ChemAND - a system health monitor for plant chemistry

Energy Technology Data Exchange (ETDEWEB)

Turner, C.W.; Mitchel, G.R.; Tosello, G.; Balakrishnan, P.V.; McKay, G.; Thompson, M. [Atomic Energy of Canada Limited, Chalk River, Ontario (Canada); Dundar, Y.; Bergeron, M.; Laporte, R. [Hydro-Quebec, Groupe Chimie, Centrale Nucleaire Gentilly-2, Gentilly, Quebec (Canada)

2001-03-01

Effective management of plant systems throughout their lifetime requires much more than data acquisition and display - it requires that the plant's system health be continually monitored and managed. AECL has developed a System Health Monitor called ChemAND for CANDU plant chemistry. ChemAND, a Chemistry ANalysis and Diagnostic system, monitors key chemistry parameters in the heat transport system, moderator-cover gas, annulus gas, and the steam cycle during full-power operation. These parameters can be used as inputs to models that calculate the effect of current plant operating conditions on the present and future health of the system. Chemistry data from each of the systems are extracted on a regular basis from the plant's Historical Data Server and are sorted according to function, e.g., indicators for condenser in-leakage, air in-leakage, heavy water leakage into the annulus gas, fuel failure, etc. Each parameter is conveniently displayed and is trended along with its alarm limits. ChemAND currently includes two analytical models developed for the balance-of-plant. The first model, ChemSolv, calculates crevice chemistry conditions in the steam generator (SG) from either the SG blowdown chemistry conditions or from a simulated condenser leak. This information can be used by plant staff to evaluate the susceptibility of the SG tubes to crevice corrosion. ChemSolv also calculates chemistry conditions throughout the steam-cycle system as determined by the transport of volatile species such as ammonia, hydrazine, morpholine, and oxygen. The second model, SLUDGE, calculates the deposit loading and distribution in the SG as a function of time, based on concentrations of corrosion product in the final feedwater for both normal and start-up conditions. Operations personnel can use this information to predict where to inspect and when to clean. (author)

ChemAND - a system health monitor for plant chemistry

International Nuclear Information System (INIS)

Turner, C.W.; Mitchell, G.R.; Tosello, G.; Balakrishnan, P.V.; McKay, G.; Thompson, M.; Dundar, Y.; Bergeron, M.; Laporte, R.

2001-01-01

Effective management of plant systems throughout their lifetime requires much more than data acquisition and display-it requires that the plant's system health be continually monitored and managed. AECL has developed a System Health Monitor called ChemAND for CANDU plant chemistry. ChemAND, a Chemistry ANalysis and Diagnostic system, monitors key chemistry parameters in the heat transport system, moderator-cover gas, annulus gas, and the steam cycle during full-power operation. These parameters can be used as inputs to models that calculate the effect of current plant operating conditions on the present and future health of the system. Chemistry data from each of the systems are extracted on a regular basis from the plant's Historical Data Server and are sorted according to function, e.g., indicators for condenser in-leakage, air in-leakage, heavy water leakage into the annulus gas, fuel failure, etc. Each parameter is conveniently displayed and is trended along with its alarm limits. ChemAND currently includes two analytical models developed for the balance-of-plant. The first model, ChemSolv, calculates crevice chemistry conditions in the steam generator (SG) from either the SG blowdown chemistry conditions or from a simulated condenser leak. This information can be used by plant staff to evaluate the susceptibility of the SG tubes to crevice corrosion. ChemSolv also calculates chemistry conditions throughout the steam cycle system, as determined by the transport of volatile species such as ammonia, hydrazine, morpholine, and oxygen. The second model, SLUDGE, calculates the deposit loading and distribution in the SG as a function of time, based on concentrations of corrosion product in the final feedwater for both normal and start-up conditions. Operations personnel can use this information to predict where to inspect and when to clean. (author)

ChemAND - a system health monitor for plant chemistry

International Nuclear Information System (INIS)

Turner, C.W.; Mitchel, G.R.; Tosello, G.; Balakrishnan, P.V.; McKay, G.; Thompson, M.; Dundar, Y.; Bergeron, M.; Laporte, R.

2001-03-01

Effective management of plant systems throughout their lifetime requires much more than data acquisition and display - it requires that the plant's system health be continually monitored and managed. AECL has developed a System Health Monitor called ChemAND for CANDU plant chemistry. ChemAND, a Chemistry ANalysis and Diagnostic system, monitors key chemistry parameters in the heat transport system, moderator-cover gas, annulus gas, and the steam cycle during full-power operation. These parameters can be used as inputs to models that calculate the effect of current plant operating conditions on the present and future health of the system. Chemistry data from each of the systems are extracted on a regular basis from the plant's Historical Data Server and are sorted according to function, e.g., indicators for condenser in-leakage, air in-leakage, heavy water leakage into the annulus gas, fuel failure, etc. Each parameter is conveniently displayed and is trended along with its alarm limits. ChemAND currently includes two analytical models developed for the balance-of-plant. The first model, ChemSolv, calculates crevice chemistry conditions in the steam generator (SG) from either the SG blowdown chemistry conditions or from a simulated condenser leak. This information can be used by plant staff to evaluate the susceptibility of the SG tubes to crevice corrosion. ChemSolv also calculates chemistry conditions throughout the steam-cycle system as determined by the transport of volatile species such as ammonia, hydrazine, morpholine, and oxygen. The second model, SLUDGE, calculates the deposit loading and distribution in the SG as a function of time, based on concentrations of corrosion product in the final feedwater for both normal and start-up conditions. Operations personnel can use this information to predict where to inspect and when to clean. (author)

Development of a real time chemistry monitoring and diagnostic system

International Nuclear Information System (INIS)

Gaudreau, T.M.; Millett, P.J.; Bates, J.; Burns, G.

1998-01-01

EPRI has developed SMART chem WORKS, which is capable of operating as a real time chemistry diagnostic and monitoring system. A high degree of plant-specific customization is possible which allows discrimination between normal chemistry and off-normal conditions. The initial implementation of the system has been very successful. State of the art technology has been employed which allows remote administration of the system, a flexible, web page display of the output from the system and instant notification of excursions using email and pagers. The second installation of SMART chem WORKS is currently underway at a BWR plant, Grand Gulf. The SMART chem WORKS techniques can be applied to monitor PWR Primary Chemistry, PWR Secondary Chemistry and BWR steam cycle chemistry. A fossil steam cycle simulator will also be developed for application to fossil plants. (J.P.N.)

Disequilibrium Chemistry in the Solar Nebula and Early Solar System: Implications for the Chemistry of Comets

Science.gov (United States)

Fegley, Bruce, Jr.

1997-12-01

A growing body of observations demonstrates that comets, like the chondritic meteorites, are disequilibrium assemblages, whose chemistry and molecular composition cannot be explained solely on the basis of models of equilibrium condensation in the solar nebula. These observations include: (1) The coexistence of reduced (e.g., CH4 and organics) and oxidized (e.g., CO, CO2, and H2CO) carbon compounds observed in the gas and dust emitted by comet P/Halley; (2) The coexistence of reduced (e.g., NH3) and oxidized (e.g., N2) nitrogen compounds in the gas emitted by comet P/Halley; (3) The observation of large amounts of formaldehyde in the gas emitted by comet P/Halley (H2CO/H2O approx. 1.5 - 4%) and by comet Machholz (1988j). Formaldehyde would be rapidly destroyed by thermal processing in the solar nebula and must be formed by some disequilibrating process either in the solar nebula or in some presolar environment. (4) The observation of large amounts of the oxidized carbon gases CO and CO2 in comet P/Halley at levels far exceeding those predicted by chemical equilibrium models of solar nebula carbon chemistry. In fact, oxidized carbon gases (CO+ C02 + H2CO) are the most abundant volatile (after water vapor) emitted by comet P/Halley. (5) The observation of HCN, which is not a predicted low temperature condensate in the solar nebula (e.g., Lewis 1972), in comet P/Halley (e.g., Schloerb et al. 1987) and in comet Kohoutek. (6) The observation of S2, which is argued to be a parent molecule vaporized from the nucleus, in comet IRAS-Araki-Alcock (1983d) by A'Hearn et aL (1983) and Feldman et al. (1984). This molecule is not an equilibrium condensate in the solar nebula and must result from disequilibrium chemistry. (7) The deduction that organic grains (C-H-O-N particles) comprise about 30% of the dust emitted by comet P/Halley and that about 75% of the total carbon inventory of Halley is in these grains also implies substantial disequilibrium chemistry. (8) The deductions

The Role of Water Chemistry in Marine Aquarium Design: A Model System for a General Chemistry Class

Science.gov (United States)

Keaffaber, Jeffrey J.; Palma, Ramiro; Williams, Kathryn R.

2008-01-01

Water chemistry is central to aquarium design, and it provides many potential applications for discussion in undergraduate chemistry and engineering courses. Marine aquaria and their life support systems feature many chemical processes. A life support system consists of the entire recirculation system, as well as the habitat tank and all ancillary…

Structural material anomaly detection system using water chemistry data

International Nuclear Information System (INIS)

Asakura, Yamato; Nagase, Makoto; Uchida, Shunsuke; Ohsumi, Katsumi.

1992-01-01

The concept of an advanced water chemistry diagnosis system for detection of anomalies and preventive maintenance of system components is proposed and put into a concrete form. Using the analogy to a medical inspection system, analyses of water chemistry change will make it possible to detect symptoms of anomalies in system components. Then, correlations between water chemistry change and anomaly occurrence in the components of the BWR primary cooling system are analyzed theoretically. These fragmentary correlations are organized and reduced to an algorithm for the on-line diagnosis system using on-line monitoring data, pH and conductivity. By using actual plant data, the on-line diagnosis model system is verified to be applicable for early and automatic finding of the anomaly cause and for timely supply of much diagnostic information to plant operators. (author)

Chemistry and dynamics of the lower troposphere over North America and the North Atlantic Ocean in fall 1997 observed using an airborne UV DIAL system

Science.gov (United States)

Grant, William B.; Butler, Carolyn F.; Fenn, Marta A.; Kooi, Susan A.; Browell, Edward V.; Fuelberg, Henry

1998-01-01

The NASA Langley Research Center's airborne UV Differential Absorption Lidar (DIAL) system participated in the Subsonic Assessment, Ozone and Nitrogen Oxide Experiment (SONEX) mission from October 13 to November 12, 1997. The purpose of the mission was to study the upper troposphere/lower stratosphere in and near the North Atlantic flight corridor to better understand this region of the atmosphere and how civilian air travel in the corridor might be affecting the atmospheric chemistry. Bases of operations included NASA Ames, California (37.4 deg N, 122.1 deg W); Bangor, Maine (44.8 deg N, 68.8 deg W); Shannon, Ireland (52.7 deg N, 8.9 deg W); and Lajes, Terceira Island, Azores (38.8 deg N, 27.1 deg W). Since the UV DIAL system observes in the nadir as well as the zenith, aerosol and ozone data were obtained from near the Earth's surface to the lower stratosphere. A number of interesting features were noted relating to both chemistry and dynamics of the troposphere, which are reported here.

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

ChemANDTM - a system health monitor for plant chemistry

International Nuclear Information System (INIS)

Turner, C.W.; Mitchel, G.R.; Balakrishnan, P.V.; Tosello, G.

1999-07-01

Effective management of plant systems throughout their lifetime requires much more than data acquisition and display - it requires that the plant's system health be continually monitored and managed. AECL has developed a System Health Monitor called ChemAND for CANDU plant chemistry. ChemAND, a Chemistry ANalysis and Diagnostic system, monitors key chemistry parameters in the heat transport system, moderator-cover gas, annulus gas, and the steam cycle during full-power operation and feeds these parameters to models that calculate the effect of current plant operating conditions on the present and future health of the system. Chemistry data from each of the systems are extracted on a regular basis from the plant's Historical Data Server and are sorted according to function, e.g., indicators for condenser in-leakage, air in-leakage, heavy water leakage into the annulus gas, fuel failure, etc. Each parameter is conveniently displayed and is trended along with its alarm limits. ChemAND currently has two analytical models developed for the balance-of-plant. CHEMSOLV calculates crevice chemistry conditions in the steam generator (SG) from either the SG blowdown chemistry conditions or from a simulated condenser leak. This information will be used by operations personnel to evaluate the potential for SG tube corrosion in the crevice region. CHEMSOLV also calculates chemistry conditions throughout the steam-cycle system, as determined by the transport of volatile species such as ammonia, hydrazine, morpholine, and oxygen. A second model, SLUDGE, calculates the deposit loading in the SG as a function of time, based on concentrations of corrosion product in the final feedwater and plant operating conditions. Operations personnel can use this information to predict where to inspect and when to clean. In a future development, SLUDGE will track deposit loading arising from start-up crud bursts and will be used in conjunction with the thermohydraulics code, THIRST, to predict

Secondary-water chemistry at Millstone 2

International Nuclear Information System (INIS)

Putkey, T.A.; Pearl, W.L.; Sawochka, S.G.

1983-04-01

Secondary system chemistry and steam generator corrosion observations at the Millstone 2 pressurized water reactor are summarized. Condenser retubing and retrofit of full-flow condensate polishers led to significant improvements in steam generator blowdown chemistry following observations of denting after one year of operation at elevated blowdown chloride levels. Notwithstanding the chemistry improvements, denting has continued but at a much reduced rate. In addition, extensive pitting of the Alloy 600 tubing between the tubesheet and first support plate has been reported recently

Chemical Mechanisms and Their Applications in the Goddard Earth Observing System (GEOS) Earth System Model.

Science.gov (United States)

Nielsen, J Eric; Pawson, Steven; Molod, Andrea; Auer, Benjamin; da Silva, Arlindo M; Douglass, Anne R; Duncan, Bryan; Liang, Qing; Manyin, Michael; Oman, Luke D; Putman, William; Strahan, Susan E; Wargan, Krzysztof

2017-12-01

NASA's Goddard Earth Observing System (GEOS) Earth System Model (ESM) is a modular, general circulation model (GCM), and data assimilation system (DAS) that is used to simulate and study the coupled dynamics, physics, chemistry, and biology of our planet. GEOS is developed by the Global Modeling and Assimilation Office (GMAO) at NASA Goddard Space Flight Center. It generates near-real-time analyzed data products, reanalyses, and weather and seasonal forecasts to support research targeted to understanding interactions among Earth System processes. For chemistry, our efforts are focused on ozone and its influence on the state of the atmosphere and oceans, and on trace gas data assimilation and global forecasting at mesoscale discretization. Several chemistry and aerosol modules are coupled to the GCM, which enables GEOS to address topics pertinent to NASA's Earth Science Mission. This paper describes the atmospheric chemistry components of GEOS and provides an overview of its Earth System Modeling Framework (ESMF)-based software infrastructure, which promotes a rich spectrum of feedbacks that influence circulation and climate, and impact human and ecosystem health. We detail how GEOS allows model users to select chemical mechanisms and emission scenarios at run time, establish the extent to which the aerosol and chemical components communicate, and decide whether either or both influence the radiative transfer calculations. A variety of resolutions facilitates research on spatial and temporal scales relevant to problems ranging from hourly changes in air quality to trace gas trends in a changing climate. Samples of recent GEOS chemistry applications are provided.

Results of an interactively coupled atmospheric chemistry - general circulation model. Comparison with observations

Energy Technology Data Exchange (ETDEWEB)

Hein, R.; Dameris, M.; Schnadt, C. [and others

2000-01-01

An interactively coupled climate-chemistry model which enables a simultaneous treatment of meteorology and atmospheric chemistry and their feedbacks is presented. This is the first model, which interactively combines a general circulation model based on primitive equations with a rather complex model of stratospheric and tropospheric chemistry, and which is computational efficient enough to allow long-term integrations with currently available computer resources. The applied model version extends from the Earth's surface up to 10 hPa with a relatively high number (39) of vertical levels. We present the results of a present-day (1990) simulation and compare it to available observations. We focus on stratospheric dynamics and chemistry relevant to describe the stratospheric ozone layer. The current model version ECHAM4.L39(DLR)/CHEM can realistically reproduce stratospheric dynamics in the Arctic vortex region, including stratospheric warming events. This constitutes a major improvement compared to formerly applied model versions. However, apparent shortcomings in Antarctic circulation and temperatures persist. The seasonal and interannual variability of the ozone layer is simulated in accordance with observations. Activation and deactivation of chlorine in the polar stratospheric vortices and their interhemispheric differences are reproduced. The consideration of the chemistry feedback on dynamics results in an improved representation of the spatial distribution of stratospheric water vapor concentrations, i.e., the simulated meriodional water vapor gradient in the stratosphere is realistic. The present model version constitutes a powerful tool to investigate, for instance, the combined direct and indirect effects of anthropogenic trace gas emissions, and the future evolution of the ozone layer. (orig.)

The application of artificial intelligence chemistry diagnostic system to nuclear power plants

International Nuclear Information System (INIS)

Chen Meizhen

1996-01-01

By processing water chemistry data to diagnose sensor and equipment malfunctions in realtime, artificial intelligence chemistry diagnostic system helps to reduce the plant downtime due to steam generator tubing failures and other accidents. A typical processing system of water chemistry data is presented

Comet Halley and interstellar chemistry

International Nuclear Information System (INIS)

Snyder, L.E.

1989-01-01

How complex is the chemistry of the interstellar medium? How far does it evolve and how has it interacted with the chemistry of the solar system? Are the galactic chemical processes destroyed, preserved, or even enhanced in comets? Are biogenic molecules formed in space and have the formation mechanisms interacted in any way with prebiotic organic chemical processes on the early earth? Radio molecular studies of comets are important for probing deep into the coma and nuclear region and thus may help answer these questions. Comets are believed to be pristine samples of the debris left from the formation of the solar system and may have been the carrier between interstellar and terrestrial prebiotic chemistries. Recent observations of Comet Halley and subsequent comets have given the author an excellent opportunity to study the relationship between interstellar molecular chemistry and cometary chemistry

Chemistry management of generator stator water system

International Nuclear Information System (INIS)

Sankar, N.; Santhanam, V.S.; Ayyar, S.R.; Umapathi, P.; Jeena, P.; Hari Krishna, K.; Rajendran, D.

2015-01-01

Chemistry management of water cooled turbine generators with hollow copper conductors is very essential to avoid possible re-deposition of released copper oxides on stator windings, which otherwise may cause flow restrictions by partial plugging of copper hollow conductors and impair cooling. The phenomenon which is of more concern is not strictly of corrosion failure, but the consequences caused by the re-deposition of copper oxides that were formed by reaction of copper with oxygen. There were also some Operating experiences (OE) related to Copper oxide fouling in the system resulting shut down/off-line of plants. In Madras Atomic Power Station (MAPS), the turbine generator stator windings are of Copper material and cooled by demineralized water passing through the hollow conductors. The heated water from the stator is cooled by process water. A part of the stator water is continuously passed through a mixed bed polisher to remove any soluble ionic contaminants to maintain the purity of system water and also maintain copper content as low as possible to avoid possible re-deposition of released copper oxides on stator windings. The chemistry regime employed is neutral water with dissolved oxygen content between 1000-2000 ppb. Chemistry management of Stator water system was reviewed to know its effectiveness. Detailed chemical analyses of the spent resins from the polishing unit were carried out in various campaigns which indicated only part exhaustion of the polishing unit resins and reasonably low levels of copper entrapment in the resins, thus highlighting the effectiveness of the in-practice chemistry regime. (author)

ALMA observations of Titan's atmospheric chemistry and seasonal variation

Science.gov (United States)

Cordiner, Martin

2017-04-01

Titan is the largest moon of Saturn, with a thick (1.45 bar) atmosphere composed primarily of molecular nitrogen and methane. Photochemistry in Titan's upper atmosphere results in the production of a wide range of organic molecules, including hydrocarbons, nitriles and aromatics, some of which could be of pre-biotic relevance. Thus, we obtain insights into the possible molecular inventories of primitive (reducing) planetary atmospheres. Titan's atmosphere also provides a unique laboratory for testing our understanding of fundamental processes involving the chemistry and spectroscopy of complex organic molecules. In this talk, results will be presented from our studies using the Atacama Large Millimeter/submillimeter Array (ALMA) during the period 2012-2015, focussing in particular on the detection and mapping of emission from various nitrile species. By combining data from multiple ALMA observations, our spectra have reached an unprecedented sensitivity level, enabling the first spectroscopic detection and mapping of C2H3CN (vinyl cyanide) on Titan. Liquid-phase simulations of Titan's seas indicate that vinyl cyanide molecules could combine to form vesicle membranes (similar to the cells of terrestrial biology), and the astrobiological implications of this discovery will be discussed. Furthermore, ALMA observations provide instantaneous snapshot mapping of Titan's entire Earth-facing hemisphere, for gases inaccessible to previous instruments. Combined with complementary data obtained from the Cassini Saturn orbiter, as well as theoretical models and laboratory studies, our observed, seasonally variable, spatially resolved abundance patterns are capable of providing new insights into photochemical production and transport in primitive planetary atmospheres in the Solar System and beyond.

Results of an interactively coupled atmospheric chemistry – general circulation model: Comparison with observations

Directory of Open Access Journals (Sweden)

R. Hein

Full Text Available The coupled climate-chemistry model ECHAM4.L39(DLR/CHEM is presented which enables a simultaneous treatment of meteorology and atmospheric chemistry and their feedbacks. This is the first model which interactively combines a general circulation model with a chemical model, employing most of the important reactions and species necessary to describe the stratospheric and upper tropospheric ozone chemistry, and which is computationally fast enough to allow long-term integrations with currently available computer resources. This is possible as the model time-step used for the chemistry can be chosen as large as the integration time-step for the dynamics. Vertically the atmosphere is discretized by 39 levels from the surface up to the top layer which is centred at 10 hPa, with a relatively high vertical resolution of approximately 700 m near the extra-tropical tropopause. We present the results of a control simulation representing recent conditions (1990 and compare it to available observations. The focus is on investigations of stratospheric dynamics and chemistry relevant to describe the stratospheric ozone layer. ECHAM4.L39(DLR/CHEM reproduces main features of stratospheric dynamics in the arctic vortex region, including stratospheric warming events. This constitutes a major improvement compared to earlier model versions. However, apparent shortcomings in Antarctic circulation and temperatures persist. The seasonal and interannual variability of the ozone layer is simulated in accordance with observations. Activation and deactivation of chlorine in the polar stratospheric vortices and their inter-hemispheric differences are reproduced. Considering methane oxidation as part of the dynamic-chemistry feedback results in an improved representation of the spatial distribution of stratospheric water vapour concentrations. The current model constitutes a powerful tool to investigate, for instance, the combined direct and indirect effects of anthropogenic

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

Science.gov (United States)

Lehn, Jean-Marie

2012-01-01

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

Dynamic combinatorial libraries: from exploring molecular recognition to systems chemistry.

Science.gov (United States)

Li, Jianwei; Nowak, Piotr; Otto, Sijbren

2013-06-26

Dynamic combinatorial chemistry (DCC) is a subset of combinatorial chemistry where the library members interconvert continuously by exchanging building blocks with each other. Dynamic combinatorial libraries (DCLs) are powerful tools for discovering the unexpected and have given rise to many fascinating molecules, ranging from interlocked structures to self-replicators. Furthermore, dynamic combinatorial molecular networks can produce emergent properties at systems level, which provide exciting new opportunities in systems chemistry. In this perspective we will highlight some new methodologies in this field and analyze selected examples of DCLs that are under thermodynamic control, leading to synthetic receptors, catalytic systems, and complex self-assembled supramolecular architectures. Also reviewed are extensions of the principles of DCC to systems that are not at equilibrium and may therefore harbor richer functional behavior. Examples include self-replication and molecular machines.

