives, a reliable method for recovering 2-BE from aqueous phases by liquid-liquid extraction combined with gas chromatography/mass spectrometry (GC/MS was established. The liquid-liquid extraction method was applied to samples matrices containing various amounts of salt. Using methylene chloride for liquid-liquid extraction in a sample to solvent ratio of 1:3, ≥99% 2-BE recovery may be achieved with less than 5% standard error. The limit of detection was determined to be 0.957 mg L−1 2-BE. Accuracy was determined to be 2.58% and precision was determined using the coefficient of variation, which was 3.5%. The method was used to recover 2-BE in a hydraulic fracturing chemical additive called Revert Flow and to quantify the weight percent of 2-BE in the chemical additive. Weight percent of two additional components of Revert Flow, D-limonene and 1-butoxy-2-propanol, were also determined. We also used the method to determine the abiotic of 2-BE in water, which was 5.55 days. The persistence of 2-BE in hydraulic fracturing fluid was also investigated and determined that 2-BE is more persistent in this environment.

Advanced biological treatment of aqueous effluent from the nuclear fuel cycle

International Nuclear Information System (INIS)

Pitt, W.W. Jr.; Hancher, C.W.; Patton, B.D.; Shumate, S.E. II.

1979-01-01

Many of the processing steps in the nuclear fuel cycle generate aqueous effluent streams bearing contaminants that can, because of their chemical or radiological properties, pose an environmental hazard. Concentration of such contaminants must be reduced to acceptable levels before the streams can be discharged to the environment. Two classes of contaminants, nitrates and heavy metals, are addressed in this study. Specific techniques aimed at the removal of nitrates and radioactive heavy metals by biological processes are being developed, tested, and demonstrated. Although cost comparisons between biological processes and current treatment methods are presented, these comparisons may be misleading because biological processes yield environmentally better end results which are difficult to price. However, a strong case is made for the use of biological processes for removing nitrates and heavy metals fron nuclear fuel cycle effluents. The estimated costs for these methods are as low as, or lower than, those for alternate processes. In addition, the resulting disposal products - nitrogen gas, CO 2 , and heavy metals incorporated into microorganisms - are much more ecologically desirable than the end products of other waste treatment methods

Flow of Aqueous Humor

Science.gov (United States)

... Home Flow of Aqueous Humor Flow of Aqueous Humor Most, but not all, forms of glaucoma are ... remains normal when some of the fluid (aqueous humor) produced by the eye's ciliary body flows out ...

Experimental study and modelling of physico-chemical mechanisms of clay-concrete interactions in the radioactive waste geological disposal context

International Nuclear Information System (INIS)

Dauzeres, A.

2010-09-01

These research works are carried out as part of the radioactive wastes geological disposal feasibility study. The current option developed by Andra, includes several cementitious materials in contact with the surrounding Callovo-Oxfordian (COX) (an argillite). Concretes and argillite present very different pore solutions (ionic concentrations and pH). Controlled by the concentrations differences, the aqueous species diffusion in the solids generates chemical and physical disturbances. This study is based on experimental, analytical and numerical works, in order to identify the mechanisms controlling the clayey environment influence on cementitious materials. (author)

Enzyme Stability and Activity in Non-Aqueous Reaction Systems: A Mini Review

Directory of Open Access Journals (Sweden)

Shihui Wang

2016-02-01

Full Text Available Enormous interest in biocatalysis in non-aqueous phase has recently been triggered due to the merits of good enantioselectivity, reverse thermodynamic equilibrium, and no water-dependent side reactions. It has been demonstrated that enzyme has high activity and stability in non-aqueous media, and the variation of enzyme activity is attributed to its conformational modifications. This review comprehensively addresses the stability and activity of the intact enzymes in various non-aqueous systems, such as organic solvents, ionic liquids, sub-/super-critical fluids and their combined mixtures. It has been revealed that critical factors such as Log P, functional groups and the molecular structures of the solvents define the microenvironment surrounding the enzyme molecule and affect enzyme tertiary and secondary structure, influencing enzyme catalytic properties. Therefore, it is of high importance for biocatalysis in non-aqueous media to elucidate the links between the microenvironment surrounding enzyme surface and its stability and activity. In fact, a better understanding of the correlation between different non-aqueous environments and enzyme structure, stability and activity can contribute to identifying the most suitable reaction medium for a given biotransformation.