Achieving biopolymer synergy in systems chemistry.

Science.gov (United States)

Bai, Yushi; Chotera, Agata; Taran, Olga; Liang, Chen; Ashkenasy, Gonen; Lynn, David G

2018-05-31

Synthetic and materials chemistry initiatives have enabled the translation of the macromolecular functions of biology into synthetic frameworks. These explorations into alternative chemistries of life attempt to capture the versatile functionality and adaptability of biopolymers in new orthogonal scaffolds. Information storage and transfer, however, so beautifully represented in the central dogma of biology, require multiple components functioning synergistically. Over a single decade, the emerging field of systems chemistry has begun to catalyze the construction of mutualistic biopolymer networks, and this review begins with the foundational small-molecule-based dynamic chemical networks and peptide amyloid-based dynamic physical networks on which this effort builds. The approach both contextualizes the versatile approaches that have been developed to enrich chemical information in synthetic networks and highlights the properties of amyloids as potential alternative genetic elements. The successful integration of both chemical and physical networks through β-sheet assisted replication processes further informs the synergistic potential of these networks. Inspired by the cooperative synergies of nucleic acids and proteins in biology, synthetic nucleic-acid-peptide chimeras are now being explored to extend their informational content. With our growing range of synthetic capabilities, structural analyses, and simulation technologies, this foundation is radically extending the structural space that might cross the Darwinian threshold for the origins of life as well as creating an array of alternative systems capable of achieving the progressive growth of novel informational materials.

Integrating observational and modelling systems for the management of the Great Barrier Reef

Science.gov (United States)

Baird, M. E.; Jones, E. M.; Margvelashvili, N.; Mongin, M.; Rizwi, F.; Robson, B.; Schroeder, T.; Skerratt, J.; Steven, A. D.; Wild-Allen, K.

2016-02-01

Observational and modelling systems provide two sources of knowledge that must be combined to provide a more complete view than either observations or models alone can provide. Here we describe the eReefs coupled hydrodynamic, sediment and biogeochemical model that has been developed for the Great Barrier Reef; and the multiple observations that are used to constrain the model. Two contrasting examples of model - observational integration are highlighted. First we explore the carbon chemistry of the waters above the reef, for which observations are accurate, but expensive and therefore sparse, while model behaviour is highly skilful. For carbon chemistry, observations are used to constrain model parameterisation and quantify model error, with the model output itself providing the most useable knowledge for management purposes. In contrast, ocean colour provides inaccurate, but cheap and spatially and temporally extensive observations. Thus observations are best combined with the model in a data assimilating framework, where a custom-designed optical model has been developed for the purposes of incorporating ocean colour observations. The future management of Great Barrier Reef water quality will be based on an integration of observing and modelling systems, providing the most robust information available.

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

International Nuclear Information System (INIS)

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

2010-01-01

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

Impacts of bromine and iodine chemistry on tropospheric OH and HO2: comparing observations with box and global model perspectives

Science.gov (United States)

Stone, Daniel; Sherwen, Tomás; Evans, Mathew J.; Vaughan, Stewart; Ingham, Trevor; Whalley, Lisa K.; Edwards, Peter M.; Read, Katie A.; Lee, James D.; Moller, Sarah J.; Carpenter, Lucy J.; Lewis, Alastair C.; Heard, Dwayne E.

2018-03-01

The chemistry of the halogen species bromine and iodine has a range of impacts on tropospheric composition, and can affect oxidising capacity in a number of ways. However, recent studies disagree on the overall sign of the impacts of halogens on the oxidising capacity of the troposphere. We present simulations of OH and HO2 radicals for comparison with observations made in the remote tropical ocean boundary layer during the Seasonal Oxidant Study at the Cape Verde Atmospheric Observatory in 2009. We use both a constrained box model, using detailed chemistry derived from the Master Chemical Mechanism (v3.2), and the three-dimensional global chemistry transport model GEOS-Chem. Both model approaches reproduce the diurnal trends in OH and HO2. Absolute observed concentrations are well reproduced by the box model but are overpredicted by the global model, potentially owing to incomplete consideration of oceanic sourced radical sinks. The two models, however, differ in the impacts of halogen chemistry. In the box model, halogen chemistry acts to increase OH concentrations (by 9.8 % at midday at the Cape Verde Atmospheric Observatory), while the global model exhibits a small increase in OH at the Cape Verde Atmospheric Observatory (by 0.6 % at midday) but overall shows a decrease in the global annual mass-weighted mean OH of 4.5 %. These differences reflect the variety of timescales through which the halogens impact the chemical system. On short timescales, photolysis of HOBr and HOI, produced by reactions of HO2 with BrO and IO, respectively, increases the OH concentration. On longer timescales, halogen-catalysed ozone destruction cycles lead to lower primary production of OH radicals through ozone photolysis, and thus to lower OH concentrations. The global model includes more of the longer timescale responses than the constrained box model, and overall the global impact of the longer timescale response (reduced primary production due to lower O3 concentrations

Non-equilibrium chemistry in the solar nebula and early solar system: Implications for the chemistry of comets

Science.gov (United States)

Fegley, Bruce, Jr.

1989-01-01

Theoretical models of solar nebula and early solar system chemistry which take into account the interplay between chemical, physical, and dynamical processes have great utility for deciphering the origin and evolution of the abundant chemically reactive volatiles (H, O, C, N, S) observed in comets. In particular, such models are essential for attempting to distinguish between presolar and solar nebula products and for quantifying the nature and duration of nebular and early solar system processing to which the volatile constituents of comets have been subjected. The diverse processes and energy sources responsible for chemical processing in the solar nebula and early solar system are discussed. The processes considered include homogeneous and heterogeneous thermochemical and photochemical reactions, and disequilibration resulting from fluid transport, condensation, and cooling whenever they occur on timescales shorter than those for chemical reactions.

Description and Evaluation of IAP-AACM: A Global-regional Aerosol Chemistry Model for the Earth System Model CAS-ESM

Science.gov (United States)

Wei, Y.; Chen, X.

2017-12-01

We present a first description and evaluation of the IAP Atmospheric Aerosol Chemistry Model (IAP-AACM) which has been integrated into the earth system model CAS-ESM. In this way it is possible to research into interaction of clouds and aerosol by its two-way coupling with the IAP Atmospheric General Circulation Model (IAP-AGCM). The model has a nested global-regional grid based on the Global Environmental Atmospheric Transport Model (GEATM) and the Nested Air Quality Prediction Modeling System (NAQPMS). The AACM provides two optional gas chemistry schemes, the CBM-Z gas chemistry as well as a sulfur oxidize box designed specifically for the CAS-ESM. Now the model driven by AGCM has been applied to a 1-year simulation of tropospheric chemistry both on global and regional scales for 2014, and been evaluated against various observation datasets, including aerosol precursor gas concentration, aerosol mass and number concentrations. Furthermore, global budgets in AACM are compared with other global aerosol models. Generally, the AACM simulations are within the range of other global aerosol model predictions, and the model has a reasonable agreement with observations of gases and particles concentration both on global and regional scales.

Chemistry and climate change

International Nuclear Information System (INIS)

Bernier, Jean-Claude; Brasseur, Guy; Brechet, Yves; Candel, Sebastien; Cazenave, Anny; Courtillot, Vincent; Fontecave, Marc; Garnier, Emmanuel; Goebel, Philippe; Legrand, Jack; Legrand, Michel; Le Treut, Herve; Mauberger, Pascal; Dinh-Audouin, Minh-Thu; Olivier, Daniele; Rigny, Paul; Bigot, Bernard

2016-01-01

In its first part, this collective publication addresses the decennial and centuries-old variations of climate: perspectives and implications of climate change for the 21. century, questions remaining about the understanding of climate change from its sources to its modelling, extreme climate variations and societies during the last millennium. The contributions of the second part outline how chemistry is a tool to study climate change: ice chemistry as an archive of our past environment, observations and predictions on sea level rise, relationship between atmosphere chemistry and climate. The third set of contributions discusses the transformation of the energy system for a cleaner atmosphere and the management of the climate risk: the chemical processing of CO_2, actions of chemical companies to support the struggle against climate change, relationship between barrel price and renewable energies, relationship between grid complexity and green energy. The last part outlines the role chemistry can have to be able to do without fossil fuels: chemistry in front of challenges of transformation of the energy system, the use of micro-algae, the use of hydrogen as a vector of energy transition

ChemAND{sup TM} - a system health monitor for plant chemistry

Energy Technology Data Exchange (ETDEWEB)

Turner, C.W.; Mitchel, G.R.; Balakrishnan, P.V.; Tosello, G

1999-07-01

Effective management of plant systems throughout their lifetime requires much more than data acquisition and display - it requires that the plant's system health be continually monitored and managed. AECL has developed a System Health Monitor called ChemAND for CANDU plant chemistry. ChemAND, a Chemistry ANalysis and Diagnostic system, monitors key chemistry parameters in the heat transport system, moderator-cover gas, annulus gas, and the steam cycle during full-power operation and feeds these parameters to models that calculate the effect of current plant operating conditions on the present and future health of the system. Chemistry data from each of the systems are extracted on a regular basis from the plant's Historical Data Server and are sorted according to function, e.g., indicators for condenser in-leakage, air in-leakage, heavy water leakage into the annulus gas, fuel failure, etc. Each parameter is conveniently displayed and is trended along with its alarm limits. ChemAND currently has two analytical models developed for the balance-of-plant. CHEMSOLV calculates crevice chemistry conditions in the steam generator (SG) from either the SG blowdown chemistry conditions or from a simulated condenser leak. This information will be used by operations personnel to evaluate the potential for SG tube corrosion in the crevice region. CHEMSOLV also calculates chemistry conditions throughout the steam-cycle system, as determined by the transport of volatile species such as ammonia, hydrazine, morpholine, and oxygen. A second model, SLUDGE, calculates the deposit loading in the SG as a function of time, based on concentrations of corrosion product in the final feedwater and plant operating conditions. Operations personnel can use this information to predict where to inspect and when to clean. In a future development, SLUDGE will track deposit loading arising from start-up crud bursts and will be used in conjunction with the thermohydraulics code, THIRST, to

Unconventional Constraints on Nitrogen Chemistry using DC3 Observations and Trajectory-based Chemical Modeling

Science.gov (United States)

Shu, Q.; Henderson, B. H.

2017-12-01

Chemical transport models underestimate nitrogen dioxide observations in the upper troposphere (UT). Previous research in the UT succeeded in combining model predictions with field campaign measurements to demonstrate that the nitric acid formation rate (HO + NO2 → HNO3 (R1)) is overestimated by 22% (Henderson et al., 2012). A subsequent publication (Seltzer et al., 2015) demonstrated that single chemical constraint alters ozone and aerosol formation/composition. This work attempts to replicate previous chemical constraints with newer observations and a different modeling framework. We apply the previously successful constraint framework to Deep Convection Clouds and Chemistry (DC3). DC3 is a more recent field campaign where simulated nitrogen imbalances still exist. Freshly convected air parcels, identified in the DC3 dataset, as initial coordinates to initiate Lagrangian trajectories. Along each trajectory, we simulate the air parcel chemical state. Samples along the trajectories will form ensembles that represent possible realizations of UT air parcels. We then apply Bayesian inference to constrain nitrogen chemistry and compare results to the existing literature. Our anticipated results will confirm overestimation of HNO3 formation rate in previous work and provide further constraints on other nitrogen reaction rate coefficients that affect terminal products from NOx. We will particularly focus on organic nitrate chemistry that laboratory literature has yet to fully address. The results will provide useful insights into nitrogen chemistry that affects climate and human health.

Water chemistry of the JMTR IASCC irradiation loop system

International Nuclear Information System (INIS)

Hanawa, Satoshi; Oogiyanagi, Jin; Mori, Yuichiro; Saito, Junichi; Tsukada, Takashi

2006-01-01

Irradiation assisted stress corrosion cracking (IASCC) is recognized as an important degradation issue of the core-internal material for aged Boiling Water Reactors (BWRs). Therefore, irradiation loop system has been developed and installed in the Japan Materials Testing Reactor to perform the IASCC irradiation test. In the IASCC irradiation test, water chemistry of irradiation field is one of the most important key parameters because it affects initiation and propagation of cracks. This paper summarizes the measurement and evaluation method of water chemistry of IASCC irradiation loop system. (author)

Shutdown Chemistry Process Development for PWR Primary System

Energy Technology Data Exchange (ETDEWEB)

Sung, K.B. [Korea Electric Power Research Institute, Taejeon (Korea, Republic of)

1997-12-31

This study report presents the shutdown chemistry of PWR primary system to reduce and remove the radioactive corrosion products which were deposited on the nuclear fuel rods surface and the outside of core like steam generator channel head, RCS pipings etc. The major research results are the follows ; the deposition radioactive mechanism of corrosion products, the radiochemical composition, the condition of coolant chemistry to promote the dissolution of radioactive cobalt and nickel ferrite, the control method of dissolved hydrogen concentration in the coolant by the mechanical and chemical methods. The another part of study is to investigate the removal characteristics of corrosion product ions and particles by the demineralization system to suggest the method which the system could be operate effectively in shut-down purification period. (author). 19 refs., 25 figs., 48 tabs.

Chemistry monitoring and diagnostic system at NPP Jaslovske Bohunice

International Nuclear Information System (INIS)

Smiesko, Ivan; Figedy, Stefan

2012-09-01

This paper provides a description of water chemistry monitoring and diagnostic system installed at Slovak NPP Jaslovske Bohunice. System has complex architecture and covers laboratory data, chemistry and radiochemistry on-line monitoring data, process data acquisition and processing and diagnostics. Pre-filtered data from process computer and chemistry on-line monitors are recorded together with laboratory data in the ORACLE-based information system CHEMIS with many presentation and processing features. Brief information is given about the basic features of a newly developed diagnostic system for early detection and identification of anomalies incoming in the water chemistry regime of the primary and secondary circuit of VVER-440 type unit. This system, called SACHER (System of Analysis of Chemical Regime) has been installed within the major modernization project at the NPP Bohunice in the Slovak Republic. System SACHER has been developed fully in MATLAB environment. Diagnostic system works exclusively with available on-line data as an operation personnel support application allowing effective response to adverse chemistry events/trends. The availability of prompt information about the chemical conditions of the primary and secondary circuit is very important in order to prevent the undue corrosion and deposit build-up processes within the plant systems. The typical chemical information systems that exist and work at the NPPs give the user values of the measured quantities together with their time trends and other derived values. It is then the experienced user's role to recognize the situation the monitored process is in and make the subsequent decisions and take the measures. The SACHER system, based on the computational intelligence techniques, inserts the elements of intelligence into the overall chemical information system. It has the modular structure with the following most important modules: - normality module- its aim is to recognize that the process

A Model of Titan-like Chemistry to Connect Experiments and Cassini Observations

Science.gov (United States)

Raymond, Alexander W.; Sciamma-O’Brien, Ella; Salama, Farid; Mazur, Eric

2018-02-01

A numerical model is presented for interpreting the chemical pathways that lead to the experimental mass spectra acquired in the Titan Haze Simulation (THS) laboratory experiments and for comparing the electron density and temperature of the THS plasma to observations made at Titan by the Cassini spacecraft. The THS plasma is a pulsed glow-discharge experiment designed to simulate the reaction of N2/CH4-dominated gas in Titan's upper atmosphere. The transient, one-dimensional model of THS chemistry tracks the evolution of more than 120 species in the direction of the plasma flow. As the minor species C2H2 and C2H4 are added to the N2/CH4-based mixture, the model correctly predicts the emergence of reaction products with up to five carbon atoms in relative abundances that agree well with measured mass spectra. Chemical growth in Titan's upper atmosphere transpires through ion–neutral and neutral–neutral chemistry, and the main reactions involving a series of known atmospheric species are retrieved from the calculation. The model indicates that the electron density and chemistry are steady during more than 99% of the 300 μs long discharge pulse. The model also suggests that the THS ionization fraction and electron temperature are comparable to those measured in Titan's upper atmosphere. These findings reaffirm that the THS plasma is a controlled analog environment for studying the first and intermediate steps of chemistry in Titan's upper atmosphere.

Some observations on hydrazine and ammonia based chemistries in PWRs

International Nuclear Information System (INIS)

Brunning, J.; Cake, P.; Harper, A.; Sims, H.E.

1997-01-01

This paper presents a comparison of factors related to activated corrosion product transport in pressurized water reactors (PWRs) operating hydrazine and ammonia-based chemistries. Measurements of the concentrations of corrosion products in the coolant of reactors operating both chemistry regimes are compared under steady operation and during shutdown. These data allow some comparisons to be drawn of corrosion product transport under ammonia and hydrazine based chemistries. Experimental measurements of electrochemical potential under PWR conditions in the presence and absence of radiation fields and under hydrazine and ammonia chemistries are also presented. (author). 4 refs, 5 figs, 2 tabs

Some observations on hydrazine and ammonia based chemistries in PWRs

Energy Technology Data Exchange (ETDEWEB)

Brunning, J; Cake, P; Harper, A; Sims, H E [AEA Technology, Oxon (United Kingdom)

1997-02-01

This paper presents a comparison of factors related to activated corrosion product transport in pressurized water reactors (PWRs) operating hydrazine and ammonia-based chemistries. Measurements of the concentrations of corrosion products in the coolant of reactors operating both chemistry regimes are compared under steady operation and during shutdown. These data allow some comparisons to be drawn of corrosion product transport under ammonia and hydrazine based chemistries. Experimental measurements of electrochemical potential under PWR conditions in the presence and absence of radiation fields and under hydrazine and ammonia chemistries are also presented. (author). 4 refs, 5 figs, 2 tabs.

Development of advanced secondary chemistry monitoring system for Korea nuclear power plants

International Nuclear Information System (INIS)

Lee, Sang Hak; Kim, Chung Tae

1997-01-01

Water chemistry control is one of the most important tasks in order to maintain the reliability of plant equipments and extend the operating life of the plant. KEPCO and KOPEC developed a computerized tool for this purpose -ASCMS (advanced secondary chemistry monitoring system) which is able to monitor and diagnose the secondary water chemistry. A prototype system had been installed at KORI 3 nuclear power plant since April 1993 in order to evaluate the system performance. After the implementation of enhancements identified during the testing of the prototype, we have developed the advanced secondary monitoring system, ASCMS which is installed at 5 nuclear power plants and has been under operations since April 1997. The ASCMS comprises PC subsystem designed for data acquisition, data analysis, and data diagnosis. The ASCMS will provide overall information related to steam generator secondary side water chemistry problems and improve plant availability, reduce radiation exposure to workers, and reduce operating and maintenance costs. 6 figs

Physics and chemistry of the solar system

CERN Document Server

Lewis, John S

2004-01-01

Physics and Chemistry of the Solar System, 2nd Edition, is a comprehensive survey of the planetary physics and physical chemistry of our own solar system. It covers current research in these areas and the planetary sciences that have benefited from both earth-based and spacecraft-based experimentation. These experiments form the basis of this encyclopedic reference, which skillfully fuses synthesis and explanation. Detailed chapters review each of the major planetary bodies as well as asteroids, comets, and other small orbitals. Astronomers, physicists, and planetary scientists can use this state-of-the-art book for both research and teaching. This Second Edition features extensive new material, including expanded treatment of new meteorite classes, spacecraft findings from Mars Pathfinder through Mars Odyssey 2001, recent reflections on brown dwarfs, and descriptions of planned NASA, ESA, and Japanese planetary missions.* New edition features expanded treatment of new meteorite classes, the latest spacecraft...

Managing the water chemistry of a CANDU reactor with an expert system

International Nuclear Information System (INIS)

Lamirande, S.; Roberge, P.R.

1990-01-01

The aim of this project was to capture the expertise of Ontario Hydro in the water chemistry of the heat transport system (HTS) of the CANDU nuclear reactor and transform it into an Expert System prototype. The end product is an Expert System which can realistically diagnose situations and recommend proper courses of action based on the user's water chemistry analysis

Assimilation of surface NO2 and O3 observations into the SILAM chemistry transport model

Science.gov (United States)

Vira, J.; Sofiev, M.

2015-02-01

This paper describes the assimilation of trace gas observations into the chemistry transport model SILAM (System for Integrated modeLling of Atmospheric coMposition) using the 3D-Var method. Assimilation results for the year 2012 are presented for the prominent photochemical pollutants ozone (O3) and nitrogen dioxide (NO2). Both species are covered by the AirBase observation database, which provides the observational data set used in this study. Attention was paid to the background and observation error covariance matrices, which were obtained primarily by the iterative application of a posteriori diagnostics. The diagnostics were computed separately for 2 months representing summer and winter conditions, and further disaggregated by time of day. This enabled the derivation of background and observation error covariance definitions, which included both seasonal and diurnal variation. The consistency of the obtained covariance matrices was verified using χ2 diagnostics. The analysis scores were computed for a control set of observation stations withheld from assimilation. Compared to a free-running model simulation, the correlation coefficient for daily maximum values was improved from 0.8 to 0.9 for O3 and from 0.53 to 0.63 for NO2.

satlc applications as examples for systemic chemistry education

African Journals Online (AJOL)

IICBA01

Systemic Approach to Teaching and Learning [SATL] has evolved in the field of .... sciences, engineering sciences, agriculture, and pharmaceutical sciences. .... A study of the efficacy of systemic methods applied to the first semester of the second year organic chemistry course (16 lectures, 32 hours) at Zagazeg University ...

Extraterrestrial Radiation Chemistry and Molecular Astronomy

Science.gov (United States)

Hudson, Reggie L.; Moore, Marla H.

2009-01-01

Astronomical observations of both solar system and interstellar regions have revealed a rich chemical inventory that includes most classes of organic molecules and selected inorganics. For example, gas-phase ethylene glycol and SOz have been observed by astronomers, while solidphase detections include OCS, H2O2 , and the cyanate anion.' All of these are found in environments that are, by earthly standards, exceedingly hostile: temperatures of 10 - 100 K, miniscule densities, and near-ubiquitous ionizing-radiation fields. Beyond the simplest chemical species, these conditions have made it difficult-to-impassible to account for the observed molecular abundances using gas-phase chemistry, suggesting solid-phase reactions play an important role. In extraterrestrial environments, cosmic rays, UV photons, and magnetospheric radiation all drive chemical reactions, even at cryogenic temperatures. To study this chemistry, radiation astrochemists conduct experiments on icy materials, frozen under vacuum and exposed to sources such as keV electrons and MeV protons. Compositional changes usually are followed with IR spectroscopy and, in selected cases, more-sensitive mass-spectral techniques. This talk will review some recent results on known and suspected extraterrestrial molecules and ions. Spectra and reaction pathways will be presented, and predictions made for interstellar chemistry and the chemistry of selected solar system objects. Some past radiation-chemical contributions, and future needs, will be explored.

Theoretical chemistry periodicities in chemistry and biology

CERN Document Server

Eyring, Henry

1978-01-01

Theoretical Chemistry: Periodicities in Chemistry and Biology, Volume 4 covers the aspects of theoretical chemistry. The book discusses the stably rotating patterns of reaction and diffusion; the chemistry of inorganic systems exhibiting nonmonotonic behavior; and population cycles. The text also describes the mathematical modeling of excitable media in neurobiology and chemistry; oscillating enzyme reactions; and oscillatory properties and excitability of the heart cell membrane. Selected topics from the theory of physico-chemical instabilities are also encompassed. Chemists, mechanical engin

SATLC applications as examples for systemic chemistry education ...

African Journals Online (AJOL)

It is also used as a vehicle to engage the students in a deep learning that focuses on relating ideas and making connection between new and prior knowledge. As applications of SATLC I present here systemic chemistry related units experimented in Egyptian secondary schools and universities with examples on systemic ...