γ-radiation induced tetracycline removal in an aqueous solution

International Nuclear Information System (INIS)

Zhou Fei; Guo Zhaobing; Zhang Chaozhi; Lin Mingyue; Wu Menglong; Zhao Yongfu

2012-01-01

Degradation effect of tetracycline (TC) by γ-radiation was investigated in an aqueous solution. The effects of initial concentrations of TC, pH values, combining with H 2 O 2 or CH 3 OH on degradation of TC were studied. Results showed that TC can be effectively degradated by γ-irradiation in an aqueous solution. Degradation of TC could be remarkably improved both in acid solution and alkaline solution, especially when pH value was 9.0. In addition, H 2 O 2 could gently promote degradation of TC induced by γ-radiation. While, CH 3 OH markedly restrained degradation of TC induced by γ-radiation. The degradation mechanism of TC was supposed by results of quantum chemical calculations and LC-MS. Results proved that degradation of TC induced by γ-radiation was mainly ascribed to · OH oxidation. (authors)

Kinetic modeling and simulation of PCE and TCE removal in aqueous solutions by electron-beam irradiation

International Nuclear Information System (INIS)

Nickelsen, Michael G.; Cooper, William J.; Secker, David A.; Rosocha, Louis A.; Kurucz, Charles N.; Waite, Thomas D.

2002-01-01

The irradiation of aqueous solutions of TCE and PCE using a high-energy electron-beam results in the rapid decomposition of both chemicals. It is known that both TCE and PCE react with the aqueous electron and the hydroxyl radical with bimolecular rate constants greater than 10 9 M -1 s -1 for each reaction. The fact that high-energy electrons produce significant concentrations of both e aq - and ·OH radicals in water makes it an effective process for the removal of TCE and PCE from aqueous solution. We have employed steady state and computer-based chemical kinetic models to simulate and better understand the chemistry and kinetics of e-beam irradiation when applied to natural water systems. Model results were benchmarked to experimental data, allowing for the optimization of the reaction of DOC with the ·OH radical. Values for the associated second-order reaction rate constant were found to be 2.5x10 8 and 4.0x10 8 M -1 s -1 , consistent with reported values for k OH,DOC . The models were also used to investigate the possibility of incomplete irradiation during treatment and the presence of proposed chemical reactions of by-products. The reactions involve radicals and radical-adduct species formed by the reaction of TCE and PCE with the hydroxyl radical

Modeling study on geological environment at Horonobe URL site

International Nuclear Information System (INIS)

Shimo, Michito; Yamamoto, Hajime; Kumamoto, Sou; Fujiwara, Yasushi; Ono, Makoto

2005-02-01

The Horonobe underground research project has been operated by Japan Nuclear Cycle Development Institute to study the geological environment of sedimentary rocks in deep underground. The objectives of this study are to develop a geological environment model, which incorporate the current findings and the data obtained through the geological, geophysical, and borehole investigations at Horonobe site, and to predict the hydrological and geochemical impacts caused by the URL shaft excavation to the surrounding area. A three-dimensional geological structure model was constructed, integrating a large-scale model (25km x 15km) and a high-resolution site-scale model (4km x 4km) that have been developed by JNC. The constructed model includes surface topography, geologic formations (such as Yuchi, Koetoi, Wakkanai, and Masuporo Formations), and two major faults (Ohomagari fault and N1 fault). In hydrogeological modeling, water-conductive fractures identified in Wakkanai Formation are modeled stochastically using EHCM (Equivalent Heterogeneous Continuum Model) approach, to represent hydraulic heterogeneity and anisotropy in the fractured rock mass. Numerical code EQUIV FLO (Shimo et al., 1996), which is a 3D unsaturated-saturated groundwater simulator capable of EHCM, was used to simulate the regional groundwater flow. We used the same model and the code to predict the transient hydrological changes caused by the shaft excavations. Geochemical data in the Horonobe site such as water chemistries, mineral compositions of rocks were collected and summarized into digital datasets. M3 (Multivariate, Mixing and Mass-balance) method developed by SKB (Laaksoharju et al., 1999) was used to identify waters of different origins, and to infer the mixing ratio of these end-members to reproduce each sample's chemistry. Thermodynamic code such as RHREEQC, GWB, and EQ3/6 were used to model chemical reactions that explain the present minerals and aqueous concentrations observed in the site

Aqueous chemistry of transactinides

International Nuclear Information System (INIS)

Schaedel, M.

2001-01-01

The aqueous chemistry of the first three transactinide elements is briefly reviewed with special emphasis given to recent experimental results. Short introductory remarks are discussing the atom-at-a-time situation of transactinide chemistry as a result of low production cross-sections and short half-lives. In general, on-line experimental techniques and, more specifically, the automated rapid chemistry apparatus, ARCA, are presented. Present and future developments of experimental techniques and resulting perspectives are outlined at the end. The central part is mainly focussing on hydrolysis and complex formation aspects of the superheavy group 4, 5, and 6 transition metals with F - and Cl - anions. Experimental results are compared with the behaviour of lighter homologous elements and with relativistic calculations. It will be shown that the chemical behaviour of the first superheavy elements is already strongly influenced by relativistic effects. While it is justified to place rutherfordium, dubnium and seaborgium in the Periodic Table of the Elements into group 4, 5 and 6, respectively, it is no more possible to deduce from this position in detail the chemical properties of these transactinide or superheavy elements. (orig.)

Chemical environment in cements

International Nuclear Information System (INIS)

Glasser, F.B.; Angus, M.J.; McCulloch, C.E.; Macphee, D.; Rahman, A.A.

1984-01-01

The alkalinity of Portland cements is responsible for precipitation and low solubility of many radwastes species. The sources of alkalinity are evaluated and two chemical models, based on experimental and theoretical data presented enabling the effect of blending agents (PFA, silica fume, etc.) to be evaluated and the alkalinity of the system at longer ages predicted. The data take the form of a solubility model which is applicable to non-heat generating wastes. 7 refs., 10 figs

Organic Redox Species in Aqueous Flow Batteries: Redox Potentials, Chemical Stability and Solubility

OpenAIRE

Kristina Wedege; Emil Dražević; Denes Konya; Anders Bentien

2016-01-01

Organic molecules are currently investigated as redox species for aqueous low-cost redox flow batteries (RFBs). The envisioned features of using organic redox species are low cost and increased flexibility with respect to tailoring redox potential and solubility from molecular engineering of side groups on the organic redox-active species. In this paper 33, mainly quinone-based, compounds are studied experimentially in terms of pH dependent redox potential, solubility and stability, combined ...

Phase equilibria in chemical reactive fluid mixtures

International Nuclear Information System (INIS)

Maurer, Gerd

2011-01-01

Downstream processing is a major part of nearly all processes in the chemical industries. Most separation processes in the chemical (and related) industries for fluid mixtures are based on phase equilibrium phenomena. The majority of separation processes can be modelled assuming that chemical reactions are of no (or very minor) importance, i.e., assuming that the overall speciation remains unchanged during a separation process. However, there are also a large number of industrially important processes where the thermodynamic properties are influenced by chemical reactions. The phase equilibrium of chemical reactive mixtures has been a major research area of the author's group over nearly 40 years. In this contribution, three examples from that research are discussed. The first example deals with the vapour phase dimerisation of carboxylic acids and its consequences on phase equilibrium phenomena and phase equilibrium predictions. The second example deals with the solubility of sour gases (e.g., carbon dioxide and sulfur dioxide) in aqueous solutions of ammonia. That topic has been of interest for many years, e.g., in relation with the gasification and liquefaction of coal and, more recently, with the removal of carbon dioxide from flue gas in the 'chilled ammonia process'. The third example deals with phase equilibrium phenomena in aqueous solutions of polyelectrolytes. It deals with the phenomenon of 'counter ion condensation' and methods to model the Gibbs free energy of such solutions.

Radiation Dose Measurement Using Chemical Dosimeters

International Nuclear Information System (INIS)

Lee, Min Sun; Kim, Eun Hee; Kim, Yu Ri; Han, Bum Soo

2010-01-01

The radiation dose can be estimated in various ways. Dose estimates can be obtained by either experiment or theoretical analysis. In experiments, radiation impact is assessed by measuring any change caused by energy deposition to the exposed matter, in terms of energy state (physical change), chemical production (chemical change) or biological abnormality (biological change). The chemical dosimetry is based on the implication that the energy deposited to the matter can be inferred from the consequential change in chemical production. The chemical dosimetry usually works on the sample that is an aqueous solution, a biological matter, or an organic substance. In this study, we estimated absorbed doses by quantitating chemical changes in matter caused by radiation exposure. Two different chemical dosimeters, Fricke and ECB (Ethanol-Chlorobenzene) dosimeter, were compared in several features including efficacy as dose indicator and effective dose range

Determination of particle size distribution of salt crystals in aqueous slurries

International Nuclear Information System (INIS)

Miller, A.G.