PWR primary system chemistry control during hot functional testing

International Nuclear Information System (INIS)

Reid, Richard D.; Little, Michael J.

2014-01-01

Hot Functional Testing (HFT) involves a number of pre-operational exercises performed to confirm the operability of plant systems at conditions expected during both normal and off-normal operation of a pressurized water reactor (PWR), including operability of safety systems. While the primary purposes of HFT are to demonstrate operability of plant systems and satisfy regulatory requirements, chemistry control during HFT is important to long-term integrity and performance of plant systems. Specifically, HFT is the first time plant equipment is exposed to high temperature water and the chemistry maintained during HFT can impact the passivation layers that form on wetted surfaces and long-term release of metals from these surfaces. Metals released from the inner surfaces of steam generator tubing and reactor coolant loop piping become activated in the core and can redeposit on ex-core surfaces. Because HFT is performed before fuel is loaded in the core, HFT provides an opportunity to produce a passive layer on primary surfaces that is free of activated corrosion products, resistant to metals release during subsequent plant operation, and also resistant to incorporation of activated corrosion products (once fuel is loaded in the core). Thus, maintaining desirable primary chemistry control during HFT is important for source term management, minimization of future shutdown activity releases, minimization of dose rates, and asset preservation. This paper presents an overview of passive film formation in the austenitic stainless steel and high nickel alloys that make up the majority of the primary circuit in advanced PWR designs. Based on this information, a summary is provided of the effects on passive film formation of key chemistry parameters that may be controlled during HFT. (author)

Safety in the Chemical Laboratory. Epidemiology of Accidents in Academic Chemistry Laboratories, Part 2. Accident Intervention Study, Legal Aspects, and Observations.

Science.gov (United States)

Hellmann, Margaret A.; And Others

1986-01-01

Reports on a chemistry laboratory accident intervention study conducted throughout the state of Colorado. Addresses the results of an initial survey of institutions of higher learning. Discusses some legal aspects concerning academic chemistry accidents. Provides some observations about academic chemistry laboratory accidents on the whole. (TW)

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

International Nuclear Information System (INIS)

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

2010-07-01

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

Specialized Gas Chromatography--Mass Spectrometry Systems for Clinical Chemistry.

Science.gov (United States)

Gochman, Nathan; And Others

1979-01-01

A discussion of the basic design and characteristics of gas chromatography-mass spectrometry systems used in clinical chemistry. A comparison of three specific systems: the Vitek Olfax IIA, Hewlett-Packard HP5992, and Du Pont DP-102 are included. (BB)

LAMPF nuclear chemistry data acquisition system

International Nuclear Information System (INIS)

Giesler, G.C.

1983-01-01

The LAMPF Nuclear Chemistry Data Acquisition System (DAS) is designed to provide both real-time control of data acquisition and facilities for data processing for a large variety of users. It consists of a PDP-11/44 connected to a parallel CAMAC branch highway as well as to a large number of peripherals. The various types of radiation counters and spectrometers and their connections to the system will be described. Also discussed will be the various methods of connection considered and their advantages and disadvantages. The operation of the system from the standpoint of both hardware and software will be described as well as plans for the future

The Seasonal cycle of the Tropical Lower Stratospheric Water Vapor in Chemistry-Climate Models in Comparison with Observations

Science.gov (United States)

Wang, X.; Dessler, A. E.

2017-12-01

The seasonal cycle is one of the key features of the tropical lower stratospheric water vapor, so it is important that the climate models reproduce it. In this analysis, we evaluate how well the Goddard Earth Observing System Chemistry Climate Model (GEOSCCM) and the Whole Atmosphere Community Climate Model (WACCM) reproduce the seasonal cycle of tropical lower stratospheric water vapor. We do this by comparing the models to observations from the Microwave Limb Sounder (MLS) and the European Centre for Medium-Range Weather Forecasts (ECMWF) ERA-Interim (ERAi). We also evaluate if the chemistry-climate models (CCMs) reproduce the key transport and dehydration processes that regulate the seasonal cycle using a forward, domain filling, diabatic trajectory model. Finally, we explore the changes of the seasonal cycle during the 21st century in the two CCMs. Our results show general agreement in the seasonal cycles from the MLS, the ERAi, and the CCMs. Despite this agreement, there are some clear disagreements between the models and the observations on the details of transport and dehydration in the TTL. Finally, both the CCMs predict a moister seasonal cycle by the end of the 21st century. But they disagree on the changes of the seasonal amplitude, which is predicted to increase in the GEOSCCM and decrease in the WACCM.

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

International Nuclear Information System (INIS)

2004-07-01

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

A prototype expert system 'SMART' for water chemistry control in reactor water circuits

International Nuclear Information System (INIS)

Rangarajan, S.; Narasimhan, S.V.

1998-01-01

The operational safety of a power plant depends mainly on the material compatibility of the system materials with the environment. However, for an operating plant, the material is almost fixed and hence one can improve the safety by controlling the surrounding environment. From the economy point of view, the plant availability factor as well as plant life extension (PLEX) are important considerations and these necessitate a systematic approach for continuous parametric monitoring, rapid data analysis and diagnosis for controlling the water chemistry regime. A prototype expert system 'SMART' was developed in BASIC language. The expert system consists of four modules. The DATA HANDLER module controls all the data handling functions and graphical display of the data parameters. It also generates weekly and monthly reports of the water chemistry data. The DATA INTERPRETER module compares the experimental data with the theoretically calculated values and predicts the presence of impurity ingress in the system. The CHEMISTRY EXPERT contains the knowledge base about the various sub-systems. All the water chemistry specifications are translated in the form of IF... THEN.. rules and are stored in this module. The expert system inferences with the forward chain reasoning mechanism to identify the diagnostic parameters by consulting the knowledge base and applying the appropriate rules. The ACTION EXPERT module collects all the diagnostic parameters and suggests the operator, the remedial actions/counter measures that should be taken immediately. This rule based system can be expanded to accommodate different water chemistry regimes. (author)

Antiparallel Dynamic Covalent Chemistries.

Science.gov (United States)

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

2017-05-17

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

Chemistry and physics

International Nuclear Information System (INIS)

Broerse, J.J.; Barendsen, G.W.; Kal, H.B.; Kogel, A.J. van der

1983-01-01

This book contains the extended abstracts of the contributions of the poster workshop sessions on chemistry and physics of the 7th international congress of radiation research. They cover the following main topics: primary processes in radiation physics and chemistry, general chemistry in radiation chemistry, DNA and model systems in radiation chemistry, molecules of biological interest in radiation chemistry, techniques in radiation chemistry, hot atom chemistry. refs.; figs.; tabs

XVIII Mendeleev congress on general and applied chemistry. Summaries of reports in five volumes. Volume 5. IV Russian-French symposium Supramolecular systems in chemistry and biology. II Russian-Indian symposium on organic chemistry. International symposium on present-day radiochemistry Radiochemistry: progress and prospects. International symposium Green chemistry, stable evolution and social responsibility of chemists. Symposium Nucleophilic hydrogen substitution in aromatic systems and related reactions

International Nuclear Information System (INIS)

2007-01-01

The 5 volume of the XVIII Mendeleev congress on general and applied chemistry includes summaries of reports on the subjects of sypramolecular systems in chemistry and biology, organic chemistry, modern radiochemistry, green chemistry - development and social responsibility of chemists, nucleophilic hydrogen substitution in aromatic systems and related chemical reactions [ru

Design of an electronic performance support system for food chemistry laboratory classes

NARCIS (Netherlands)

Kolk, van der J.

2013-01-01

The design oriented research described in this thesis aims at designing an realizing an electronic performance support system for food chemistry laboratory classes (labEPSS). Four design goals related to food chemistry laboratory classes were identified. Firstly, labEPSS should avoid extraneous

Protostellar accretion traced with chemistry

DEFF Research Database (Denmark)

Frimann, Søren; Jørgensen, Jes Kristian; Dunham, Michael M.

2017-01-01

. Our aim is to characterise protostellar accretion histories towards individual sources by utilising sublimation and freeze-out chemistry of CO. Methods. A sample of 24 embedded protostars are observed with the Submillimeter Array (SMA) in context of the large program "Mass Assembly of Stellar Systems...

Chemistry, manufacturing and controls in passive transdermal drug delivery systems.

Science.gov (United States)

Goswami, Tarun; Audett, Jay

2015-01-01

Transdermal drug delivery systems (TDDS) are used for the delivery of the drugs through the skin into the systemic circulation by applying them to the intact skin. The development of TDDS is a complex and multidisciplinary affair which involves identification of suitable drug, excipients and various other components. There have been numerous problems reported with respect to TDDS quality and performance. These problems can be reduced by appropriately addressing chemistry, manufacturing and controls requirements, which would thereby result in development of robust TDDS product and processes. This article provides recommendations on the chemistry, manufacturing and controls focusing on the unique technical aspects of TDDS.

Enhancement and assessment of students’ systems thinking skills by application of systemic synthesis questions in the organic chemistry course

Directory of Open Access Journals (Sweden)

Hrin Tamara N.

2016-01-01

Full Text Available Many studies in the field of science education have emphasized the fact that systems thinking is a very important higher-order thinking skill which should be fostered during classes. However, more attention has been dedicated to the different ways of systems thinking skills assessment, and less to their enhancement. Taking this into consideration, the goal of our study was not only to validate secondary school students’ systems thinking skills, but also to help students in the complex process of their development. With this goal, new instructional and assessment tools - systemic synthesis questions [SSynQs], were constructed, and an experiment with one experimental (E and one control (C group was conducted during organic chemistry classes. Namely, the instructional teaching/learning method for both E and C groups was the same in processing the new contents, but different on classes for the revision of the selected organic chemistry contents. The results showed that students exposed to the new instructional method (E group achieved higher performance scores on three different types of systems thinking than students from the C group, who were taught by the traditional method. The greatest difference between the groups was found in the most complex dimension of systems thinking construct - in the II level of procedural systems thinking. Along with this dimension, structural systems thinking and I level of procedural systems thinking were also observed. [Projekat Ministarstva nauke Republike Srbije, br. 179010

Supramolecular systems chemistry

NARCIS (Netherlands)

Mattia, Elio; Otto, Sijbren

The field of supramolecular chemistry focuses on the non-covalent interactions between molecules that give rise to molecular recognition and self-assembly processes. Since most non-covalent interactions are relatively weak and form and break without significant activation barriers, many

Proposed Empirical Entropy and Gibbs Energy Based on Observations of Scale Invariance in Open Nonequilibrium Systems.

Science.gov (United States)

Tuck, Adrian F

2017-09-07

There is no widely agreed definition of entropy, and consequently Gibbs energy, in open systems far from equilibrium. One recent approach has sought to formulate an entropy and Gibbs energy based on observed scale invariances in geophysical variables, particularly in atmospheric quantities, including the molecules constituting stratospheric chemistry. The Hamiltonian flux dynamics of energy in macroscopic open nonequilibrium systems maps to energy in equilibrium statistical thermodynamics, and corresponding equivalences of scale invariant variables with other relevant statistical mechanical variables such as entropy, Gibbs energy, and 1/(k Boltzmann T), are not just formally analogous but are also mappings. Three proof-of-concept representative examples from available adequate stratospheric chemistry observations-temperature, wind speed and ozone-are calculated, with the aim of applying these mappings and equivalences. Potential applications of the approach to scale invariant observations from the literature, involving scales from molecular through laboratory to astronomical, are considered. Theoretical support for the approach from the literature is discussed.

The systemic approach to teaching and learning chemistry [SATLC ...

African Journals Online (AJOL)

The systemic approach to teaching and learning chemistry [SATLC]: a 20-years review. ... in activities such as tourism, commerce, economy, security, education etc.., ... that we live in and survive with its positive and negative impacts on our life.

The Chemistry of Atmosphere-Forest Exchange (CAFE Model – Part 2: Application to BEARPEX-2007 observations

Directory of Open Access Journals (Sweden)

G. M. Wolfe

2011-02-01

Full Text Available In a companion paper, we introduced the Chemistry of Atmosphere-Forest Exchange (CAFE model, a vertically-resolved 1-D chemical transport model designed to probe the details of near-surface reactive gas exchange. Here, we apply CAFE to noontime observations from the 2007 Biosphere Effects on Aerosols and Photochemistry Experiment (BEARPEX-2007. In this work we evaluate the CAFE modeling approach, demonstrate the significance of in-canopy chemistry for forest-atmosphere exchange and identify key shortcomings in the current understanding of intra-canopy processes.

CAFE generally reproduces BEARPEX-2007 observations but requires an enhanced radical recycling mechanism to overcome a factor of 6 underestimate of hydroxyl (OH concentrations observed during a warm (~29 °C period. Modeled fluxes of acyl peroxy nitrates (APN are quite sensitive to gradients in chemical production and loss, demonstrating that chemistry may perturb forest-atmosphere exchange even when the chemical timescale is long relative to the canopy mixing timescale. The model underestimates peroxy acetyl nitrate (PAN fluxes by 50% and the exchange velocity by nearly a factor of three under warmer conditions, suggesting that near-surface APN sinks are underestimated relative to the sources. Nitric acid typically dominates gross dry N deposition at this site, though other reactive nitrogen (NO_y species can comprise up to 28% of the N deposition budget under cooler conditions. Upward NO₂ fluxes cause the net above-canopy NO_y flux to be ~30% lower than the gross depositional flux. CAFE under-predicts ozone fluxes and exchange velocities by ~20%. Large uncertainty in the parameterization of cuticular and ground deposition precludes conclusive attribution of non-stomatal fluxes to chemistry or surface uptake. Model-measurement comparisons of vertical concentration gradients for several emitted species suggests that the lower canopy airspace may be

Cochlear Damage Affects Neurotransmitter Chemistry in the Central Auditory System

Directory of Open Access Journals (Sweden)

Donald Albert Godfrey

2014-11-01

Full Text Available Tinnitus, the perception of a monotonous sound not actually present in the environment, affects nearly 20% of the population of the United States. Although there has been great progress in tinnitus research over the past 25 years, the neurochemical basis of tinnitus is still poorly understood. We review current research about the effects of various types of cochlear damage on the neurotransmitter chemistry in the central auditory system and document evidence that different changes in this chemistry can underlie similar behaviorally measured tinnitus symptoms. Most available data have been obtained from rodents following cochlear damage produced by cochlear ablation, loud sound, or ototoxic drugs. Effects on neurotransmitter systems have been measured as changes in neurotransmitter level, synthesis, release, uptake, and receptors. In this review, magnitudes of changes are presented for neurotransmitter-related amino acids, acetylcholine, and serotonin. A variety of effects have been found in these studies that may be related to animal model, survival time, type of cochlear damage, or methodology. The overall impression from the evidence presented is that any imbalance of neurotransmitter-related chemistry could disrupt auditory processing in such a way as to produce tinnitus.

The 1-way on-line coupled atmospheric chemistry model system MECO(n – Part 1: Description of the limited-area atmospheric chemistry model COSMO/MESSy

Directory of Open Access Journals (Sweden)

A. Kerkweg

2012-01-01

Full Text Available The numerical weather prediction model of the Consortium for Small Scale Modelling (COSMO, maintained by the German weather service (DWD, is connected with the Modular Earth Submodel System (MESSy. This effort is undertaken in preparation of a new, limited-area atmospheric chemistry model. Limited-area models require lateral boundary conditions for all prognostic variables. Therefore the quality of a regional chemistry model is expected to improve, if boundary conditions for the chemical constituents are provided by the driving model in consistence with the meteorological boundary conditions. The new developed model is as consistent as possible, with respect to atmospheric chemistry and related processes, with a previously developed global atmospheric chemistry general circulation model: the ECHAM/MESSy Atmospheric Chemistry (EMAC model. The combined system constitutes a new research tool, bridging the global to the meso-γ scale for atmospheric chemistry research. MESSy provides the infrastructure and includes, among others, the process and diagnostic submodels for atmospheric chemistry simulations. Furthermore, MESSy is highly flexible allowing model setups with tailor made complexity, depending on the scientific question. Here, the connection of the MESSy infrastructure to the COSMO model is documented and also the code changes required for the generalisation of regular MESSy submodels. Moreover, previously published prototype submodels for simplified tracer studies are generalised to be plugged-in and used in the global and the limited-area model. They are used to evaluate the TRACER interface implementation in the new COSMO/MESSy model system and the tracer transport characteristics, an important prerequisite for future atmospheric chemistry applications. A supplementary document with further details on the technical implementation of the MESSy interface into COSMO with a complete list of modifications to the COSMO code is provided.

Chemistry

International Nuclear Information System (INIS)

Ferris, L.M.

1975-01-01

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

Radiation chemistry of amino acids and peptides in aqueous solutions

International Nuclear Information System (INIS)

Simic, M.G.

1978-01-01

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

Dynamic combinatorial libraries : new opportunities in systems chemistry

NARCIS (Netherlands)

Hunt, Rosemary A. R.; Otto, Sijbren; Hunt, Rosemary A.R.

2011-01-01

Combinatorial chemistry is a tool for selecting molecules with special properties. Dynamic combinatorial chemistry started off aiming to be just that. However, unlike ordinary combinatorial chemistry, the interconnectedness of dynamic libraries gives them an extra dimension. An understanding of

Cycle chemistry monitoring system as means of improving the reliability of the equipment at the power plants

Science.gov (United States)

Yegoshina, O. V.; Voronov, V. N.; Yarovoy, V. O.; Bolshakova, N. A.

2017-11-01

There are many problems in domestic energy at the present that require urgent solutions in the near future. One of these problems - the aging of the main and auxiliary equipment. Wear of equipment is the cause of decrease reliability and efficiency of power plants. Reliability of the equipment are associated with the introduction of cycle chemistry monitoring system. The most damageable equipment’s are boilers (52.2 %), turbines (12.6 %) and heating systems (12.3 %) according to the review of failure rate on the power plants. The most part of the damageability of the boiler is heated surfaces (73.2 %). According to the Russian technical requirements, the monitoring systems are responsible to reduce damageability the boiler heating surfaces and to increase the reliability of the equipment. All power units capacity of over 50 MW are equipped with cycle chemistry monitoring systems in order to maintain water chemistry within operating limits. The main idea of cycle chemistry monitoring systems is to improve water chemistry at power plants. According to the guidelines, cycle chemistry monitoring systems of a single unit depends on its type (drum or once-through boiler) and consists of: 20…50 parameters of on-line chemical analyzers; 20…30 «grab» sample analyses (daily) and about 15…20 on-line monitored operating parameters. The operator of modern power plant uses with many data at different points of steam/water cycle. Operators do not can estimate quality of the cycle chemistry due to the large volume of daily and every shift information and dispersion of data, lack of systematization. In this paper, an algorithm for calculating the quality index developed for improving control the water chemistry of the condensate, feed water and prevent scaling and corrosion in the steam/water cycle.

Observed ices in the Solar System

Science.gov (United States)

Clark, Roger N.; Grundy, Will; Carlson, Robert R.; Noll, Keith; Gudipati, Murthy; Castillo-Rogez, Julie C.

2013-01-01

Ices have been detected and mapped on the Earth and all planets and/or their satellites further from the sun. Water ice is the most common frozen volatile observed and is also unambiguously detected or inferred in every planet and/or their moon(s) except Venus. Carbon dioxide is also extensively found in all systems beyond the Earth except Pluto although it sometimes appears to be trapped rather than as an ice on some objects. The largest deposits of carbon dioxide ice is on Mars. Sulfur dioxide ice is found in the Jupiter system. Nitrogen and methane ices are common beyond the Uranian system. Saturn’s moon Titan probably has the most complex active chemistry involving ices, with benzene (C6H6) and many tentative or inferred compounds including ices of Cyanoacetylene (HC3N), Toluene (C7H8), Cyanogen (C2N2), Acetonitrile (CH3CN), H2O, CO2, and NH3. Confirming compounds on Titan is hampered by its thick smoggy atmosphere. Ammonia was predicted on many icy moons but is notably absent among the definitively detected ices with the possible exception of Enceladus. Comets, storehouses of many compounds that could exist as ices in their nuclei, have only had small amounts of water ice definitively detected on their surfaces. Only one asteroid has had a direct detection of surface water ice, although its presence can be inferred in others. This chapter reviews some of the properties of ices that lead to their detection, and surveys the ices that have been observed on solid surfaces throughout the Solar System.

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

International Nuclear Information System (INIS)

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

1994-02-01

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

Analytical Chemistry Division's sample transaction system

International Nuclear Information System (INIS)

Stanton, J.S.; Tilson, P.A.

1980-10-01

The Analytical Chemistry Division uses the DECsystem-10 computer for a wide range of tasks: sample management, timekeeping, quality assurance, and data calculation. This document describes the features and operating characteristics of many of the computer programs used by the Division. The descriptions are divided into chapters which cover all of the information about one aspect of the Analytical Chemistry Division's computer processing

GEOS-5 Chemistry Transport Model User's Guide

Science.gov (United States)

Kouatchou, J.; Molod, A.; Nielsen, J. E.; Auer, B.; Putman, W.; Clune, T.

2015-01-01

The Goddard Earth Observing System version 5 (GEOS-5) General Circulation Model (GCM) makes use of the Earth System Modeling Framework (ESMF) to enable model configurations with many functions. One of the options of the GEOS-5 GCM is the GEOS-5 Chemistry Transport Model (GEOS-5 CTM), which is an offline simulation of chemistry and constituent transport driven by a specified meteorology and other model output fields. This document describes the basic components of the GEOS-5 CTM, and is a user's guide on to how to obtain and run simulations on the NCCS Discover platform. In addition, we provide information on how to change the model configuration input files to meet users' needs.

The impact of surface chemistry on the performance of localized solar-driven evaporation system.

Science.gov (United States)

Yu, Shengtao; Zhang, Yao; Duan, Haoze; Liu, Yanming; Quan, Xiaojun; Tao, Peng; Shang, Wen; Wu, Jianbo; Song, Chengyi; Deng, Tao

2015-09-04

This report investigates the influence of surface chemistry (or wettability) on the evaporation performance of free-standing double-layered thin film on the surface of water. Such newly developed evaporation system is composed of top plasmonic light-to-heat conversion layer and bottom porous supporting layer. Under solar light illumination, the induced plasmonic heat will be localized within the film. By modulating the wettability of such evaporation system through the control of surface chemistry, the evaporation rates are differentiated between hydrophilized and hydrophobized anodic aluminum oxide membrane-based double layered thin films. Additionally, this work demonstrated that the evaporation rate mainly depends on the wettability of bottom supporting layer rather than that of top light-to-heat conversion layer. The findings in this study not only elucidate the role of surface chemistry of each layer of such double-layered evaporation system, but also provide additional design guidelines for such localized evaporation system in applications including desalination, distillation and power generation.

Water chemistry control at FBTR

International Nuclear Information System (INIS)

Panigrahi, B.S.; Jambunathan, D.; Suresh Kumar, K.V.; Ramanathan, V.; Srinivasan, G.; Ramalingam, P.V.