1977-10-01

A method for determining particle size distribution of water-soluble crystals in aqueous slurries is described. The salt slurries, containing sodium salts of predominantly nitrate, but also nitrite, sulfate, phosphate, aluminates, carbonate, and hydroxide, occur in radioactive, concentrated chemical waste from the reprocessing of nuclear fuel elements. The method involves separating the crystals from the aqueous phase, drying them, and then dispersing the crystals in a nonaqueous medium based on nitroethane. Ultrasonic treatment is important in dispersing the sample into its fundamental crystals. The dispersed crystals are sieved into appropriate size ranges for counting with a HIAC brand particle counter. A preponderance of very fine particles in a slurry was found to increase the difficulty of effecting complete dispersion of the crystals because of the tendency to retain traces of aqueous mother liquor. Traces of moisture produce agglomerates of crystals, the extent of agglomeration being dependent on the amount of moisture present. The procedure is applicable to particles within the 2 to 600 μm size range of the HIAC particle counter. The procedure provides an effective means for measuring particle size distribution of crystals in aqueous salt slurries even when most crystals are less than 10 μm in size. 19 figures

{sup 1}H NMR investigation of self-association of vanillin in aqueous solution

Energy Technology Data Exchange (ETDEWEB)

Bogdan, Mircea; Floare, Calin G; PIrnau, Adrian, E-mail: mircea.bogdan@itim-cj.r [National Institute for Research and Development of Isotopic and Molecular Technologies, 65-103 Donath, 400293 Cluj-Napoca (Romania)

2009-08-01

A self-association of vanillin have been studied by {sup 1}H NMR spectroscopy using the analysis of proton chemical shifts changes in aqueous solution as a function of concentration. The experimental results have been analysed using indefinite non-cooperative and cooperative models of molecular self-association, enabling the determination of equilibrium constants, parameters of cooperativity and the limiting values of vanillin proton chemical shifts in the complex. It was found that the dimer formation creates energetically favourable conditions for subsequent molecular association.

Chemical treatment of radioactive liquid wastes from medical applications; Tratamiento de desechos radiactivos liquidos de aplicaciones medicas

Energy Technology Data Exchange (ETDEWEB)

Castillo A, J

1996-12-31

This work is a study about the treatment of the most important radioactive liquid wastes from medical usages, generated in medical institutions with nuclear medicine services. The radionuclides take in account are {sup 32} P, {sup 35} S, {sup 125} I. The treatments developed and improved were specific chemical precipitations for each one of the radionuclides. This work involve to precipitate the radionuclide from the liquid waste, making a chemical compound insoluble in the aqueous phase, for this process the radionuclide stay in the precipitate, lifting the aqueous phase with a very low activity than the begin. The {sup 32} P precipitated in form of Ca{sub 3} {sup 32} P O{sub 4} and Ca{sub 2} H {sup 32} P O{sub 4} with a value for Decontamination Factor (DF) at the end of the treatment of 32. The {sup 35} S was precipitated in form of Ba{sup 35} SO{sub 4} with a DF of 26. The {sup 125} I was precipitated in Cu {sup 125} I to obtain a DF of 24. The results of the treatments are between the limits given for the International Atomic Energy Agency and the 10 Code of Federal Regulation 20, for the safety release at the environment. (Author).

Film Formation of Ag Nanoparticles at the Organic-Aqueous Liquid Interface

Science.gov (United States)

Vigorita, John

2005-03-01

A wet-chemical method to make films by spontaneous assembly of passivated Ag nanoparticles at the organic-aqueous liquid interface is presented. The interfacial films exhibit a blue opalescence, or in other cases a silvery color, and are characterized with transmission electron microscopy and UV-visible spectrophotometry. Measurements indicate that nanoparticles in the interfacial film can form superlattices and in some cases nanostructures.