2008-01-01

Condenser cooling and service water systems together serve as the cooling water system of Fast Breeder Test Reactor (FBTR). Palar river water serves as the make-up to the cooling water system. Initially, the service water system alone was commissioned in phases depending upon the arrival of auxiliary equipments at site. During this period, the water was not treated chemically and it also inadvertently remained stagnant for some time in some systems. Thereafter, a threshold chemical treatment was started. However, pin-hole leaks and reduced flow through the heat exchangers were observed and therefore chemical cleaning of headers was done and small diameter pipelines were replaced. Following this a full fledged chemistry control with proprietary formulations was initiated. Later the condenser cooling system was commissioned and the chemical treatment was reviewed. With adoption of improved monitoring methodology and treatment formulation satisfactory corrosion control (< 3 mpy) with minimum deposition problem in this system could be achieved. The primary coolant (primary sodium) of FBTR transfers the nuclear heat to the secondary coolant (secondary sodium) that in turn transfers heat to water in Once Through Steam Generator (OTSG) to generate superheated steam (480 deg C at 125 bar). Efficient water chemistry control plays the vital role in minimizing corrosion related failures of steam generator tubes and ensuring steam generator tube integrity. Therefore, the technical specifications of chemistry parameters of feed/steam water at FBTR are made very stringent to maintain the purity of water at the best attainable level. To meet this stringent feed water and steam quality specifications, online monitoring techniques have been employed in the steam/water circuit to get continuous information about the purity. These monitors have helped significantly in achieving the required feed water quality and running the steam generator for more than 25000 hours without any tube

Chemistry control approach of pre commissioning and power operation of primary and auxiliary system of KGS-3 and 4 and trouble shooting made

International Nuclear Information System (INIS)

Bennet Raj, N.; Sahu, B.S.; Kumar, Vineet; Valluri, J.

2008-01-01

KGS (Kaiga Generating Station) 3 and 4 is a 220 MWe pressurized heavy water reactor (PHWR) using heavy water (D 2 O) as moderator and primary heat coolant and the secondary system is light water which is used to make the steam for generating the power. The chemistry control approach made for the successful commissioning and subsequent power operation of the unit is discussed here. The chemistry control is of two parts first part covers the pre commissioning chemistry control and the second part covers the commissioning chemistry control. During commissioning all systems were preserved by proper chemistry control and regular recirculation of system to avoid stagnancy. The major pre commissioning and commissioning chemistry control are depicted below: Pre commissioning chemistry control of primary heat transport (PHT) system and auxiliaries; Pre commissioning chemistry control of moderator system; Primary heat transport system hot conditioning with light water; Commissioning chemistry control of End Shield System (ESC) and Calandria Vault Cooling (CVC) system; Heavy water addition and its chemistry control in moderator system; and Heavy water addition and its chemistry control in PHT system. During power operation dew point in annular gas monitoring system (AGMS) of KGS unit 3 was maintaining in higher side under recirculation. The increase of dew point could be due to ingress of heavy water or light water. A new device was developed to collect condensate and the chemistry of the condensate was checked. The result indicated the ingress of light water. (author)

Assistance in chemistry and chemical processes related to primary, secondary and ancillary systems of nuclear power plants

International Nuclear Information System (INIS)

Chocron, Mauricio A.; Becquart, Elena T.; Iglesias, Alberto M.; La Gamma, Ana M.; Villegas, Marina

2003-01-01

Argentina is currently running two nuclear power plants: Atucha I (CNA I) and Embalse (CNE) operated by Nucleoelectrica Argentina (NASA) whereas the National Atomic Energy Commission (CNEA), among other activities, is responsible for research and development in the nuclear field, operates research reactors and carries out projects related to them. In particular, the Reactor Chemistry Section personnel (currently part of the Chemistry Dept.) has been working on the field of reactor water chemistry for more than 25 years, on research and support to the NPPs chemistry department. Though the most relevant tasks have been connected to primary and secondary circuits chemistry, ancillary systems show along the time unexpected problems or feasible improvements originated in the undergoing operating time as well as in phenomena not foreseen by the constructors. In the present paper are presented the tasks performed in relation to the following systems of Embalse NPP: 1) Heavy water upgrade column preliminary water treatment; 2) Liquid waste system preliminary water treatment; and 3) Primary heat transport system coolant crud composition. (author)

Indoor Chemistry: Materials, Ventilation Systems, and Occupant Activities

Energy Technology Data Exchange (ETDEWEB)

Morrison, G.C.; Corsi, R.L.; Destaillats, H.; Nazaroff, W.W.; Wells, J.R.

2006-05-01

Chemical processes taking place in indoor environments can significantly alter the nature and concentrations of pollutants. Exposure to secondary contaminants generated in these reactions needs to be evaluated in association with many aspects of buildings to minimize their impact on occupant health and well-being. Focusing on indoor ozone chemistry, we describe alternatives for improving indoor air quality by controlling chemical changes related to building materials, ventilation systems, and occupant activities.

Characterizing Martian Soils: Correlating Orbital Observations with Chemistry and Mineralogy from Landed Missions

Science.gov (United States)

Bishop, J. L.

2010-12-01

Great advances have been achieved recently in our understanding of the surface of Mars at global scales from orbital missions and at local scales from landed missions. This presentation seeks to provide links between the chemistry and mineralogy observed by landed missions with remote detections of minerals from orbit. Spectral data from CRISM, OMEGA and TES characterize a mostly basaltic planet with some outcrops of hematite, clays, sulfates and carbonates at the surface. Recent alteration of these rocks to form soils has likely been dominated by physical processes; however, martian soils probably also contain relicts of early alteration involving aqueous processes. Clays, hydroxides, sulfates, carbonates and perchlorates are examples of surface components that may have formed early in the planet’s history in the presence of liquid water. Some of these minerals have not been detected in the soil, but all have likely contributed to the current soil composition. The grain size, shape, chemistry, mineralogy, and magnetic properties of Martian soils are similar to altered volcanic ash found at many analog sites on Earth. Reflectance and emission spectra of some of these analog soils are consistent with the basic soil spectral properties observed from orbit. The cemented soil units observed by rovers may have formed through interaction of the soil grains with salts, clays, and hydroxides. Lab experiments have shown that cementing of analog grains darkens the VN reflectance, which could explain the low reflectance of Martian soils compared to analog sites. Reflectance spectra of an analog soil mixture containing altered ash and sulfate are shown in Figure 1. A pellet was made by adding water and allowing the sample to dry in air. Finally, the pellet was crushed and ground again to properties might be.

Maximizing the Adjacent Possible in Automata Chemistries.

Science.gov (United States)

Hickinbotham, Simon; Clark, Edward; Nellis, Adam; Stepney, Susan; Clarke, Tim; Young, Peter

2016-01-01

Automata chemistries are good vehicles for experimentation in open-ended evolution, but they are by necessity complex systems whose low-level properties require careful design. To aid the process of designing automata chemistries, we develop an abstract model that classifies the features of a chemistry from a physical (bottom up) perspective and from a biological (top down) perspective. There are two levels: things that can evolve, and things that cannot. We equate the evolving level with biology and the non-evolving level with physics. We design our initial organisms in the biology, so they can evolve. We design the physics to facilitate evolvable biologies. This architecture leads to a set of design principles that should be observed when creating an instantiation of the architecture. These principles are Everything Evolves, Everything's Soft, and Everything Dies. To evaluate these ideas, we present experiments in the recently developed Stringmol automata chemistry. We examine the properties of Stringmol with respect to the principles, and so demonstrate the usefulness of the principles in designing automata chemistries.

Substantial secondary organic aerosol formation in a coniferous forest: observations of both day- and nighttime chemistry

OpenAIRE

A. K. Y. Lee; J. P. D. Abbatt; W. R. Leaitch; S.-M. Li; S. J. Sjostedt; S. J. Sjostedt; J. J. B. Wentzell; J. Liggio; A. M. Macdonald

2016-01-01

Substantial biogenic secondary organic aerosol (BSOA) formation was investigated in a coniferous forest mountain region at Whistler, British Columbia. A largely biogenic aerosol growth episode was observed, providing a unique opportunity to investigate BSOA formation chemistry in a forested environment with limited influence from anthropogenic emissions. Positive matrix factorization of aerosol mass spectrometry (AMS) measurement identifie...

Laboratory study of nitrate photolysis in Antarctic snow. I. Observed quantum yield, domain of photolysis, and secondary chemistry

DEFF Research Database (Denmark)

Meusinger, Carl; Berhanu, Tesfaye A.; Erbland, Joseph

2014-01-01

undergoing secondary (recombination) chemistry. Modeled NOx emissions may increase significantly above measured values due to the observed quantum yield in this study. The apparent quantum yield in the 200 nm band was found to be ∼ 1%, much lower than reported for aqueous chemistry. A companion paper...... are understood. It has been shown that photolysis of nitrate in the snowpack plays a major role in nitrate loss and that the photolysis products have a significant influence on the local troposphere as well as on other species in the snow. Reported quantum yields for the main reaction spans orders of magnitude...

Application of the principle of supramolecular chemistry in the fields of radiochemistry and radiation chemistry

International Nuclear Information System (INIS)

Shen Xinghai; Chen Qingde; Gao Hongcheng

2008-01-01

Supramolecular chemistry, one of the front fields in chemistry, is defined as 'chemistry beyond the molecule', bearing on the organized entities of higher complexity that result from the association of two or more chemical species held together by intermolecular forces. This article focuses on the application of the principle of supramolecular chemistry in the fields of radiochemistry and radiation chemistry. The following aspects are concerned: (1) the recent progress of supramolecular chemistry; (2) the application of the principle of supramolecular chemistry and the functions of supramolecular system, i.e., recognition, assembly and translocation, in the extraction of nuclides; (3) the application of microemulsion, ionic imprinted polymers, ionic liquids and cloud point extraction in the enrichment of nuclides; (4) the radiation effect of supramolecular systems. (authors)

SNS Resonance Control Cooling Systems and Quadrupole Magnet Cooling Systems DIW Chemistry

Energy Technology Data Exchange (ETDEWEB)

Magda, Karoly [ORNL

2018-01-01

This report focuses on control of the water chemistry for the Spallation Neutron Source (SNS) Resonance Control Cooling System (RCCS)/Quadrupole Magnet Cooling System (QMCS) deionized water (DIW) cooling loops. Data collected from spring 2013 through spring 2016 are discussed, and an operations regime is recommended.It was found that the RCCS operates with an average pH of 7.24 for all lines (from 7.0 to 7.5, slightly alkaline), the average low dissolved oxygen is in the area of < 36 ppb, and the main loop average resistivity of is > 14 MΩ-cm. The QMCS was found to be operating in a similar regime, with a slightly alkaline pH of 7.5 , low dissolved oxygen in the area of < 45 ppb, and main loop resistivity of 10 to 15 MΩ-cm. During data reading, operational corrections were done on the polishing loops to improve the water chemistry regime. Therefore some trends changed over time.It is recommended that the cooling loops operate in a regime in which the water has a resistivity that is as high as achievable, a dissolved oxygen concentration that is as low as achievable, and a neutral or slightly alkaline pH.

Water and complex organic chemistry in the cold dark cloud Barnard 5: Observations and Models

Science.gov (United States)

Wirström, Eva; Charnley, Steven B.; Taquet, Vianney; Persson, Carina M.

2015-08-01

Studies of complex organic molecule (COM) formation have traditionally been focused on hot cores in regions of massive star formation, where chemistry is driven by the elevated temperatures - evaporating ices and allowing for endothermic reactions in the gas-phase. As more sensitive instruments have become available, the types of objects known to harbour COMs like acetaldehyde (CH3CHO), dimethyl ether (CH3OCH3), methyl formate (CH3OCHO), and ketene (CH2CO) have expanded to include low mass protostars and, recently, even pre-stellar cores. We here report on the first in a new category of objects harbouring COMs: the cold dark cloud Barnard 5 where non-thermal ice desorption induce complex organic chemistry entirely unrelated to local star-formation.Methanol, which only forms efficiently on the surfaces of dust grains, provide evidence of efficient non-thermal desorption of ices in the form of prominent emission peaks offset from protostellar activity and high density tracers in cold molecular clouds. A study with Herschel targeting such methanol emission peaks resulted in the first ever detection of gas-phase water offset from protostellar activity in a dark cloud, at the so called methanol hotspot in Barnard 5.To model the effect a transient injection of ices into the gas-phase has on the chemistry of a cold, dark cloud we have included gas-grain interactions in an existing gas-phase chemical model and connected it to a chemical reaction network updated and expanded to include the formation and destruction paths of the most common COMs. Results from this model will be presented.Ground-based follow-up studies toward the methanol hotspot in B5 have resulted in the detection of a number of COMs, including CH2CO, CH3CHO, CH3OCH3, and CH3OCHO, as well as deuterated methanol (CH2DOH). Observations have also confirmed that COM emission is extended and not localised to a core structure. The implications of these observational and theoretical studies of B5 will be discussed

Systemic Changes in the Undergraduate Chemistry Curriculum Program Awards

Science.gov (United States)

1995-07-01

The National Science Foundation has awarded over 10 million in awards to four coalitions in the first round of full awards in the Systemic Changes in the Undergraduate Chemistry Curriculum program. Overall, more than 50 institutions, ranging from large universities to four-year and community colleges, are formally involved in these projects. Each of the projects will involve five years of curricular development and evaluation and dissemination of the results by the participating institutions, as described in the abstracts below. We encourage faculty who are interested in becoming involved in any of these projects to contact the appropriate coalition. In addition, we expect to begin offering an emphasis in 1997 under the Course and Curriculum Development program in which faculty can request funds to assist them in adapting and adopting at their own institutions curricular innovations that have been developed by these coalitions. Another round of proposals for full awards was accepted in June of 1995, and we expect to make one more award in the program during FY1996. We do not expect to accept proposals for either planning or full grants in this program in June of 1996. However, the regular Course and Curriculum Development program will continue to accept and fund proposals requesting support for smaller-scale changes in the chemistry curriculum. ChemLinks Coalition: Making Chemical Connections Brock Spencer Beloit College, Beloit, WI 53511 DUE 9455918: FY1995, 705,000; FY 1996, 655,000; FY1997, 655,000; FY1998, 350,00; FY1999, 350,000 The ChemLinks Coalition is undertaking a five-year project to change the way students learn chemistry, increase scientific literacy for all students taking chemistry, and promote the process of educational reform. In collaboration with the ModularChem Consortium, faculty are developing, testing, and disseminating modular course materials that use active and collaborative approaches to learning. These materials, focused on the first two

Observable Signatures of Wind-driven Chemistry with a Fully Consistent Three-dimensional Radiative Hydrodynamics Model of HD 209458b

Science.gov (United States)

Drummond, B.; Mayne, N. J.; Manners, J.; Carter, A. L.; Boutle, I. A.; Baraffe, I.; Hébrard, É.; Tremblin, P.; Sing, D. K.; Amundsen, D. S.; Acreman, D.

2018-03-01

We present a study of the effect of wind-driven advection on the chemical composition of hot-Jupiter atmospheres using a fully consistent 3D hydrodynamics, chemistry, and radiative transfer code, the Met Office Unified Model (UM). Chemical modeling of exoplanet atmospheres has primarily been restricted to 1D models that cannot account for 3D dynamical processes. In this work, we couple a chemical relaxation scheme to the UM to account for the chemical interconversion of methane and carbon monoxide. This is done consistently with the radiative transfer meaning that departures from chemical equilibrium are included in the heating rates (and emission) and hence complete the feedback between the dynamics, thermal structure, and chemical composition. In this Letter, we simulate the well studied atmosphere of HD 209458b. We find that the combined effect of horizontal and vertical advection leads to an increase in the methane abundance by several orders of magnitude, which is directly opposite to the trend found in previous works. Our results demonstrate the need to include 3D effects when considering the chemistry of hot-Jupiter atmospheres. We calculate transmission and emission spectra, as well as the emission phase curve, from our simulations. We conclude that gas-phase nonequilibrium chemistry is unlikely to explain the model–observation discrepancy in the 4.5 μm Spitzer/IRAC channel. However, we highlight other spectral regions, observable with the James Webb Space Telescope, where signatures of wind-driven chemistry are more prominant.

Intelligent monitoring of water chemistry - Diagnostic expert system DIWATM

International Nuclear Information System (INIS)

Metzner, W.; Streit, K.

2002-01-01

For fast and comprehensive evaluation of power plant water chemistry conditions and reliable diagnosis in the event of disturbances considerable advantages are provided by employment of the Diagnostic Expert System DIWA. The interface to the process control system (I and C) and the integration of the DIWA system in the office PC network are the preconditions that DIWA operates as a monitoring system in real time. The performance of diagnosis, which are processed by a fuzzy-logic-supported knowledge base ensures not only the detection of all disturbances but also different analyses of the plant operation mode. By editing the knowledge base the Al of the system can increase without system programming. (authors)

Chemistry and radiochemistry strategies supported by FA3-EPRTM and UK-EPRTM auxiliary systems: performances and control

International Nuclear Information System (INIS)

Tigeras, Arancha; Fourment, Pierre; Elgallaf; Anas; Chupin, Antoine; Fauvel, Nicola

2012-09-01

The design and the operation of auxiliary systems play an essential role in: - the preservation of the primary circuit integrity, - the prevention of hydrogen risk, - the control of the boron concentration and radioactivity, - the application of pH and zinc programmes. While the source term generation mainly depends on the primary circuit material and primary coolant chemistry conditioning, the source term spreading is directly linked to the auxiliary systems treatment and performances. Indeed, the auxiliary systems regulate the boron, hydrogen, lithium and zinc injection as well as the countermeasures to ensure the reactivity control and the hazardous H 2 /O 2 mixture prevention. The main principles governing the chemistry and radiochemistry in the auxiliary systems are based on the application of: - Design features for hydrogen and boron management. - Criteria for selecting the appropriate material of each system considering the functional requirements and the source term build up reduction. - Measures for minimizing the activity deposition on the surfaces of components and pipings. - Adequate and reliable systems of purification for reducing the accumulation of liquid/gas radioactivity and impurities in the circuits and for optimizing the waste production. - Chemistry program for limiting the material corrosion of auxiliary systems and preventing the source term transfer to the core. - Appropriate sampling locations and equipment to monitor the chemistry and radiochemistry parameters. This paper describes the operation of the main auxiliary systems of FLAMANVILLE3-EPR TM and UK-EPR- TM participating in the chemistry/radiochemistry management such as Chemical and Volume Control System (CVCS), Reactor Borated Water Make-up System (RBWMS), Coolant Treatment System (CTS), Gaseous Waste Processing System (GWPS), Fuel Pool Purification System (PTR [FPPS/FPCS]) also. The performances requested to these systems and the chemistry programs applied to them are discussed

Eleventh international symposium on radiopharmaceutical chemistry

International Nuclear Information System (INIS)

1995-01-01

This document contains abstracts of papers which were presented at the Eleventh International Symposium on Radiopharmaceutical Chemistry. Sessions included: radiopharmaceuticals for the dopaminergic system, strategies for the production and use of labelled reactive small molecules, radiopharmaceuticals for measuring metabolism, radiopharmaceuticals for the serotonin and sigma receptor systems, labelled probes for molecular biology applications, radiopharmaceuticals for receptor systems, radiopharmaceuticals utilizing coordination chemistry, radiolabelled antibodies, radiolabelling methods for small molecules, analytical techniques in radiopharmaceutical chemistry, and analytical techniques in radiopharmaceutical chemistry

Eleventh international symposium on radiopharmaceutical chemistry

Energy Technology Data Exchange (ETDEWEB)

NONE

1995-12-31

This document contains abstracts of papers which were presented at the Eleventh International Symposium on Radiopharmaceutical Chemistry. Sessions included: radiopharmaceuticals for the dopaminergic system, strategies for the production and use of labelled reactive small molecules, radiopharmaceuticals for measuring metabolism, radiopharmaceuticals for the serotonin and sigma receptor systems, labelled probes for molecular biology applications, radiopharmaceuticals for receptor systems, radiopharmaceuticals utilizing coordination chemistry, radiolabelled antibodies, radiolabelling methods for small molecules, analytical techniques in radiopharmaceutical chemistry, and analytical techniques in radiopharmaceutical chemistry.

Long-term changes in lower tropospheric baseline ozone concentrations: Comparing chemistry-climate models and observations at northern midlatitudes

Science.gov (United States)

Parrish, D. D.; Lamarque, J.-F.; Naik, V.; Horowitz, L.; Shindell, D. T.; Staehelin, J.; Derwent, R.; Cooper, O. R.; Tanimoto, H.; Volz-Thomas, A.; Gilge, S.; Scheel, H.-E.; Steinbacher, M.; Fröhlich, M.

2014-05-01

Two recent papers have quantified long-term ozone (O3) changes observed at northern midlatitude sites that are believed to represent baseline (here understood as representative of continental to hemispheric scales) conditions. Three chemistry-climate models (NCAR CAM-chem, GFDL-CM3, and GISS-E2-R) have calculated retrospective tropospheric O3 concentrations as part of the Atmospheric Chemistry and Climate Model Intercomparison Project and Coupled Model Intercomparison Project Phase 5 model intercomparisons. We present an approach for quantitative comparisons of model results with measurements for seasonally averaged O3 concentrations. There is considerable qualitative agreement between the measurements and the models, but there are also substantial and consistent quantitative disagreements. Most notably, models (1) overestimate absolute O3 mixing ratios, on average by 5 to 17 ppbv in the year 2000, (2) capture only 50% of O3 changes observed over the past five to six decades, and little of observed seasonal differences, and (3) capture 25 to 45% of the rate of change of the long-term changes. These disagreements are significant enough to indicate that only limited confidence can be placed on estimates of present-day radiative forcing of tropospheric O3 derived from modeled historic concentration changes and on predicted future O3 concentrations. Evidently our understanding of tropospheric O3, or the incorporation of chemistry and transport processes into current chemical climate models, is incomplete. Modeled O3 trends approximately parallel estimated trends in anthropogenic emissions of NOx, an important O3 precursor, while measured O3 changes increase more rapidly than these emission estimates.

Quantum chemistry

CERN Document Server

Lowe, John P

1993-01-01

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

Case Studies in Systems Chemistry. Final Report. [Includes Complete Case Study, Carboxylic Acid Equilibria

Science.gov (United States)

Fleck, George

This publication was produced as a teaching tool for college chemistry. The book is a text for a computer-based unit on the chemistry of acid-base titrations, and is designed for use with FORTRAN or BASIC computer systems, and with a programmable electronic calculator, in a variety of educational settings. The text attempts to present computer…

Computer-based system for inspection of water chemistry regimes in WWER-type nuclear power plants

International Nuclear Information System (INIS)

Burcl, R.; Novak, M.; Malenka, P.

1993-01-01

The unsatisfactory situation in water chemistry testing at nuclear power plants with WWER type reactors is described. The testing primarily relies on laboratory analyses of manually taken samples. About 40 samples from one unit are tested per shift, which comprises approximately 250 determinations of various parameters. The time between two determinations is no shorter than 4 to 6 hours, thus rapid parameter changes between two determinations fail to be monitored. A novel system of automated chemistry monitoring is outlined, feasible for WWER type reactors. The system comprises 10 sets of sensors for monitoring all the relevant chemistry parameters of both the primary and secondary coolant circuits. Each sensor set has its own autonomous computer which secures its function even in case of loss of the chemical information network. The entire system is controlled by a master computer which also collects the results and provides contact with the power plant's information system. (Z.S.). 1 fig

Beyond Clickers, Next Generation Classroom Response Systems for Organic Chemistry

Science.gov (United States)

Shea, Kevin M.

2016-01-01

Web-based classroom response systems offer a variety of benefits versus traditional clicker technology. They are simple to use for students and faculty and offer various question types suitable for a broad spectrum of chemistry classes. They facilitate active learning pedagogies like peer instruction and successfully engage students in the…

Radiation chemistry

International Nuclear Information System (INIS)

Swallow, A.J.

1983-01-01

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

Constraining Phosphorus Chemistry in Carbon- and Oxygen-Rich Circumstellar Envelopes: Observations of PN, HCP, and CP

Science.gov (United States)

Milam, S. N.; Halfen, D. T.; Tenenbaum, E. D.; Apponi, A. J.; Woolf, N. J.; Ziurys, L. M.