Application of novel nanobiocomposites for removal of nickel(II) from aqueous environments: Equilibrium, kinetics, thermodynamics and ex-situ studies

Energy Technology Data Exchange (ETDEWEB)

Varghese, Lina Rose; Das, Devlina; Das, Nilanjana [VIT University, Tamil Nadu (India)

2016-01-15

The current study presents a novel approach for the removal of Ni(II) from aqueous environments using plant gum-based (PG) and clay-based (CL) nanobiocomposite (NBC) composed of ZnO nanoparticles and chitosan. Parameters like pH, contact time, temperature, initial metal concentration and adsorbent dosage were optimized. Under optimized conditions, maximum removal of Ni(II) was noted as 90.1% and 95.5% in the case of PG-NBC and CLNBC, respectively. Equilibrium studies suggested a homogeneous mode of adsorption. Good linearity was observed for the pseudo-first order kinetic model, suggesting a physical mode of adsorption. Thermodynamic studies showed an endothermic and spontaneous nature of adsorption. The mechanism was further elucidated using SEM, EDX, AFM and FT-IR analysis. Ex-situ studies showed a maximum Ni(II) removal of 87.34% from electroplating wastewater using CL-NBC in column mode. Regeneration studies suggested that CL-NBC could be consistently reused up to 4 cycles.

Indoor environment and children's health: recent developments in chemical, biological, physical and social aspects.

Science.gov (United States)

Le Cann, Pierre; Bonvallot, Nathalie; Glorennec, Philippe; Deguen, Séverine; Goeury, Christophe; Le Bot, Barbara

2011-12-01

Much research is being carried out into indoor exposure to harmful agents. This review focused on the impact on children's health, taking a broad approach to the indoor environment and including chemical, microbial, physical and social aspects. Papers published from 2006 onwards were reviewed, with regards to scientific context. Most of publications dealt with chemical exposure. Apart from the ongoing issue of combustion by-products, most of these papers concerned semi volatile organic compounds (such as phthalates). These may be associated with neurotoxic, reprotoxic or respiratory effects and may, therefore, be of particular interest so far as children are concerned. In a lesser extent, volatile organic compounds (such as aldehydes) that have mainly respiratory effects are still studied. Assessing exposure to metals is still of concern, with increasing interest in bioaccessibility. Most of the papers on microbial exposure focused on respiratory tract infections, especially asthma linked to allergens and bio-aerosols. Physical exposure includes noise and electromagnetic fields, and articles dealt with the auditory and non auditory effects of noise. Articles on radiofrequency electromagnetic fields mainly concerned questions about non-thermal effects and papers on extremely low-frequency magnetic fields focused on the characterization of exposure. The impact of the indoor environment on children's health cannot be assessed merely by considering the effect of these different types of exposure: this review highlights new findings and also discusses the interactions between agents in indoor environments and also with social aspects. Copyright © 2011 Elsevier GmbH. All rights reserved.

Allelopathic effects of aqueous extracts of Duranta repens on the germination and early growth of Lactuca sativa and Lycopersicum esculentum

Directory of Open Access Journals (Sweden)

Celia Maria Tur

2010-06-01

Full Text Available Allelopathy can be efined as any stimulatory or inhibitory effect by one plant on another through production of chemical compounds released into the environment. In this work, the effects of aqueous extracts of Duranta repens fresh, dried leaves and fruit on the germination and early growth of lettuce and tomato were investigated. Aqueous extracts at concentrations of 1%, 2% and 4% (w/v were prepared and characterized as to pH and osmotic potential. Phytochemical analysis of leaves and fruits was also carried out. Germination parameters consisted of the percentage of germination (PG, speed of germination (VG and speed of germination index (IVG. Initial growth was evaluated through length (root and shoot and mass (fresh, dried and water content. Extracts of fresh and dry leaves altered the tomato PG and leaf lettuce and tomato VG and IVG. All extracts affected the root length of the lettuce and tomato, as well as the length of the shoots and mass (dry and fresh of the lettuce. The phytochemical analysis revealed the presence of saponins and flavonoids. The action of the extracts was disassociated from any effect of osmotic potential and pH, indicating allelopathic activity.

Correlation of Chemical and Physical Test Data For the Environment Ageing of Coflon (PVDF). Revised