2008-09-01

Millimeter-wave observations of PN, CP, and HCP have been carried out toward circumstellar envelopes of evolved stars using the Arizona Radio Observatory (ARO). HCP and PN have been identified in the carbon-rich source CRL 2688 via observations at 1 mm using the Submillimeter Telescope (SMT) and 2-3 mm with the Kitt Peak 12 m. An identical set of measurements were carried out toward IRC +10216, as well as observations of CP at 1 mm. PN was also observed toward VY Canis Majoris (VY CMa), an oxygen-rich supergiant star. The PN and HCP line profiles in CRL 2688 and IRC +10216 are roughly flat topped, indicating unresolved, optically thin emission; CP, in contrast, has a distinct "U" shape in IRC +10216. Modeling of the line profiles suggests abundances, relative to H2, of f(PN) ~ (3-5) × 10-9 and f(HCP) ~ 2 × 10-7 in CRL 2688, about an order of magnitude higher than in IRC +10216. In VY CMa, f(PN) is ~4 × 10-8. The data in CRL 2688 and IRC +10216 are consistent with LTE formation of HCP and PN in the inner envelope, as predicted by theoretical calculations, with CP a photodissociation product at larger radii. The observed abundance of PN in VY CMa is a factor of 100 higher than LTE predictions. In IRC +10216, the chemistry of HCP/CP mimics that of HCN/CN and suggests an N2 abundance of f ~ 1 × 10-7. The chemistry of phosphorus appears active in both carbon- and oxygen-rich envelopes of evolved stars.

Transuranic Computational Chemistry.

Science.gov (United States)

Kaltsoyannis, Nikolas

2018-02-26

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

Moderator Chemistry Program

International Nuclear Information System (INIS)

Dewitt, L.V.; Gibbs, A.; Lambert, D.P.; Bohrer, S.R.; Fanning, R.L.; Houston, M.W.; Stinson, S.L.; Deible, R.W.; Abdel-Khalik, S.I.

1990-11-01

Over the past fifteen months, the Systems Chemistry Group of the Reactor Engineering Department has undertaken a comprehensive study of the Department's moderator chemistry program at Savannah River Site (SRS). An internal review was developed to formalize and document this program. Objectives were as outlined in a mission statement and action plan. In addition to the mission statement and action plan, nine separate task reports have been issued during the course of this study. Each of these task reports is included in this document as a chapter. This document is an organized compilation of the individual reports issued by the Systems Chemistry Group in assessment of SRS moderator chemistry to determine if there were significant gaps in the program as ft existed in October, 1989. While these reviews found no significant gaps in that mode of operation, or any items that adversely affected safety, items were identified that could be improved. Many of the items have already been dear with or are in the process of completion under this Moderator Chemistry Program and other Reactor Restart programs. A complete list of the items of improvement found under this assessment is found in Chapter 9, along with a proposed time table for correcting remaining items that can be improved for the chemistry program of SRS reactors. An additional external review of the moderator chemistry processes, recommendations, and responses to/from the Reactor Corrosion Mitigation Committee is included as Appendix to this compilation

Radiation chemistry of biologically compatible polymers

International Nuclear Information System (INIS)

Hill, D.J. T.; Pomery, P.J.; Saadat, G.; Whittaker, A.K.

1996-01-01

Full text: Poly (2-hydroxy ethyl methacrylate) [PHEMA] and poly (2-ethoxy ethyl methacrylate) [PEEMA] are of biomedical and industrial interest due to their biocompatibility with living tissue. In this paper the effect of high energy radiation on these polymers is reported. PHEMA and PEEMA have similar molecular structures to poly (methyl methacrylate)[PMMA], and the γ irradiation of this polymer is well understood. Hence the radiation chemistry of PMMA is used as model system for the the analysis of the radiation chemistry of these polymers. The mechanism of the radiation induced chemistry of the polymers has been investigated using a range of techniques including electron spin resonance spectroscopy (ESR) to establish free radical pathways, GC to identify small molecule volatile products, NMR to identify small molecule radiation products and Gel Permeation Chromatography (GPC) to determine molecular weight changes. Whilst much of the major part of the radiation chemistry can be attributed to similar reactions which can be observed in PMMA, there are a number of new radicals which are present as a result of the influence of the side chain interactions which reduces the mobility of the polymer chain

A four-dimensional variational chemistry data assimilation scheme for Eulerian chemistry transport modeling

Science.gov (United States)

Eibern, Hendrik; Schmidt, Hauke

1999-08-01

The inverse problem of data assimilation of tropospheric trace gas observations into an Eulerian chemistry transport model has been solved by the four-dimensional variational technique including chemical reactions, transport, and diffusion. The University of Cologne European Air Pollution Dispersion Chemistry Transport Model 2 with the Regional Acid Deposition Model 2 gas phase mechanism is taken as the basis for developing a full four-dimensional variational data assimilation package, on the basis of the adjoint model version, which includes the adjoint operators of horizontal and vertical advection, implicit vertical diffusion, and the adjoint gas phase mechanism. To assess the potential and limitations of the technique without degrading the impact of nonperfect meteorological analyses and statistically not established error covariance estimates, artificial meteorological data and observations are used. The results are presented on the basis of a suite of experiments, where reduced records of artificial "observations" are provided to the assimilation procedure, while other "data" is retained for performance control of the analysis. The paper demonstrates that the four-dimensional variational technique is applicable for a comprehensive chemistry transport model in terms of computational and storage requirements on advanced parallel platforms. It is further shown that observed species can generally be analyzed, even if the "measurements" have unbiased random errors. More challenging experiments are presented, aiming to tax the skill of the method (1) by restricting available observations mostly to surface ozone observations for a limited assimilation interval of 6 hours and (2) by starting with poorly chosen first guess values. In this first such application to a three-dimensional chemistry transport model, success was also achieved in analyzing not only observed but also chemically closely related unobserved constituents.

AECL research programs in chemistry

International Nuclear Information System (INIS)

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

1980-09-01

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

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

International Nuclear Information System (INIS)

Sarott, F.-A.

2005-01-01

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

BWR chromium chemistry

International Nuclear Information System (INIS)

Baston, V.F.; Indig, M.E.; Skarpelos, J.M.

1992-10-01

This report addresses the concern about higher total specific conductivity in the reactor recirculation loop water due to the chromate ion. This concern is particularly high at plants where all other ionic species have been reduced through careful attention to makeup and condensate polisher operations. An EPRI Chromate Workshop was held in November 1990 to consider the issues raised by observed levels of chromate ion (generally 5 to 50 ppB). While BWRs on normal water chemistry were the only ones observing chromate, even plants on hydrogen water chemistry (HWC) observe sharp spikes of conductivity due to chromate whenever the hydrogen supply was interrupted after a reasonably long HWC operational period. The consensus of the workshop attendees was that chromate was not a concern as an agent causing pipe cracking compared to the more common species such as chloride and sulfate. However, the data are somewhat ambiguous for levels of chromate above 50 ppB. Adjustments to the weighing factors for the various ionic species in the industry chemistry performance index are suggested to allow for the known relative higher aggressiveness of other species relative to that of chromate

Analysis of the isoprene chemistry observed during the New England Air Quality Study (NEAQS) 2002 intensive experiment

Science.gov (United States)

Roberts, James M.; Marchewka, Mathew; Bertman, Steven B.; Goldan, Paul; Kuster, William; de Gouw, Joost; Warneke, Carsten; Williams, Eric; Lerner, Brian; Murphy, Paul; Apel, Eric; Fehsenfeld, Fred C.

2006-12-01

Isoprene and its first and second generation photochemical products, methyl vinyl ketone (MVK), methacrolein (MACR), and peroxymethacrylic nitric anhydride (MPAN), were measured off the coast of New England during the 2002 New England Air Quality Study (NEAQS) on board the NOAA Research Vessel Ronald H. Brown. The results of these measurements were analyzed using a simple sequential reaction model that has been used previously to examine regional oxidant chemistry. The highest isoprene impact was observed in air masses that had passed over an area of high isoprene emission WSW of Boston. The relative concentrations of isoprene and its first generation products show that the photochemistry is consistently "older" than the isoprene photochemistry observed at continental sites. The sequential reaction model was also applied to the aldehyde-PANs (Peroxycarboxylic nitric anhydride) system, and the resulting PPN (peroxypropionic nitric anhydride)/propanal and PAN (peroxyacetic nitric anhydride)/acetaldehyde relationships were consistent with additional sources of PAN in this environment, e.g., isoprene photochemistry. This isoprene source was estimated to result in approximately 1.6 to 4 times more PAN in this environment relative to that produced from anthropogenic VOCs (volatile organic compounds) alone.

Rayleigh lidar observation of tropical mesospheric inversion layer: a comparison between dynamics and chemistry

Directory of Open Access Journals (Sweden)

Ramesh K.

2018-01-01

Full Text Available The Rayleigh lidar at National Atmospheric Research Laboratory, Gadanki (13.5°N, 79.2°E, India operates at 532 nm green laser with ~600 mJ/pulse since 2007. The vertical temperature profiles are derived above ~30 km by assuming the atmosphere is in hydrostatic equilibrium and obeys ideal gas law. A large mesospheric inversion layer (MIL is observed at ~77.4-84.6 km on the night of 22 March 2007 over Gadanki. Although dynamics and chemistry play vital role, both the mechanisms are compared for the occurrence of the MIL in the present study.

Rayleigh lidar observation of tropical mesospheric inversion layer: a comparison between dynamics and chemistry

Science.gov (United States)

Ramesh, K.; Sridharan, S.; Raghunath, K.

2018-04-01

The Rayleigh lidar at National Atmospheric Research Laboratory, Gadanki (13.5°N, 79.2°E), India operates at 532 nm green laser with 600 mJ/pulse since 2007. The vertical temperature profiles are derived above 30 km by assuming the atmosphere is in hydrostatic equilibrium and obeys ideal gas law. A large mesospheric inversion layer (MIL) is observed at 77.4-84.6 km on the night of 22 March 2007 over Gadanki. Although dynamics and chemistry play vital role, both the mechanisms are compared for the occurrence of the MIL in the present study.

Conference 'Chemistry of hydrides' Proceedings

International Nuclear Information System (INIS)

1991-07-01

This collection of thesis of conference of Chemistry hydrides presents the results of investigations concerning of base questions of chemistry of nonorganic hydrides, including synthesis questions, studying of physical and chemical properties, thermodynamics, analytical chemistry, investigation of structure, equilibriums in the systems of metal-hydrogen, behaviour of nonorganic hydrides in non-water mediums and applying investigations in the chemistry area and technology of nonorganic hydrides

Substantial secondary organic aerosol formation in a coniferous forest: observations of both day- and nighttime chemistry

Directory of Open Access Journals (Sweden)

A. K. Y. Lee

2016-06-01

Full Text Available Substantial biogenic secondary organic aerosol (BSOA formation was investigated in a coniferous forest mountain region in Whistler, British Columbia. A largely biogenic aerosol growth episode was observed, providing a unique opportunity to investigate BSOA formation chemistry in a forested environment with limited influence from anthropogenic emissions. Positive matrix factorization of aerosol mass spectrometry (AMS measurement identified two types of BSOA (BSOA-1 and BSOA-2, which were primarily generated by gas-phase oxidation of monoterpenes and perhaps sesquiterpenes. The temporal variations of BSOA-1 and BSOA-2 can be explained by gas–particle partitioning in response to ambient temperature and the relative importance of different oxidation mechanisms between day and night. While BSOA-1 arises from gas-phase ozonolysis and nitrate radical chemistry at night, BSOA-2 is likely less volatile than BSOA-1 and consists of products formed via gas-phase oxidation by OH radical and ozone during the day. Organic nitrates produced through nitrate radical chemistry can account for 22–33 % of BSOA-1 mass at night. The mass spectra of BSOA-1 and BSOA-2 have higher values of the mass fraction of m/z 91 (f91 compared to the background organic aerosol. Using f91 to evaluate BSOA formation pathways in this unpolluted, forested region, heterogeneous oxidation of BSOA-1 is a minor production pathway of BSOA-2.

Real time water chemistry monitoring and diagnostics

International Nuclear Information System (INIS)

Gaudreau, T.M.; Choi, S.S.

2002-01-01

EPRI has produced a real time water chemistry monitoring and diagnostic system. This system is called SMART ChemWorks and is based on the EPRI ChemWorks codes. System models, chemistry parameter relationships and diagnostic approaches from these codes are integrated with real time data collection, an intelligence engine and Internet technologies to allow for automated analysis of system chemistry. Significant data management capabilities are also included which allow the user to evaluate data and create automated reporting. Additional features have been added to the system in recent years including tracking and evaluation of primary chemistry as well as the calculation and tracking of primary to secondary leakage in PWRs. This system performs virtual sensing, identifies normal and upset conditions, and evaluates the consistency of on-line monitor and grab sample readings. The system also makes use of virtual fingerprinting to identify the cause of any chemistry upsets. This technology employs plant-specific data and models to determine the chemical state of the steam cycle. (authors)

A review of drug delivery systems based on nanotechnology and green chemistry: green nanomedicine

Directory of Open Access Journals (Sweden)

Jahangirian H

2017-04-01

Full Text Available Hossein Jahangirian,1 Ensieh Ghasemian Lemraski,2 Thomas J Webster,1 Roshanak Rafiee-Moghaddam,3 Yadollah Abdollahi4 1Department of Chemical Engineering, Northeastern University, Boston, MA, USA; 2Department of Chemistry, Faculty of Science, Ilam University, Ilam, Iran; 3School of Chemical Sciences and Food Technology, Faculty of Science and Technology, Universiti Kebangsaan Malaysia, Selangor, 4Department of Electrical Engineering, Faculty of Engineering, University of Malaysia, Kuala Lumpur, Malaysia Abstract: This review discusses the impact of green and environmentally safe chemistry on the field of nanotechnology-driven drug delivery in a new field termed “green nanomedicine”. Studies have shown that among many examples of green nanotechnology-driven drug delivery systems, those receiving the greatest amount of attention include nanometal particles, polymers, and biological materials. Furthermore, green nanodrug delivery systems based on environmentally safe chemical reactions or using natural biomaterials (such as plant extracts and microorganisms are now producing innovative materials revolutionizing the field. In this review, the use of green chemistry design, synthesis, and application principles and eco-friendly synthesis techniques with low side effects are discussed. The review ends with a description of key future efforts that must ensue for this field to continue to grow. Keywords: green chemistry, cancer, drug delivery, nanoparticle

Problem-based learning in teaching chemistry: enthalpy changes in systems

Science.gov (United States)

Ayyildiz, Yildizay; Tarhan, Leman

2018-01-01

Problem-based learning (PBL) as a teaching strategy has recently become quite widespread in especially chemistry classes. Research has found that students, from elementary through college, have many alternative conceptions regarding enthalpy changes in systems. Although there are several studies focused on identifying student alternative conceptions and misunderstandings of this subject, studies on preventing the formation of these alternative conceptions are limited.

Titan: a laboratory for prebiological organic chemistry

Science.gov (United States)

Sagan, C.; Thompson, W. R.; Khare, B. N.

1992-01-01

When we examine the atmospheres of the Jovian planets (Jupiter, Saturn, Uranus, and Neptune), the satellites in the outer solar system, comets, and even--through microwave and infrared spectroscopy--the cold dilute gas and grains between the stars, we find a rich organic chemistry, presumably abiological, not only in most of the solar system but throughout the Milky Way galaxy. In part because the composition and surface pressure of the Earth's atmosphere 4 x 10(9) years ago are unknown, laboratory experiments on prebiological organic chemistry are at best suggestive; but we can test our understanding by looking more closely at the observed extraterrestrial organic chemistry. The present Account is restricted to atmospheric organic chemistry, primarily on the large moon of Saturn. Titan is a test of our understanding of the organic chemistry of planetary atmospheres. Its atmospheric bulk composition (N2/CH4) is intermediate between the highly reducing (H2/He/CH4/NH3/H2O) atmospheres of the Jovian planets and the more oxidized (N2/CO2/H2O) atmospheres of the terrestrial planets Mars and Venus. It has long been recognized that Titan's organic chemistry may have some relevance to the events that led to the origin of life on Earth. But with Titan surface temperatures approximately equal to 94 K and pressures approximately equal to 1.6 bar, the oceans of the early Earth have no ready analogue on Titan. Nevertheless, tectonic events in the water ice-rich interior or impact melting and slow re-freezing may lead to an episodic availability of liquid water. Indeed, the latter process is the equivalent of a approximately 10(3)-year-duration shallow aqueous sea over the entire surface of Titan.

Research in radiation chemistry

International Nuclear Information System (INIS)

Silverman, J.

1974-01-01

In the survey the author discusses phenomena which are unique to radiation chemistry, as well as those in which radiation chemistry research plays a principal role. Works in this field such as spur phenomena and effects of scavengers in the radiolysis of water and liquid alkane, intraspur effects in styrene and polymerization of styrene at high dose rates are presented. The problem of the missing hydrogen atoms in irradiated alkanes needs answer and sensitization of crosslinking reactions may involve some unique aspects of radiation chemistry. Pairwise trapping of radicals in irradiated n-hydrocarbons have been observed in ESP-spectra. A well defined spectrum of radical pairs when the crystals of n-eicosane is irradiated and observed at 77 deg K. The nature of the spectrum, its changes with temperature and the effect of LET is discussed in the paper. (M.S.)

Experimental research of the impact of the dosing of chemical reagents on the dynamic behavior of regulation system of cycle chemistry

Science.gov (United States)

Yegoshina, O. V.; Bolshakova, N. A.

2017-11-01

Organization of reliable chemical control for maintaining cycle chemistry is one of the most important problems to be solved at the present time the design and operation of thermal power plants. To maintain optimal parameters of cycle chemistry are used automated chemical control system and regulation system of dosing chemical reagents. Reliability and stability analyzer readings largely determine the reliability of the water cycle chemistry. Now the most common reagents are ammonia, alkali and film-forming amines. In this paper are presented the results of studies of the impact of concentration and composition of chemical reagents for readings stability of automatic analyzers and transients time of control systems for cycles chemistry. Research of the impact of chemical reagents on the dynamic behavior of regulation system for cycle chemistry was conducted at the experimental facility of the Department of thermal power stations of the Moscow Engineering Institute. This experimental facility is model of the work of regulation system for cycle chemistry close to the actual conditions on the energy facilities CHP. Analysis of results of the impact of chemical reagent on the dynamic behavior of ammonia and film forming amines dosing systems showed that the film-forming amines dosing system is more inertia. This emphasizes the transition process of the system, in which a half times longer dosing of ammonia. Results of the study can be used to improve the monitoring systems of water chemical treatment.

Advances in electron transfer chemistry

CERN Document Server

Mariano, Patrick S

1993-01-01

Advances in Electron Transfer Chemistry, Volume 3 presents studies that discuss findings in the various aspects of electron chemistry. The book is comprised of four chapters; each chapter reviews a work that tackles an issue in electron transfer chemistry. Chapter 1 discusses the photoinduced electron transfer in flexible biaryl donor-acceptor molecules. Chapter 2 tackles light-induced electron transfer in inorganic systems in homogeneous and heterogeneous phases. The book also covers internal geometry relaxation effects on electron transfer rates of amino-centered systems. The sequential elec

Improvements of primary coolant shutdown chemistry and reactor coolant system cleanup

International Nuclear Information System (INIS)

Gaudard, G.; Gilles, B.; Mesnage, F.; Cattant, F.

2002-01-01

In the framework of a radiation exposure management program entitled >, EDF aims at decreasing the mass dosimetry of nuclear power plants workers. So, the annual dose per unit, which has improved from 2.44 m.Sv in 1991 to 1.08 in 2000, should target 0.8 mSv in the year 2005 term in order to meet the results of the best nuclear operators. One of the guidelines for irradiation source term reduction is the optimization of operation parameters, including reactor coolant system (RCS) chemistry in operation, RCS shutdown chemistry and RCS cleanup improvement. This paper presents the EDF strategy for the shutdown and start up RCS chemistry optimization. All the shutdown modes have been reviewed and for each of them, the chemical specifications will be fine tuned. A survey of some US PWRs shutdown practices has been conducted for an acid and reducing shutdown chemistry implementation test at one EDF unit. This survey shows that deviating from the EPRI recommended practice for acid and reducing shutdown chemistry is possible and that critical path impact can be minimized. The paper also presents some investigations about soluble and insoluble species behavior and characterization; the study focuses here on 110m Ag, 122 Sb, 124 Sb and iodine contamination. Concerning RCS cleanup improvement, the paper presents two studies. The first one highlights some limited design modifications that are either underway or planned, for an increased flow rate during the most critical periods of the shutdown. The second one focuses on the strategy EDF envisions for filters and resins selection criteria. Matching the study on contaminants behavior with the study of filters and resins selection criteria should allow improving the cleanup efficiency. (authors)

On-line chemistry monitoring for the secondary side

International Nuclear Information System (INIS)

Anon.

1990-01-01

Babcock and Wilcox (B and W) has developed a computerized water chemistry data acquisition and management system for nuclear plant secondary coolant systems. The Integrated Water Chemistry Monitoring System (IWCMS) provides on-line monitoring of conditions and rapid trend analysis of sampled data. So far it has been installed at GPU Three Mile Island unit 1 and at Toledo Edison Davis-Besse. The IWCMS meets the following utility needs for monitoring power plant chemistry: control of chemistry conditions to minimize corrosion and extend component/system life; continuous analysis of data from on-line detectors and grab samples; expediting of transient recovery actions with trend, alarm and evaluation capability; provision for rapid sharing of useful operational chemistry information; concentration of attention on evaluation instead of data manipulation. The system is composed of three functional parts: data acquisition hardware; PC-based computer system and customised system software. (author)

Reinventing Chemistry

OpenAIRE

Whitesides, George McClelland

2015-01-01

Chemistry is in a period of change, from an era focused on molecules and reactions, to one in which manipulations of systems of molecules and reactions will be essential parts of controlling larger systems. This Essay traces paths from the past to possible futures.

Water chemistry data acquisition, processing, evaluation and diagnostic systems in Light Water Reactors: Future improvement of plant reliability and safety

International Nuclear Information System (INIS)

Uchida, S.; Takiguchi, H.; Ishigure, K.

2006-01-01

Data acquisition, processing and evaluation systems have been applied in major Japanese PWRs and BWRs to provide (1) reliable and quick data acquisition with manpower savings in plant chemical laboratories and (2) smooth and reliable information transfer among chemists, plant operators, and supervisors. Data acquisition systems in plants consist of automatic and semi-automatic instruments for chemical analyses, e. g., X-ray fluorescence analysis and ion chromatography, while data processing systems consist of PC base-sub-systems, e.g., data storage, reliability evaluation, clear display, and document preparation for understanding the plant own water chemistry trends. Precise and reliable evaluations of water chemistry data are required in order to improve plant reliability and safety. For this, quality assurance of the water chemistry data acquisition system is needed. At the same time, theoretical models are being applied to bridge the gaps between measured water chemistry data and the information desired to understand the interaction of materials and cooling water in plants. Major models which have already been applied for plant evaluation are: (1) water radiolysis models for BWRs and PWRs; (2) crevice radiolysis model for SCC in BWRs; and (3) crevice pH model for SG tubing in PWRs. High temperature water chemistry sensors and automatic plant diagnostic systems have been applied in only restricted areas. ECP sensors are gaining popularity as tools to determine the effects of hydrogen injection in BWR systems. Automatic plant diagnostic systems based on artificial intelligence will be more popular after having sufficient experience with off line diagnostic systems. (author)

A review of drug delivery systems based on nanotechnology and green chemistry: green nanomedicine.

Science.gov (United States)

Jahangirian, Hossein; Lemraski, Ensieh Ghasemian; Webster, Thomas J; Rafiee-Moghaddam, Roshanak; Abdollahi, Yadollah

2017-01-01

This review discusses the impact of green and environmentally safe chemistry on the field of nanotechnology-driven drug delivery in a new field termed "green nanomedicine". Studies have shown that among many examples of green nanotechnology-driven drug delivery systems, those receiving the greatest amount of attention include nanometal particles, polymers, and biological materials. Furthermore, green nanodrug delivery systems based on environmentally safe chemical reactions or using natural biomaterials (such as plant extracts and microorganisms) are now producing innovative materials revolutionizing the field. In this review, the use of green chemistry design, synthesis, and application principles and eco-friendly synthesis techniques with low side effects are discussed. The review ends with a description of key future efforts that must ensue for this field to continue to grow.

Chemistry and cosmology.

Science.gov (United States)

Black, John H

2006-01-01

The simplest elements, hydrogen and helium, offer a remarkably rich chemistry, which has controlled crucial features of the early evolution of the universe. Theoretical models of the origin of structure (stars, galaxies, clusters of galaxies, etc.) now incorporate this chemistry in some detail. In addition to the origin of structure, cosmologists are concerned with observational tests of competing world models. Primordial chemistry may give rise to some of the earliest departures from thermodynamic equilibrium in the universe. These effects may be observable as broad-band spectroscopic distortions of the cosmic background radiation, which otherwise exhibits a nearly perfect blackbody spectrum. The chemical history of the expanding universe is followed through a detailed calculation of the evolution of the abundances of H, H+, H-, H2, H2+, H3+, and other minor species. It is shown that continuous absorption by the small concentration of H- can produce a distortion in the cosmic background spectrum with a maximum at a frequency near nu/c = 9 cm-1 (wavelength 1.1 mm). The predicted effect lies only a factor of 5 below current limits. Its detection would provide an important test of our understanding of the recombination epoch of the universe.

Field and laboratory emission cell automation and control system for investigating surface chemistry reactions

Science.gov (United States)

Flemmer, Michael M.; Ham, Jason E.; Wells, J. R.

2007-01-01

A novel system [field and laboratory emission cell (FLEC) automation and control system] has been developed to deliver ozone to a surface utilizing the FLEC to simulate indoor surface chemistry. Ozone, humidity, and air flow rate to the surface were continuously monitored using an ultraviolet ozone monitor, humidity, and flow sensors. Data from these sensors were used as feedback for system control to maintain predetermined experimental parameters. The system was used to investigate the chemistry of ozone with α-terpineol on a vinyl surface over 72h. Keeping all other experimental parameters the same, volatile organic compound emissions from the vinyl tile with α-terpineol were collected from both zero and 100ppb(partsper109) ozone exposures. System stability profiles collected from sensor data indicated experimental parameters were maintained to within a few percent of initial settings. Ozone data from eight experiments at 100ppb (over 339h) provided a pooled standard deviation of 1.65ppb and a 95% tolerance of 3.3ppb. Humidity data from 17 experiments at 50% relative humidity (over 664h) provided a pooled standard deviation of 1.38% and a 95% tolerance of 2.77%. Data of the flow rate of air flowing through the FLEC from 14 experiments at 300ml/min (over 548h) provided a pooled standard deviation of 3.02ml/min and a 95% tolerance range of 6.03ml/min. Initial experimental results yielded long term emissions of ozone/α-terpineol reaction products, suggesting that surface chemistry could play an important role in indoor environments.

Role of the H bond network in the radiation chemistry of hydrated systems

International Nuclear Information System (INIS)

Pommeret, S.; Renault, J.P.; Caeer, S.Le; Vigneron, G.; Vuilleumier, R.; Bratos, S.; Leicknam, J.Cl.

2006-01-01

In the present contribution a review of the recent work on the H bond dynamics, in absence of any reactant and a new theory that unambiguously establishes a new link between spectroscopic observation and geometric properties is presented, along with results on the radiation chemistry of nanoporous media and its influence on the H bond network of an interface

Expert system for diagnostics and status monitoring of NPP water chemistry condition

International Nuclear Information System (INIS)

Shvedova, M.N.; Kritski, V.G.; Zakharova, S.V.; Benediktov, V.B.; Nikolaev, F.V.

2002-01-01

Water chemistry condition (WCC) has been the subject of constant study and improvement up to the present day. It is connected with the presence of a direct relationship between the violation of water chemistry regulation on the one hand and components reliability of the circuit's equipment and cost-effectiveness of their operation on the other. It dictates the necessity to apply different optimization methods in the field of monitoring and use of information analytical and diagnostic systems to assess WCC quality, control and support. LI ''VNIPIET'' employees have, for several years, been developing an expert diagnostic system for supporting WCC and status monitoring of RBMK - reactor NPPs [2]. This system has not only conveniently organized the traditional functions of information acquisition and storage, a complete presentation of information in the form of tables, graphs of a dynamical changes of parameters and formation regular reports, diagnostic functions and issuing recommendations on WCC correction, but it also allows the assessment of confidence in the diagnosis made, relying on a wide range of numerical estimates, which were calculated by the use of expert data, and to make a credible prediction of an existing situation development. (authors)

Use of an on-line Fuzzy-logic expert system for water chemistry

International Nuclear Information System (INIS)

Fandrich, J.; Metzner, W.

1998-01-01

The requirements for availability and operating economy of power plants have become steadily more stringent over the last few years. In addition to technological advances (e.g. in the form of new design measures, processes and materials), manufacturers have also increasingly applied secondary measures to enhance the safety and operating economy of power plant units. These include ever more sophisticated process monitoring and analytical systems and, (in recent times) diagnostic systems which perform continuous assessment of the plant condition to allow imminent changes that cam lead to damage and faults to be detected at the earliest possible time. The following paper presents an expert system, based on Fuzzy logic, which is used to perform a wide variety of tasks in the field of NPP water chemistry diagnostics. Thanks to the general nature of the approach selected, the system kernel is identical for all solutions which were implemented despite the wide variety of tasks and their diverse needs. This would not have been possible without the development and application of powerful and flexible engineering tools which can provide solutions to different types of problems at no extra effort. It will be shown in which way the system builds up diagnoses from the collected on-line data via a system -specific and easy- to-learn language and several tools. The presented module DIWA (Diagnostic System of Water Chemistry) was directly derived from the DIGEST system (diagnostic expert system for turbomachinery), which was developed over the last few years at the Power Generation Group (KWU) of the Siemens AG. (author)

New trends and developments in radiation chemistry

International Nuclear Information System (INIS)

1989-10-01

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

NUCLEAR CHEMISTRY ANNUAL REPORT 1970

Energy Technology Data Exchange (ETDEWEB)

Authors, Various

1971-05-01

Papers are presented for the following topics: (1) Nuclear Structure and Nuclear Properties - (a) Nuclear Spectroscopy and Radioactivity; (b) Nuclear Reactions and Scattering; (c) Nuclear Theory; and (d) Fission. (2) Chemical and Atomic Physics - (a) Atomic and Molecular Spectroscopy; and (b) Hyperfine Interactions. (3) Physical, Inorganic, and Analytical Chemistry - (a) X-Ray Crystallography; (b) Physical and Inorganic Chemistry; (c) Radiation Chemistry; and (d) Chemical Engineering. (4) Instrumentation and Systems Development.

Physical-chemical processes of astrophysical interest: nitrogen chemistry

International Nuclear Information System (INIS)

Loison, Jean-Christophe; Hickson, Kevin; Hily-Blant, Pierre; Faure, Alexandre; Vuitton, Veronique; Bacmann, A.; Maret, Sebastien; Legal, Romane; Rist, Claire; Roncero, Octavio; Larregaray, Pascal; Hochlaf, Majdi; Senent, M. L.; Capron, Michael; Biennier, Ludovic; Carles, Sophie; Bourgalais, Jeremy; Le Picard, Sebastien; Cordier, Daniel; Guillemin, Jean-Claude; Trolez, Yann; Bertin, M.; Poderoso, H.A.M.; Michaut, X.; Jeseck, P.; Philippe, L.; Fillion, J.H.; Fayolle, E.C.; Linnartz, H.; Romanzin, C.; Oeberg, K.I.; Roueff, Evelyne; Pagani, Laurent; Padovani, Marco; Wakelam, Veronique; Honvault, Beatrice; Zvereva-Loete, Natalia; Ouk, Chanda-Malis; Scribano, Yohann; Hartmann, J.M.; Pineau des Forets, Guillaume; Hernandez, Mario; Lique, Francois; Kalugina, Yulia N.; Stoecklin, T.; Hochlaf, M.; Crespos, C.; Larregaray, P.; Martin-Gondre, L.; Petuya, R.; Quintas Sanchez, E.L.; Zanchet, Alexandre; Rodriguez-Lazcano, Yamilet; Mate, Belen

2013-06-01

This document contains the programme and abstracts of contributions to a workshop on nitrogen chemistry within an astrophysical perspective. These contributions have been presented in sessions: Introduction (opening lecture, experimental approaches to molecular astrophysics, theoretical approaches to astrophysics, observations in molecular astrophysics), Physical-chemical theory of the gas phase (time-dependent approach in elementary activity, statistic approach in elementary activity in the case of the N+H_2 reaction, potential energy surfaces for inelastic and reactive collisions, collision rate for N_2H"+, ortho/para selection rules in the chemistry of nitrogen hydrides, cyanides/iso-cyanides excitation in the ISM, CN excitation, radiative association with N_2H as new interstellar anion, ro-vibratory excitation of HCN) Laboratory astrophysics (measurement of reaction products in the CRESUSOL project, reactivity of the CN- anion, N_2 photo-desorption in ices, CRESU study of nitrogen chemistry, chemistry of nitrogen complex molecules), Observations and chemistry of astrophysical media (the problem of interstellar nitrogen fractioning, abundance of N_2 in proto-stellar cores, HNC in Titan atmosphere and nitrogen-related mechanisms in hot Jupiters, HCN and HNC in dark clouds or how theoretical modelling helps in interpreting observations, nitrogen chemistry in cold clouds, deuteration of nitrogen hydrides, nitrogen in interstellar ices, biochemical molecules on Titan, coupling between excitation and chemistry, radiative transfer of nitrogen hydrides, ortho/para chemistry of nitrogen hydrides), Physical-chemical theory of gas-grain interactions (nitrogen reactivity on surfaces, IR spectra of ices of NH_3 and NH_3/N_2 mixtures)

Accessing Specific Peptide Recognition by Combinatorial Chemistry

DEFF Research Database (Denmark)

Li, Ming

Molecular recognition is at the basis of all processes for life, and plays a central role in many biological processes, such as protein folding, the structural organization of cells and organelles, signal transduction, and the immune response. Hence, my PhD project is entitled “Accessing Specific...... Peptide Recognition by Combinatorial Chemistry”. Molecular recognition is a specific interaction between two or more molecules through noncovalent bonding, such as hydrogen bonding, metal coordination, van der Waals forces, π−π, hydrophobic, or electrostatic interactions. The association involves kinetic....... Combinatorial chemistry was invented in 1980s based on observation of functional aspects of the adaptive immune system. It was employed for drug development and optimization in conjunction with high-throughput synthesis and screening. (chapter 2) Combinatorial chemistry is able to rapidly produce many thousands...

Spatially Resolved Artificial Chemistry

DEFF Research Database (Denmark)

Fellermann, Harold

2009-01-01

Although spatial structures can play a crucial role in chemical systems and can drastically alter the outcome of reactions, the traditional framework of artificial chemistry is a well-stirred tank reactor with no spatial representation in mind. Advanced method development in physical chemistry has...... made a class of models accessible to the realms of artificial chemistry that represent reacting molecules in a coarse-grained fashion in continuous space. This chapter introduces the mathematical models of Brownian dynamics (BD) and dissipative particle dynamics (DPD) for molecular motion and reaction...

Spatially Resolved Artificial Chemistry

DEFF Research Database (Denmark)

Fellermann, Harold

2009-01-01

made a class of models accessible to the realms of artificial chemistry that represent reacting molecules in a coarse-grained fashion in continuous space. This chapter introduces the mathematical models of Brownian dynamics (BD) and dissipative particle dynamics (DPD) for molecular motion and reaction......Although spatial structures can play a crucial role in chemical systems and can drastically alter the outcome of reactions, the traditional framework of artificial chemistry is a well-stirred tank reactor with no spatial representation in mind. Advanced method development in physical chemistry has...

The Chemistry of Protostellar Jet-Disk Systems

Science.gov (United States)

Codella, Claudio

2017-11-01

The birth of a Sun-like star is a complex game played by several participants whose respective roles are not yet entirely clear. On the one hand, the star-to-be accretes matter from a collapsing envelope. The gravitational energy released in the process heats up the material surrounding the protostar, creating warm regions enriched by interstellar complex organic molecules (iCOMs, at least 6 atoms) called hot-corinos. On the other hand, the presence of angular momentum and magnetic fields leads to two consequences: (i) the formation of circumstellar disks; and (ii) substantial episodes of matter ejection, as e.g. collimated jets. Thanks to the combination of the high-sensitivities and high-angular resolu- tions provided by the advent of new telescopes such as ALMA and NOEMA, it is now possible to image in details the earliest stages of the Sun-like star formation, thus inspecting the inner ( effects connected with the accreting disk. In other words, it is time to study the protostellar jet-disk system as a whole. Several still unanswered questions can be addressed. What is the origin of the chemically enriched hot corinos: are they jet-driven shocked regions? What is the origin of the ejections: are they due to disk or stellar winds? Shocks are precious tool to attack these questions, given they enrich the gas phase with the species deposited onto the dust mantles and/or locked in the refractory dust cores. Basically, we have to deal with two kind of shocks: (i) high-velocity shocks produced by protostellar jets, and (ii) slow accretion shocks located close to the centrifugal barrier of the accretion disks. Both shocks are factories of iCOMs, which can be then efficiently used to follow both the kinematics and the chemistry of the inner protostellar systems. With this in mind, we will discuss recent results obtained in the framework of different observational campaigns at mm and sub-mm wavelengths.

Improving chemistry performance in CANDU plants

International Nuclear Information System (INIS)

Turner, C.; Guzonas, D.

2010-01-01

There is a strong interplay between coolant chemistry and materials selection in any nuclear power plant system. To achieve the design life of reactor components it is necessary to monitor and control relevant chemistry parameters, such as ionic conductivity, pH, concentrations of dissolved ions and redox species (e.g., hydrogen, hydrazine, oxygen) and the concentrations of suspended corrosion products. Chemistry specifications are set to achieve a balance between the sometimes conflicting requirements to minimize corrosion and radiological dose and to minimize operating and maintenance costs over the lifetime of the plant. For the past decade, Atomic Energy of Canada Limited (AECL) has taken a rigorous and disciplined approach to reviewing and updating all aspects of chemistry control in the CANDU® nuclear power plant (NPP). This approach has included proactively reviewing chemistry operating experience from existing CANDU® and other water-cooled NPPs worldwide to identify and address emerging issues, updating all of our chemistry control documentation to ensure that each chemistry parameter is linked to a specific requirement (e.g., reduce activity transport, monitor for condenser leak) and incorporating the latest results from our Research and Development (R and D) programs to ensure that all chemistry specifications are supported by a sound rationale. The results of this review and update have been incorporated into updated chemistry specifications and, in some cases, modified operating procedures for new and existing plants. In addition, recommendations have been made for design modifications to improve chemistry control in new build plants, especially during periods of shutdown and startup when chemistry control has traditionally been more challenging. Chemistry control in new-build CANDU® plants will rely increasingly on the use of on-line instrumentation interfaced directly to AECL's state-of-the-art chemistry monitoring, diagnostics and analysis

Modeling and observational constraints on the sulfur cycle in the marine troposphere: a focus on reactive halogens and multiphase chemistry

Science.gov (United States)

Chen, Q.; Breider, T.; Schmidt, J.; Sherwen, T.; Evans, M. J.; Xie, Z.; Quinn, P.; Bates, T. S.; Alexander, B.

2017-12-01

The radiative forcing from marine boundary layer clouds is still highly uncertain, which partly stems from our poor understanding of cloud condensation nuclei (CCN) formation. The oxidation of dimethyl sulfide (DMS) and subsequent chemical evolution of its products (e.g. DMSO) are key processes in CCN formation, but are generally very simplified in large-scale models. Recent research has pointed out the importance of reactive halogens (e.g. BrO and Cl) and multiphase chemistry in the tropospheric sulfur cycle. In this study, we implement a series of sulfur oxidation mechanisms into the GEOS-Chem global chemical transport model, involving both gas-phase and multiphase oxidation of DMS, DMSO, MSIA and MSA, to improve our understanding of the sulfur cycle in the marine troposphere. DMS observations from six locations around the globe and MSA/nssSO42- ratio observations from two ship cruises covering a wide range of latitudes and longitudes are used to assess the model. Preliminary results reveal the important role of BrO for DMS oxidation at high latitudes (up to 50% over Southern Ocean). Oxidation of DMS by Cl radicals is small in the model (within 10% in the marine troposphere), probably due to an underrepresentation of Cl sources. Multiphase chemistry (e.g. oxidation by OH and O3 in cloud droplets) is not important for DMS oxidation but is critical for DMSO oxidation and MSA production and removal. In our model, about half of the DMSO is oxidized in clouds, leading to the formation of MSIA, which is further oxidized to form MSA. Overall, with the addition of reactive halogens and multiphase chemistry, the model is able to better reproduce observations of seasonal variations of DMS and MSA/nssSO42- ratios.

Evaluation of Biogenic and Fire Emissions in a Global Chemistry Model with NOMADSS, DC3 and SEAC4RS observations

Science.gov (United States)

Emmons, L. K.; Wiedinmyer, C.; Park, M.; Kaser, L.; Apel, E. C.; Guenther, A. B.

2014-12-01

Numerous measurements of compounds produced by biogenic and fire emissions were made during several recent field campaigns in the southeast United States, providing a unique data set for emissions and chemical model evaluation. The NCAR Community Atmosphere Model with Chemistry (CAM-chem) is coupled to the Community Land Model (CLM), which includes the biogenic emissions model MEGAN-v2.1, allowing for online calculation of emissions from vegetation for 150 compounds. Simulations of CAM-chem for summers 2012 and 2013 are evaluated with the aircraft and ground-based observations from DC3, NOMADSS and SEAC4RS. Comparison of directly emitted biogenic species, such as isoprene, terpenes, methanol and acetone, are used to evaluate the MEGAN emissions. Evaluation of oxidation products, including methyl vinyl ketone (MVK), methacrolein, formaldehyde, and other oxygenated VOCs are used to test the model chemistry mechanism. In addition, several biomass burning inventories are used in the model, including FINN, QFED, and FLAMBE, and are compared for their impact on atmospheric composition and ozone production, and evaluated with the aircraft observations.

Research on water chemistry in a nuclear power plant

International Nuclear Information System (INIS)

Chae, Sung Ki; Yang, Kyung Rin; Kang, Hi Dong; Koo, Je Hyoo; Hwang, Churl Kew; Lee, Eun Hee; Han, Jung Ho; Kim, Uh Chul; Kim, Joung Soo; Song, Myung Ho; Lee, Deok Hyun; Jeong, Jong Hwan

1986-12-01

To prevent the corrosion problems on important components of nuclear power plants, the computerization methods of water chemistry and the analyses of corrosion failures were studied. A preliminary study on the computerization of water chemistry log-sheet data was performed using a personal computer with dBASE-III and LOTUS packages. Recent technical informations on a computerized online chemistry data management system which provides an efficient and thorough method of system-wide monitoring of utility's secondary side chemistry were evaluated for the application to KEPCO's nuclear power plants. According to the evaluation of water chemistry data and eddy current test results, it was likely that S/G tube defect type was pitting. Pitting is believed to result from excess oxygen in make-up and air ingress, sea-water ingress bycondenser leak, and copper in sludge. A design of a corrosion tests apparatus for the tests under simulated operational conditions, such as water chemistry, water flow, high temperature and pressure, etc., of the plant has been completed. The completion of these apparatus will make it possible to do corrosion tests under the conditions mentioned above to find out the cause of corrosion failures, and to device a counter measure to these. The result of corrosion tests with alloy-600 showed that the initiation of pits occurred most severely around 175 deg C which is lower than plant-operation temperature(300 deg C) while their propagation rate had trend to be maximum around 90 deg C. It was conformed that the use of Cu-base alloys in a secondary cooling system accelerates the formation of pits by the leaking of sea-water and expected that the replacement of them can reduce the failures of S/G tubes by pitting. Preliminary works on the examination of pit-formed specimens with bare eyes, a metallurgical microscope and a SEM including EDAX analysis were done for the future use of these techniques to investigate S/G tubes. Most of corrosion products

Systems chemistry of α-amino acids and peptides

Directory of Open Access Journals (Sweden)

Danger Grégoire

2014-02-01

Full Text Available Pathways have been disclosed in the past decade, which support the possibility that α-amino acids could have contributed to self-organization processes leading to the emergence of life. It is proposed that the systems chemistry of these simple building blocks may have led to features of self-organization through the realization of protometabolisms based on unidirectional loops involving both peptide formation and breakdown and additional feedback processes. Potential peptide activating agents have been identified. Scenarios of peptide elongation are proposed to account for peptide elongation both at the N-terminus and the C-terminus and new indications that these processes could be involved in symmetry breaking have been provided.

Radiation chemistry; principles and applications

International Nuclear Information System (INIS)

Aziz, F.; Rodgers, M.A.J.

1994-01-01

The book attempts to present those fields of radiation chemistry which depend on the principles of radiation chemistry. The first four chapters are some prelude about radiation chemistry principles with respect to how ionizing radiation interacts with matter, and primary results from these interactions and, which kinetic laws are followed by these primary interactions and which equipment for qualitative studies is necessary. Following chapters included principles fields of radiation chemistry. The last six chapters discussed of principle of chemistry from physical and chemical point of view. In this connection the fundamentals of radiation on biological system is emphasised. On one hand, the importance of it for hygiene and safety as neoplasms therapy is discussed. on the other hand, its industrial importance is presented

Overview of VVER water chemistry

International Nuclear Information System (INIS)

Ganesh, S.; Selvaraj, S.; Balasubramanian, M.R.; Selvavinayagam, P.; Sundar, R.S.

2007-01-01

Kudankulam Nuclear Power project is having twin units of 1000MWe of VVER type. This paper highlights the different analytical techniques that are followed to maintain the system chemistry within the technical specifications. This paper also briefs the different chemicals that are added to the systems and how they are monitored. Basic differences with respect to chemistry between a PHWR and VVER are also highlighted in this paper. (author)

Expert System for Diagnostics and Status Monitoring of NPP Water Chemistry Condition

International Nuclear Information System (INIS)

Shvedova, M.N.; Kritski, V.G.; Zakharova, S.V.; Nikolaev, F.V.; Benediktov, V.B.

2002-01-01

Water chemistry condition (WCC) has been the subject of constant study and improvement up to the present day. It is connected with the presence of a direct relationship between the violation of water chemistry regulation on the one hand and components reliability of the circuit's equipment and cost-effectiveness of their operation on the other. It dictates the necessity to apply different optimization methods in the field of monitoring and use of information - analytical and diagnostic systems to assess WCC quality, control and support. By now NPP experts have broad experience in revealing and removing the causes of WCC disturbances. However this knowledge is often of an intuitive, non-classified nature, scattered among various working documents, which makes their transfer difficult. Based on what has been mentioned above, special attention is currently being paid to the problem of creating expert diagnostic systems for supporting the optimum WCC. The existing developments in this field (DIWA, Smart chem Works, the water quality control system at the Onagava NPP etc. [1,3,4,5] are based on wide use of experts' knowledge. Such expert diagnostic systems for supporting WCC refer to the new generation of intellectual control methods, which allow the incorporation of the latest achievements both in the field of water chemistry simulation and in the field of artificial intelligence and computer technologies. LI 'VNIPIET' employees have, for several years, been developing an expert diagnostic system for supporting WCC and status monitoring of RBMK - reactor NPPs [2]. This system has not only conveniently organized the traditional functions of information acquisition and storage, a complete presentation of information in the form of tables, graphs of a dynamical changes of parameters and formation regular reports, diagnostic functions and issuing recommendations on WCC correction, but it also allows the assessment of confidence in the diagnosis made, relying on a wide

Current developments in radiation chemistry

International Nuclear Information System (INIS)

Cooper, R.

2000-01-01

Full text: The theme of the 2000 Gordon Conference on Radiation Chemistry was 'diversity'. The range of topics covered was heralded by the opening presentations which went from the galactic to molecular biology, radiation chemistry and non thermal surface processes in the outer solar system to achievements and open challenges in DNA research. The rest of the conference reflected the extended usage of radiation chemistry -its processes and techniques - applied to a panorama of topics. The ability to generate either oxidising or reducing free radicals in known quantities has been the foundation stone on which all applications are based. In particular it is noticeable that biological systems have been attempted by an increasing number of workers, such as studies of biological ageing and also reactions of nitric oxide in biological environments. Electron transfer processes in proteins are straightforward applications of solvated electron chemistry even if the results are not straightforward in their interpretation. Other topics presented include, radiation chemical processes induced in: supercritical CO 2 , treatment of contaminated materials, 3-dimensional Fullerenes, zeolites and radiation catalysis. In material science, aspects of ions and excited states in polymers, conducting polymers, donor acceptor processes in photo curing, enhancement of photo-electron yields in doped silver halides- improvement of the photographic process, radiation chemistry in cages and bubbles are discussed. The fundamental aspects of radiation chemistry are not yet all worked out. Subpicosecond pulsed electron beam sources, some of them 'tabletop', are still being planned to probe the early events in radiation chemistry both in water and in organic solvents. There is still an interest in the chemistry produced by pre-solvated electrons and the processes induced by heavy ion radiolysis. The description of the relaxation of an irradiated system which contains uneven distributions of ions

An overview of KANUPP operating experience in chemistry

International Nuclear Information System (INIS)

Hashmi, T.

2010-01-01

KANUPP is a small CANDU® type PHWR (137MWe), commissioned in 1972 and now operating after life extension (PLEX) since 2004. This paper contains an overview of the plant operating experience in chemistry control over the past year including life extension period. Emphasis is on: Success story; Practices; Future improvements in chemistry programs. Considerable efforts are underway to maintain plant equipment and systems to mitigate the effect of plant ageing. The improvements that have been made at the station are as under: Heat transport system (HTS) chemistry, its effects on construction material; Feed water chemistry on secondary side (considering the condenser leaks). Strict chemistry control is being exercised for the heat transport system (HTS) for its better chemistry control. For short term, the changes are limited to pH adjustments of HTS. This change decreases the rate of thinning of outlet feeders as noted in some CANDUs® due to flow accelerated corrosion (FAC). Water Treatment Plant has been refurbished to get very low total dissolved solids (TDS) de-mineralized water for secondary side systems of the plant. Experience of steam generators flushing before startup, sludge pile analyses mapping, verification of pH from different sampling points of SGs, are the short term mitigating actions to address sludge pile problem in steam generators (SGs). The R and D on HTS and SGs is multifaceted and is aimed at achieving optimum chemistry control. Study is being conducted for improving chemistry control for the material, equipment and systems of the plant. (author)

Extending atomistic scale chemistry to mesoscale model of condensed-phase deflagration

Science.gov (United States)

Joshi, Kaushik; Chaudhuri, Santanu

2017-01-01

Predictive simulations connecting chemistry that follow the shock or thermal initiation of energetic materials to subsequent deflagration or detonation events is currently outside the realm of possibilities. Molecular dynamics and first-principles based dynamics have made progress in understanding reactions in picosecond to nanosecond time scale. Results from thermal ignition of different phases of RDX show a complex reaction network and emergence of a deterministic behavior for critical temperature before ignition and hot spot growth rates. The kinetics observed is dependent on the hot spot temperature, system size and thermal conductivity. For cases where ignition is observed, the incubation period is dominated by intermolecular and intramolecular hydrogen transfer reactions. The gradual temperature and pressure increase in the incubation period is accompanied by accumulation of heavier polyradicals. The challenge of connecting such chemistry in mesoscale simulations remain in reducing the complexity of chemistry. The hot spot growth kinetics in RDX grains and interfaces is an important challenge for reactive simulations aiming to fill in the gaps in our knowledge in the nanoseconds to microseconds time scale. The results discussed indicate that the mesoscale chemistry may include large polyradical molecules in dense reactive mix reaching an instability point at certain temperatures and pressures.

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

Directory of Open Access Journals (Sweden)

H. Riede

2009-12-01

chemistry. Under certain prerequisites described here, the results can be used to complement observations with detailed information about the history of observed air masses.

CANDU fuel deposits and chemistry optimizations. Recent regulatory experience in Canadian Nuclear Power Plants

International Nuclear Information System (INIS)

Kameswaran, Ram

2014-01-01

Water chemistry of the Primary Heat Transport System (PHT) of CANDU – Pressurised Heavy Water Reactors profoundly influences the transport of corrosion products around the Heat Transport System (HTS), where they can be deposited as crud on steam generators, feeder pipes and on the fuel. Fuel cladding can be covered with deposits which have precipitated from the coolant as a result of temperature changes or non-optimal coolant pH. Precipitation of deposits in-core must be avoided as far as possible, as it leads to fouling of the fuel, loss of heat transfer efficiency, and increased radiation fields. In the recent years a Canadian NPP experienced increased instances of black deposits being observed on fuel bundles discharged from one of the units. The black deposits were initially observed in 2008 during in-bay fuel inspections. Since then it has been determined that all the discharged fuel bundles have black deposits on them and that observed deposits have been increasing in size (thickness and surface area). This negative trend has persisted through to 2012, when one of fuel bundles was observed with significantly larger deposit than previously seen. Initial analysis of the deposit indicated it to be iron oxide (magnetite). Flow Accelerated Corrosion (FAC) of carbon steel feeder pipes is the primary source of iron, which deposits as magnetite on HTS surfaces. The black deposits have predominantly been located immediately downstream of the bearing pads of the fuel bundle. Deposits have also tended to form on the bottom-downstream quadrant of the fuel bundles. The deposits were most prevalent in low power channels, but some deposits have been observed on high power channels. It was reported by the utility that the PHT system chemistry has been maintained in specification for most of the time during normal operation but the chemistry control during outages was inadequate. Due to design constraints, purification circuit was not available during outages and ion

DOE fundamentals handbook: Chemistry

International Nuclear Information System (INIS)

1993-01-01

The Chemistry Handbook was developed to assist nuclear facility operating contractors in providing operators, maintenance personnel, and the technical staff with the necessary fundamentals training to ensure a basic understanding of chemistry. The handbook includes information on the atomic structure of matter; chemical bonding; chemical equations; chemical interactions involved with corrosion processes; water chemistry control, including the principles of water treatment; the hazards of chemicals and gases, and basic gaseous diffusion processes. This information will provide personnel with a foundation for understanding the chemical properties of materials and the way these properties can impose limitations on the operation of equipment and systems

BWR normal water chemistry guidelines: 1986 revision

International Nuclear Information System (INIS)

1988-09-01

Boiling water reactors (BWRs) have experienced stress corrosion cracking in the reactor cooling system piping resulting in adverse impacts on plant availability and personnel radiation exposure. The BWR Owners Group and EPRI have sponsored a major research and development program to provide remedies for this stress corrosion cracking problem. This work shows that the likelihood of cracking depends on the plant's water chemistry performance (environment) as well as on material condition and stress level. Plant experience and other research demonstrate that water quality also affects fuel performance and radiation field buildup in BWRs. This report,''BWR Normal Water Chemistry Guidelines: 1986 Revision,'' presents suggested generic water chemistry specifications, justifies the proposed water chemistry limits, suggests responses to out-of-specification water chemistry, discusses available chemical analysis methods as well as data management and surveillance schemes, and details the management philosophy required to successfully implement a water chemistry control program. An appendix contains recommendations for water quality of auxiliary systems. 73 refs., 20 figs., 9 tabs

Advances in BWR water chemistry

International Nuclear Information System (INIS)

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

2012-09-01

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

Physical chemistry and the environment

International Nuclear Information System (INIS)

Dunning, T.H. Jr.; Garrett, B.C.; Kolb, C.E. Jr.; Shaw, R.W.; Choppin, G.R.; Wagner, A.F.

1994-08-01

From the ozone hole and the greenhouse effect to plastics recycling and hazardous waste disposal, society faces a number of issues, the solutions to which require an unprecedented understanding of the properties of molecules. We are coming to realize that the environment is a coupled set of chemical systems, its dynamics determining the welfare of the biosphere and of humans in particular. These chemical systems are governed by fundamental molecular interactions, and they present chemists with an unparalleled challenge. The application of current concepts of molecular behavior and of up-to-date experimental and computational techniques can provide us with insights into the environment that are needed to mitigate past damage, to anticipate the impact of current human activity, and to avoid future insults to the environment. Environmental chemistry encompasses a number of separate, yet interlocking, areas of research. In all of these areas progress is limited by an inadequate understanding of the underlying chemical processes involved. Participation of all chemical approaches -- experimental, theoretical and computational -- and of all disciplines of chemistry -- organic, inorganic, physical, analytical and biochemistry -- will be required to provide the necessary fundamental understanding. The Symposium on ''Physical Chemistry and the Environment'' was designed to bring the many exciting and challenging physical chemistry problems involved in environmental chemistry to the attention of a larger segment of the physical chemistry community

Third Chemistry Conference on Recent Trends in Chemistry

International Nuclear Information System (INIS)

Saeed, M.M.; Wheed, S.

2011-01-01

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

PWR secondary water chemistry study

International Nuclear Information System (INIS)

Pearl, W.L.; Sawochka, S.G.

1977-02-01

Several types of corrosion damage are currently chronic problems in PWR recirculating steam generators. One probable cause of damage is a local high concentration of an aggressive chemical even though only trace levels are present in feedwater. A wide variety of trace chemicals can find their way into feedwater, depending on the sources of condenser cooling water and the specific feedwater treatment. In February 1975, Nuclear Water and Waste Technology Corporation (NWT), was contracted to characterize secondary system water chemistry at five operating PWRs. Plants were selected to allow effects of cooling water chemistry and operating history on steam generator corrosion to be evaluated. Calvert Cliffs 1, Prairie Island 1 and 2, Surry 2, and Turkey Point 4 were monitored during the program. Results to date in the following areas are summarized: (1) plant chemistry variations during normal operation, transients, and shutdowns; (2) effects of condenser leakage on steam generator chemistry; (3) corrosion product transport during all phases of operation; (4) analytical prediction of chemistry in local areas from bulk water chemistry measurements; and (5) correlation of corrosion damage to chemistry variation

The chemistry and isotopic composition of waters in the low-enthalpy geothermal system of Cimino-Vico Volcanic District, Italy

DEFF Research Database (Denmark)

Battistel, Maria; Hurwitz, Shaul; Evans, William C.

2016-01-01

Geothermal energy exploration is based in part on interpretation of the chemistry, temperature, and discharge rate of thermal springs. Here we present the major element chemistry and the δD, δ18O, 87Sr/86Sr and δ11B isotopic ratio of groundwater from the low-enthalpy geothermal system near the city...... and tortuous ascent enhances extraction of boron but also promotes conductive cooling, partially masking the heat present in the reservoir. Overall data from this study is consistent with previous studies that concluded that the geothermal system has a large energy potential....... of Viterbo in the Cimino-Vico volcanic district of west-Central Italy. The geothermal system hosts many thermal springs and gas vents, but the resource is still unexploited. Water chemistry is controlled by mixing between low salinity,HCO3-rich fresh waters (

Making Sense of Olive Oil: Simple Experiments to Connect Sensory Observations with the Underlying Chemistry

Science.gov (United States)

Blatchly, Richard A.; Delen, Zeynep; O'Hara, Patricia B.

2014-01-01

In the last decade, our understanding of the chemistry of olive oil has dramatically improved. Here, the essential chemistry of olive oil and its important minor constituents is described and related to the typical sensory categories used to rate and experience oils: color, aroma, bitterness, and pungency. We also describe experiments to explore…

Primary Water Chemistry Control during a Planned Outage at Bruce Power

International Nuclear Information System (INIS)

Ma, Guoping; Nashiem, Rod; Matheson, Shane; Yabar, Berman; Harper, Bill; Roberts, John G.

2012-09-01

Bruce Power has developed a comprehensive outage water chemistry program, which includes both primary and secondary chemistry requirements during planned outages. The purpose of the program is to emphasize the chemistry requirements during outages and subsequent start-ups in order to maintain the integrity of the systems, minimise activity transport and radiation fields, reduce the Carbon-14 release, and to ensure that the requirements are integrated with the outage management program. Prior to a planned outage, Station Chemical Technical Sections identify outage chemistry requirements to Operations and Outage Planning and ensure that work necessary to correct system chemistry issues is within outage work scope. The outage water chemistry program provides direction for establishing alternative sampling locations as demanded by the system configuration during the outage and identifies outage prerequisites for nuclear system purification capabilities. These requirements are contained in an outage checklist. The paper mainly highlights the primary water chemistry issues and chemistry control strategies during planned outages and discusses challenges and successes. (authors)

Radiation chemistry

International Nuclear Information System (INIS)

Rodgers, F.; Rodgers, M.A.

1987-01-01

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

A comparison of atmospheric composition using the Carbon Bond and Regional Atmospheric Chemistry MechanismsChemistry Mechanisms

Science.gov (United States)

We incorporate the recently developed Regional Atmospheric Chemistry Mechanism (version 2, RACM2) into the Community Multiscale Air Quality modeling system for comparison with the existing 2005 Carbon Bond mechanism with updated toluene chemistry (CB05TU). Compared to CB05TU, RAC...

The radiation chemistry of macromolecules

CERN Document Server

1973-01-01

The Radiation Chemistry of Macromolecules, Volume II is a collection of papers that discusses radiation chemistry of specific systems. Part 1 deals with radiation chemistry of substituted vinyl polymers, particularly polypropylene (PP) as its structure is intermediate between polyethylene and polyisobutylene. This part also discusses polypropylene oxide (PPOx) for it can be prepared in the atactic, isotactic, and optically active forms. One paper focuses on the fundamental chemical processes and the changes in physical properties that give rise to many different applications of polystyrene. An

Molecular materials and devices: developing new functional systems based on the coordination chemistry approach

Directory of Open Access Journals (Sweden)

Toma Henrique E.

2003-01-01

Full Text Available At the onset of the nanotechnology age, molecular designing of materials and single molecule studies are opening wide possibilities of using molecular systems in electronic and photonic devices, as well as in technological applications based on molecular switching or molecular recognition. In this sense, inorganic chemists are privileged by the possibility of using the basic strategies of coordination chemistry to build up functional supramolecular materials, conveying the remarkable chemical properties of the metal centers and the characteristics of the ancillary ligands. Coordination chemistry also provides effective self-assembly strategies based on specific metal-ligand affinity and stereochemistry. Several molecular based materials, derived from inorganic and metal-organic compounds are focused on this article, with emphasis on new supramolecular porphyrins and porphyrazines, metal-clusters and metal-polyimine complexes. Such systems are also discussed in terms of their applications in catalysis, sensors and molecular devices.

Introductory quantum chemistry

International Nuclear Information System (INIS)

Chandra, A.K.

1974-01-01

This book on quantum chemistry is primarily intended for university students at the senior undergraduate level. It serves as an aid to the basic understanding of the important concepts of quantum mechanics introduced in the field of chemistry. Various chapters of the book are devoted to the following : (i) Waves and quanta, (ii) Operator concept in quantum chemistry, (iii) Wave mechanics of some simple systems, (iv) Perturbation theory, (v) Many-electron atoms and angular momenta (vi) Molecular orbital theory and its application to the electronic structure of diatomic molecules, (vii) Chemical bonding in polyatomic molecules and (viii) Chemical applications of Hellmann-Feynman theorem. At the end of each chapter, a set of problems is given and the answers to these problems are given at the end of the book. (A.K.)

Combinatorial chemistry on solid support in the search for central nervous system agents.

Science.gov (United States)

Zajdel, Paweł; Pawłowski, Maciej; Martinez, Jean; Subra, Gilles

2009-08-01

The advent of combinatorial chemistry was one of the most important developments, that has significantly contributed to the drug discovery process. Within just a few years, its initial concept aimed at production of libraries containing huge number of compounds (thousands to millions), so called screening libraries, has shifted towards preparation of small and medium-sized rationally designed libraries. When applicable, the use of solid supports for the generation of libraries has been a real breakthrough in enhancing productivity. With a limited amount of resin and simple manual workups, the split/mix procedure may generate thousands of bead-tethered compounds. Beads can be chemically or physically encoded to facilitate the identification of a hit after the biological assay. Compartmentalization of solid supports using small reactors like teabags, kans or pellicular discrete supports like Lanterns resulted in powerful sort and combine technologies, relying on codes 'written' on the reactor, and thus reducing the need for automation and improving the number of compounds synthesized. These methods of solid-phase combinatorial chemistry have been recently supported by introduction of solid-supported reagents and scavenger resins. The first part of this review discusses the general premises of combinatorial chemistry and some methods used in the design of primary and focused combinatorial libraries. The aim of the second part is to present combinatorial chemistry methodologies aimed at discovering bioactive compounds acting on diverse GPCR involved in central nervous system disorders.

Meaningful Understanding and Systems Thinking in Organic Chemistry: Validating Measurement and Exploring Relationships

Science.gov (United States)

Vachliotis, Theodoros; Salta, Katerina; Tzougraki, Chryssa

2014-01-01

The purpose of this study was dual: First, to develop and validate assessment schemes for assessing 11th grade students' meaningful understanding of organic chemistry concepts, as well as their systems thinking skills in the domain. Second, to explore the relationship between the two constructs of interest based on students' performance…

Chemistry of supramolecular systems containing porphyrins and metal complexes

OpenAIRE

Araki, Koiti; Toma, Henrique Eisi

2002-01-01

Supramolecular chemistry is expected to keep a high developing pace in the next years, giving support to the advancement of molecular devices and nanotechnology. In this sense, porphyrins and their analogues should play a significant role as a consequence of their catalytic, electrocatalytic, photochemical and photoelectrochemical properties. In this review we focused on our own strategy based on coordination chemistry for the design and build-up of supermolecules and supramolecular structure...

Industrial ecology: Environmental chemistry and hazardous waste

Energy Technology Data Exchange (ETDEWEB)

Manahan, S.E. [Univ. of Missouri, Columbia, MO (United States). Dept. of Chemistry

1999-01-01

Industrial ecology may be a relatively new concept -- yet it`s already proven instrumental for solving a wide variety of problems involving pollution and hazardous waste, especially where available material resources have been limited. By treating industrial systems in a manner that parallels ecological systems in nature, industrial ecology provides a substantial addition to the technologies of environmental chemistry. Stanley E. Manahan, bestselling author of many environmental chemistry books for Lewis Publishers, now examines Industrial Ecology: Environmental Chemistry and Hazardous Waste. His study of this innovative technology uses an overall framework of industrial ecology to cover hazardous wastes from an environmental chemistry perspective. Chapters one to seven focus on how industrial ecology relates to environmental science and technology, with consideration of the anthrosphere as one of five major environmental spheres. Subsequent chapters deal specifically with hazardous substances and hazardous waste, as they relate to industrial ecology and environmental chemistry.

Role of the H bond network in the radiation chemistry of hydrated systems

International Nuclear Information System (INIS)

Pommeret, S.; Renault, J.P.; Le Caer, S.; Vigneron, G.; Palmer, J.; Lima, M.; Righini, R.

2006-01-01

Introduction: In the present contribution, we want to address the influence of the H bond network on the observed reactivity of hydrated system. In radiation chemistry the primary species appear extremely simple and at the same time are very reactive. The comprehension of their dynamics is rather difficult since their reactivity involves the solvent molecules as reactant. Some of those species like the hydrated electron and the proton are highly hydrophilic, while others like the hydroxide radical and the H atom are rather hydrophobic. Both the hydrated electron and the H atom locate near a defect of the H bond network i.e. a cavity. As an example of the role of the environment in radical chemistry, when studying the radiation chemistry of porous media we noticed that the interface play a crucial role in the outcome of that chemistry. More particularly we observed that the silanol band of the silica/water interface was strongly affected by the irradiation even so no energy is directly absorbed by an interface. In this contribution, we will first review the recent work on the H bond dynamics, in absence of any reactant. We will then present recent results on the radiation chemistry of nanoporous media and its influence on the H bond network of an interface and will also present recent results obtained on the H bond dynamics at an alumina-water interface. All those results will be discussed in light of the H bonded nature of neat water. Radiation chemistry of an H bonded interface: A Fourier transformed infrared detection associated to an electron accelerator was developed so as to characterise in situ the effects of irradiation on various systems. The FT-IR spectrometer and the detector were moved out of the accelerator room to be protected against radiation. The infrared beam was guided on a distance of 6 meters by optical conduits and mirrors. The spectra were obtained from 100 scans accumulated with a Bruker Vertex 70 equipment operating with a 4 cm -1 resolution

Environmentally dependent dust chemistry of a super Asian dust storm in March 2010: observation and simulation

Directory of Open Access Journals (Sweden)

Q. Wang

2018-03-01

Full Text Available Near-surface and vertical in situ measurements of atmospheric particles were conducted in Shanghai during 19–23 March 2010 to explore the transport and chemical evolution of dust particles in a super dust storm. An air quality model with optimized physical dust emission scheme and newly implemented dust chemistry was utilized to study the impact of dust chemistry on regional air quality. Two discontinuous dust periods were observed with one traveling over northern China (DS1 and the other passing over the coastal regions of eastern China (DS2. Stronger mixing extents between dust and anthropogenic emissions were found in DS2, reflected by the higher SO2 ∕ PM10 and NO2 ∕ PM10 ratios as well as typical pollution elemental species such as As, Cd, Pb, and Zn. As a result, the concentrations of SO42− and NO3− and the ratio of Ca2+ ∕ Ca were more elevated in DS2 than in DS1 but opposite for the [NH4+] ∕ [SO42−+NO3−] ratio, suggesting the heterogeneous reactions between calcites and acid gases were significantly promoted in DS2 due to the higher level of relative humidity and gaseous pollution precursors. Lidar observation showed a columnar effect on the vertical structure of particle optical properties in DS1 that dust dominantly accounted for ∼ 80–90 % of the total particle extinction from near the ground to ∼ 700 m. In contrast, the dust plumes in DS2 were restrained within lower altitudes while the extinction from spherical particles exhibited a maximum at a high altitude of ∼ 800 m. The model simulation reproduced relatively consistent results with observations that strong impacts of dust heterogeneous reactions on secondary aerosol formation occurred in areas where the anthropogenic emissions were intensive. Compared to the sulfate simulation, the nitrate formation on dust is suggested to be improved in the future modeling efforts.

Environmentally dependent dust chemistry of a super Asian dust storm in March 2010: observation and simulation

Science.gov (United States)

Wang, Qiongzhen; Dong, Xinyi; Fu, Joshua S.; Xu, Jian; Deng, Congrui; Jiang, Yilun; Fu, Qingyan; Lin, Yanfen; Huang, Kan; Zhuang, Guoshun

2018-03-01

Near-surface and vertical in situ measurements of atmospheric particles were conducted in Shanghai during 19-23 March 2010 to explore the transport and chemical evolution of dust particles in a super dust storm. An air quality model with optimized physical dust emission scheme and newly implemented dust chemistry was utilized to study the impact of dust chemistry on regional air quality. Two discontinuous dust periods were observed with one traveling over northern China (DS1) and the other passing over the coastal regions of eastern China (DS2). Stronger mixing extents between dust and anthropogenic emissions were found in DS2, reflected by the higher SO2 / PM10 and NO2 / PM10 ratios as well as typical pollution elemental species such as As, Cd, Pb, and Zn. As a result, the concentrations of SO42- and NO3- and the ratio of Ca2+ / Ca were more elevated in DS2 than in DS1 but opposite for the [NH4+] / [SO42-+NO3-] ratio, suggesting the heterogeneous reactions between calcites and acid gases were significantly promoted in DS2 due to the higher level of relative humidity and gaseous pollution precursors. Lidar observation showed a columnar effect on the vertical structure of particle optical properties in DS1 that dust dominantly accounted for ˜ 80-90 % of the total particle extinction from near the ground to ˜ 700 m. In contrast, the dust plumes in DS2 were restrained within lower altitudes while the extinction from spherical particles exhibited a maximum at a high altitude of ˜ 800 m. The model simulation reproduced relatively consistent results with observations that strong impacts of dust heterogeneous reactions on secondary aerosol formation occurred in areas where the anthropogenic emissions were intensive. Compared to the sulfate simulation, the nitrate formation on dust is suggested to be improved in the future modeling efforts.

Affordances of Instrumentation in General Chemistry Laboratories

Science.gov (United States)

Sherman, Kristin Mary Daniels

2010-01-01

The purpose of this study is to find out what students in the first chemistry course at the undergraduate level (general chemistry for science majors) know about the affordances of instrumentation used in the general chemistry laboratory and how their knowledge develops over time. Overall, students see the PASCO(TM) system as a useful and accurate…

Heterogeneous catalytic materials solid state chemistry, surface chemistry and catalytic behaviour

CERN Document Server

Busca, Guido

2014-01-01

Heterogeneous Catalytic Materials discusses experimental methods and the latest developments in three areas of research: heterogeneous catalysis; surface chemistry; and the chemistry of catalysts. Catalytic materials are those solids that allow the chemical reaction to occur efficiently and cost-effectively. This book provides you with all necessary information to synthesize, characterize, and relate the properties of a catalyst to its behavior, enabling you to select the appropriate catalyst for the process and reactor system. Oxides (used both as catalysts and as supports for cata

Investigations of nitrogen oxide plasmas: Fundamental chemistry and surface reactivity and monitoring student perceptions in a general chemistry recitation

Science.gov (United States)

Blechle, Joshua M.

Part I of this dissertation focuses on investigations of nitrogen oxide plasma systems. With increasing concerns over the environmental presence of NxOy species, there is growing interest in utilizing plasma-assisted conversion techniques. Advances, however, have been limited because of the lack of knowledge regarding the fundamental chemistry of these plasma systems. Understanding the kinetics and thermodynamics of processes in these systems is vital to realizing their potential in a range of applications. Unraveling the complex chemical nature of these systems, however, presents numerous challenges. As such, this work serves as a foundational step in the diagnostics and assessment of these NxOy plasmas. The partitioning of energy within the plasma system is essential to unraveling these complications as it provides insight into both gas and surface reactivity. To obtain this information, techniques such as optical emission spectroscopy (OES), broadband absorption spectroscopy (BAS), and laser induced fluorescence (LIF) were utilized to determine species energetics (vibrational, rotational, translational temperatures). These temperature data provide mechanistic insight and establish the relationships between system parameters and energetic outcomes. Additionally, these data are also correlated to surface reactivity data collected with the Imaging of Radicals Interacting with Surfaces (IRIS) technique. IRIS data demonstrate the relationship between internal temperatures of radicals and their observed surface scatter coefficients (S), the latter of which is directly related to surface reactivity (R) [R = 1-S]. Furthermore, time-resolved (TR) spectroscopic techniques, specifically TR-OES, revealed kinetic trends in NO and N2 formation from a range of precursors (NO, N2O, N2/O2). By examining the rate constants associated with the generation and destruction of various plasma species we can investigate possible mechanistic implications. All told, such data provides

Amine chemistry. Update on impact on resin

International Nuclear Information System (INIS)

Bachman, Gregory; Kellogg, Douglas; Wilkes, Marty

2012-01-01

Impurity removal in the steam cycle and the associated prevention of corrosion and/or fouling of system components are the goals of ion exchange resins. However, in many instances (such as a switch to amine chemistry or a change in product specifications), resins do not remove, and, in fact, contribute impurities to the steam cycle. This paper reviews recent data compiled to determine the direct and indirect effects of amines on ion exchange resins used in the power industry. Water chemistries have improved in recent years, in large part due to changes in chemistry and resins, but it is necessary to continue to develop products, processes and techniques to reduce impurities and improve overall water chemistry in power plant systems. (orig.)

Amine chemistry. Update on impact on resin

Energy Technology Data Exchange (ETDEWEB)

Bachman, Gregory; Kellogg, Douglas [Siemens Industry, Inc., Rockford, IL (United States). Technology and Lab Services; Wilkes, Marty [Siemens Industry, Inc., Rockford, IL (United States). Water Technologies Div.

2012-03-15

Impurity removal in the steam cycle and the associated prevention of corrosion and/or fouling of system components are the goals of ion exchange resins. However, in many instances (such as a switch to amine chemistry or a change in product specifications), resins do not remove, and, in fact, contribute impurities to the steam cycle. This paper reviews recent data compiled to determine the direct and indirect effects of amines on ion exchange resins used in the power industry. Water chemistries have improved in recent years, in large part due to changes in chemistry and resins, but it is necessary to continue to develop products, processes and techniques to reduce impurities and improve overall water chemistry in power plant systems. (orig.)

Interstellar chemistry.

Science.gov (United States)

Klemperer, William

2006-08-15

In the past half century, radioastronomy has changed our perception and understanding of the universe. In this issue of PNAS, the molecular chemistry directly observed within the galaxy is discussed. For the most part, the description of the molecular transformations requires specific kinetic schemes rather than chemical thermodynamics. Ionization of the very abundant molecular hydrogen and atomic helium followed by their secondary reactions is discussed. The rich variety of organic species observed is a challenge for complete understanding. The role and nature of reactions involving grain surfaces as well as new spectroscopic observations of interstellar and circumstellar regions are topics presented in this special feature.

Areva's water chemistry guidebook with chemistry guidelines for next generation plants (AREVA EPRTM reactors)

International Nuclear Information System (INIS)

Ryckelynck, N.; Chahma, F.; Caris, N.; Guillermier, P.; Brun, C.; Caron-Charles, M.; Lamanna, L.; Fandrich, J.; Jaeggy, M.; Stellwag, B.

2012-09-01

Over the years, AREVA globally has maintained a strong expertise in LWR water chemistry and has been focused on minimizing short-term and long-term detrimental effects of chemistry for startup, operation and shutdown chemistry for all key plant components (material integrity and reliability, promote optimal thermal performances, etc.) and fuel. Also AREVA is focused on minimizing contamination and equipment/plant dose rates. Current Industry Guidelines (EPRI, VGB, etc.) provide utilities with selected chemistry guidance for the current operating fleet. With the next generation of PWR plants (e.g. AREVA's EPR TM reactor), materials of construction and design have been optimized based on industry lessons learned over the last 50+ years. To support the next generation design, AREVA water chemistry experts, have subsequently developed a Chemistry Guidebook with chemistry guidelines based on an analysis of the current international practices, plant operating experience, R and D data and calculation codes now available and/or developed by AREVA. The AREVA LWR chemistry Guidebook can be used to help resolve utility and safety authority questions and addresses regulation requirement questions/issues for next generation plants. The Chemistry Guidebook provides water chemistry guidelines for primary coolant, secondary side circuit and auxiliary systems during startup, normal operation and shutdown conditions. It also includes conditioning and impurity limits, along with monitoring locations and frequency requirements. The Chemistry Guidebook Guidelines will be used as a design reference for AREVA's next generation plants (e.g. EPR TM reactor). (authors)

Monitoring active species in an atmospheric pressure dielectric-barrier discharge: Observation of the Herman-infrared system

Czech Academy of Sciences Publication Activity Database

Annušová, A.; Čermák, P.; Rakovský, Jozef; Martišovitš, V.; Veis, P.

2017-01-01

Roč. 57, č. 2 (2017), s. 67-75 ISSN 0863-1042 Institutional support: RVO:61388955 Keywords : dielectric-barrier discharge * Herman-infrared system * nitrogen Subject RIV: CF - Physical ; Theoretical Chemistry OBOR OECD: Physical chemistry Impact factor: 1.440, year: 2016

Complex chemistry

International Nuclear Information System (INIS)

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

2006-06-01

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

Survey of Water Chemistry and Corrosion of NPP

Energy Technology Data Exchange (ETDEWEB)

Jung, Ki Sok; Hong, Bong Geon

2008-06-15

Status of water chemistry of nuclear power plant and materials corrosion has been surveyed. For PWR, system chemistry of primary coolant and secondary coolant as well as the related corrosion of materials was surveyed. For BWR, system chemistry as whole has been surveyed with its accompanying corrosion problems. Radiolysis of coolant water and activation of corrosion products also was surveyed. Future NPP such as supercritical water cooled reactor and fusion reactor has also been surveyed for their water chemistry and corrosion problems. As a result, proposal for some research items has been suggested. Some related corrosion research techniques and electrochemical fundamentals are also presented.

Survey of Water Chemistry and Corrosion of NPP

International Nuclear Information System (INIS)

Jung, Ki Sok; Hong, Bong Geon

2008-06-01

Status of water chemistry of nuclear power plant and materials corrosion has been surveyed. For PWR, system chemistry of primary coolant and secondary coolant as well as the related corrosion of materials was surveyed. For BWR, system chemistry as whole has been surveyed with its accompanying corrosion problems. Radiolysis of coolant water and activation of corrosion products also was surveyed. Future NPP such as supercritical water cooled reactor and fusion reactor has also been surveyed for their water chemistry and corrosion problems. As a result, proposal for some research items has been suggested. Some related corrosion research techniques and electrochemical fundamentals are also presented

Observing farming systems

DEFF Research Database (Denmark)

Noe, Egon; Alrøe, Hugo Fjelsted

2012-01-01

of analysis from individual farmers to communication and social relations. This is where Luhmann’s social systems theory can offer new insights. Firstly, it can help observe and understand the operational closure and system logic of a farming system and how this closure is produced and reproduced. Secondly...

Contribution from philosophy of chemistry to chemistry education: In a case of ionic liquids as technochemistry

Science.gov (United States)

Mudzakir, Ahmad; Hernani, Widhiyanti, Tuszie; Sudrajat, Devi Pratiwi

2017-08-01

Traditional chemistry education is commonly handing down of concepts, principles, and theories, such as mechanical properties, the relationship between structure and properties as well as chemical structure and chemical bonding theory, to students without engaging them in the processes of chemical inquiry. This practice leads to the lack of opportunity for the students to construct an appropriate understanding of these concepts, principles, and theories. Students are also rarely facilitated in modeling the structure and function of matter themselves. This situation shows that the philosophy of chemistry has not received as much attention from chemistry educators. The main idea of this paper is to embed philosophy of chemistry through the implementation of technochemistry in chemistry education. One of the most interesting and rapidly developing areas of modern chemistry, technologies and engineering is Ionic Liquids (ILs) as an emerging knowledge on technochemistry which can be applied to chemistry education. The developments between academic researchers and industrial developments in the ILs area are conducted in parallel. In order to overcome the existing problems of scientific development in chemistry education, the science and technology of ILs can be used for reconceptualizing the teaching and learning of chemistry to embrace the epistemology in chemistry. This study promises a potential contribution by philosophy of chemistry. The main objectives of this study are to develop: (i) a perspective based on philosophy of science considerations (rational reconstruction) in order to understand ionic liquids and (ii) teaching materials that can be used to enhance pre-service teacher's view of nature of science and technology (VNOST). The method used in the study is analytical-descriptive (elementarization), i.e. the first step in the model of educational reconstruction (MER). This study concludes that the development of the concepts and their applications of ionic

Character education in perspective of chemistry pre-service teacher

Science.gov (United States)

Merdekawati, Krisna

2017-12-01

As one of the pre-service teacher education programs, Chemistry Education Department Islamic University of Indonesia (UII) is committed to providing quality education. It is an education that can produce competent and characteristic chemistry pre-service teacher. The focus of research is to describe the perception of students as a potential teacher of chemistry on character education and achievement of character education. The research instruments include questionnaires and observation sheets. Research data show that students have understood the importance of character education and committed to organizing character education later in schools. Students have understood the ways in which character education can be used. The students stated that Chemistry Education Department has tried to equip students with character education. The observation result shows that students generally have character as a pre-service teacher.

Molten fluoride fuel salt chemistry

International Nuclear Information System (INIS)

Toth, L.M.; Del Cul, G.D.; Dai, S.; Metcalf, D.H.

1995-01-01

The chemistry of molten fluorides is traced from their development as fuels in the Molten Salt Reactor Experiment with important factors in their selection being discussed. Key chemical characteristics such as solubility, redox behavior, and chemical activity are explained as they relate to the behavior of molten fluoride fuel systems. Development requirements for fitting the current state of the chemistry to modern nuclear fuel system are described. It is concluded that while much is known about molten fluoride behavior which can be used effectively to reduce the amount of development required for future systems, some significant molten salt chemical questions must still be addressed. copyright American Institute of Physics 1995

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

Science.gov (United States)

Krishnamurthy, Ramanarayanan

2018-06-05

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

ICE CHEMISTRY IN STARLESS MOLECULAR CORES

Energy Technology Data Exchange (ETDEWEB)

Kalvans, J., E-mail: juris.kalvans@venta.lv [Engineering Research Institute “Ventspils International Radio Astronomy Center” of Ventspils University College, Inzenieru 101, Ventspils, LV-3601 (Latvia)

2015-06-20

Starless molecular cores are natural laboratories for interstellar molecular chemistry research. The chemistry of ices in such objects was investigated with a three-phase (gas, surface, and mantle) model. We considered the center part of five starless cores, with their physical conditions derived from observations. The ice chemistry of oxygen, nitrogen, sulfur, and complex organic molecules (COMs) was analyzed. We found that an ice-depth dimension, measured, e.g., in monolayers, is essential for modeling of chemistry in interstellar ices. Particularly, the H{sub 2}O:CO:CO{sub 2}:N{sub 2}:NH{sub 3} ice abundance ratio regulates the production and destruction of minor species. It is suggested that photodesorption during the core-collapse period is responsible for the high abundance of interstellar H{sub 2}O{sub 2} and O{sub 2}H and other species synthesized on the surface. The calculated abundances of COMs in ice were compared to observed gas-phase values. Smaller activation barriers for CO and H{sub 2}CO hydrogenation may help explain the production of a number of COMs. The observed abundance of methyl formate HCOOCH{sub 3} could be reproduced with a 1 kyr, 20 K temperature spike. Possible desorption mechanisms, relevant for COMs, are gas turbulence (ice exposure to interstellar photons) or a weak shock within the cloud core (grain collisions). To reproduce the observed COM abundances with the present 0D model, 1%–10% of ice mass needs to be sublimated. We estimate that the lifetime for starless cores likely does not exceed 1 Myr. Taurus cores are likely to be younger than their counterparts in most other clouds.

Direct Atomic Scale Observation of the Structure and Chemistry of Order/Disorder Interfaces

National Research Council Canada - National Science Library

Srinivasan, R; Banerjee, R; Hwang, J. Y; Viswanathan, G. B; Tiley, J; Fraser, H. L

2008-01-01

... distributed ordered intermetallic precipitates within a disordered matrix. The structure and chemistry at the precipitate/matrix interface plays a critical role in determining the effectiveness of the strengthening mechanism...

BWR and PWR chemistry operating experience and perspectives

International Nuclear Information System (INIS)

Fruzzetti, K.; Garcia, S.; Lynch, N.; Reid, R.

2014-01-01

It is well recognized that proper control of water chemistry plays a critical role in ensuring the safe and reliable operation of Boiling Water Reactors (BWRs) and Pressurized Water Reactors (PWRs). State-of-the-art water chemistry programs reduce general and localized corrosion of reactor coolant system, steam cycle equipment, and fuel cladding materials; ensure continued integrity of cycle components; and reduce radiation fields. Once a particular nuclear plant component has been installed or plant system constructed, proper water chemistry provides a global tool to mitigate materials degradation problems, thereby reducing the need for costly repairs or replacements. Recognizing the importance of proper chemistry control and the value in understanding the relationship between chemistry guidance and actual operating experience, EPRI continues to collect, monitor, and evaluate operating data from BWRs and PWRs around the world. More than 900 cycles of valuable BWR and PWR operating chemistry data has been collected, including online, startup and shutdown chemistry data over more than 10 years (> 20 years for BWRs). This paper will provide an overview of current trends in BWR and PWR chemistry, focusing on plants in the U.S.. Important chemistry parameters will be highlighted and discussed in the context of the EPRI Water Chemistry Guidelines requirements (i.e., those parameters considered to be of key importance as related to the major goals identified in the EPRI Guidelines: materials integrity; fuel integrity; and minimizing plant radiation fields). Perspectives will be provided in light of recent industry initiatives and changes in the EPRI BWR and PWR Water Chemistry Guidelines. (author)

Teacher Assessment of Practical Skills in A-Level Chemistry

Science.gov (United States)

Wood, R.; Ferguson, Carolyn M.

1975-01-01

Discusses a two-year assessment undertaken to evaluate the Nuffield A-Level chemistry course. Secondary teachers selected chemistry experiments for assessment purposes and assessed their students in manipulative skills, observational skills, interpretation skills, creative skills, and attitudes. (MLH)

Ammonia chemistry at SMART

International Nuclear Information System (INIS)

Na, J. W.; Seong, G. W.; Lee, E. H.; Kim, W. C.; Choi, B. S.; Kim, J. P.; Lee, D. J.

1999-01-01

Ammonia is used as the pH control agent of primary water at SMART (System-integrated Modular Advanced ReacTor). Some of this ammonia is decomposed to hydrogen and nitrogen by radiation in the reactor core. The produced hydrogen gas is used for the removal of dissolved oxygen in the coolant. Some of nitrogen gas in pressurizer is dissolved into the primary water. Because ammonia, hydrogen and nitrogen which is produced by ammonia radiolysis are exist in the coolant at SMART, ammonia chemistry at SMART is different with lithium-boron chemistry at commercial PWR. In this study, the pH characteristics of ammonia and the solubility characteristics of hydrogen and nytrogen were analyzed for the management of primary water chemistry at SMART

12. 'Tihany' symposium on radiation chemistry. Program and abstracts

Energy Technology Data Exchange (ETDEWEB)

NONE

2011-07-01

The 12th 'Tihany' symposium on radiation chemistry was held in Zalakaros in the organization of the Hungarian Academy of Sciences, Institute of Isotope and Surface Chemistry. The scientific program of the Symposium will cover all the major disciplines of both basic and applied radiation chemistry. The topics were the fundamental processes in radiation chemistry, the different irradiations ways, radiolysis of inorganic and organic systems, nanoscale and the macromolecular systems. Also could be seen presentations in the subject of the food irradiation, the environmental protection, biomedical materials radiation, about the resistant materials, the radiation sterilization and the dosimetry. (S.I.)

12. 'Tihany' symposium on radiation chemistry. Program and abstracts

International Nuclear Information System (INIS)

2011-01-01

The 12th 'Tihany' symposium on radiation chemistry was held in Zalakaros in the organization of the Hungarian Academy of Sciences, Institute of Isotope and Surface Chemistry. The scientific program of the Symposium will cover all the major disciplines of both basic and applied radiation chemistry. The topics were the fundamental processes in radiation chemistry, the different irradiations ways, radiolysis of inorganic and organic systems, nanoscale and the macromolecular systems. Also could be seen presentations in the subject of the food irradiation, the environmental protection, biomedical materials radiation, about the resistant materials, the radiation sterilization and the dosimetry. (S.I.)

How does Interactive Chemistry Influence the Representation of Stratosphere-Troposphere Coupling in a Climate Model?

Science.gov (United States)

Haase, S.; Matthes, K. B.

2017-12-01

Changes in stratospheric ozone can trigger tropospheric circulation changes. In the Southern hemisphere (SH), the observed shift of the Southern Annular Mode was attributed to the observed trend in lower stratospheric ozone. In the Northern Hemisphere (NH), a recent study showed that extremely low stratospheric ozone conditions during spring produce robust anomalies in the troposphere (zonal wind, temperature and precipitation). This could only be reproduced in a coupled chemistry climate model indicating that chemical-dynamical feedbacks are also important on the NH. To further investigate the importance of interactive chemistry for surface climate, we conducted a set of experiments using NCAR's Community Earth System Model (CESM1) with the Whole Atmosphere Community Climate Model (WACCM) as the atmosphere component. WACCM contains a fully interactive stratospheric chemistry module in its standard configuration. It also allows for an alternative configuration, referred to as SC-WACCM, in which the chemistry (O3, NO, O, O2, CO2 and chemical and shortwave heating rates) is specified as a 2D field in the radiation code. A comparison of the interactive vs. the specified chemistry version enables us to evaluate the relative importance of interactive chemistry by systematically inhibiting the feedbacks between chemistry and dynamics. To diminish the effect of temporal interpolation when prescribing ozone, we use daily resolved zonal mean ozone fields for the specified chemistry run. Here, we investigate the differences in stratosphere-troposphere coupling between the interactive and specified chemistry simulations for the mainly chemically driven SH as well as for the mainly dynamically driven NH. We will especially consider years that are characterized by extremely low stratospheric ozone on the one hand and by large dynamical disturbances, i.e. Sudden Stratospheric Warmings, on the other hand.

Water chemistry experiences with VVERs at Kudankulam

International Nuclear Information System (INIS)

Rout, D.; Upadhyaya, T.C.; Ravindranath; Selvinayagam, P.; Sundar, R.S.

2015-01-01

Kudankulam Nuclear Power Project - 1 and 2 (Kudankulam NPP - 1 and 2) are pressurised water cooled VVERs of 1000 MWe each. Kudankulam NPP Unit - 1 is presently on its first cycle of operation and Kudankulam NPP Unit - 2 is on the advanced stage of commissioning with the successful completion of hot run related Functional tests. Water Chemistry aspects during various phases of commissioning of Kudankulam NPP Unit - 1 such as Hot Run, Boric acid flushing, initial fuel Loading (IFL), First approach to Criticality (FAC) are discussed. The main objectives of the use of controlled primary water chemistry programme during the hot functional tests are reviewed. The importance of the relevant water chemistry parameters were ensured to have the quality of the passive layer formed on the primary coolant system surfaces. The operational experiences during the 1 st cycle of operation of primary water chemistry, radioactivity transport and build-up are presented. The operational experience of some VVER units in the field of the primary water chemistry, radioactivity transport and build-up are presented as a comparison to VVER at Kudankulam NPP. The effects of the initial passivated layer formed on metal surfaces during hot run, activated corrosion products levels in the primary coolant under controlled water chemistry regime and the contamination/radiation situation are discussed. This report also includes the water chemistry related issues of secondary water systems. (author)

Cloud chemistry in eastern China: Observations from Mt. Tai

Science.gov (United States)

Collett, J. L.; Shen, X.; Lee, T.; Wang, X.; Li, Y.; Wang, W.; Wang, T.

2010-07-01

Until recently, studies of fog and cloud chemistry in China have been rare - even though the fate of China’s large sulfur dioxide emissions depends, in part, on the ability of regional clouds to support rapid aqueous oxidation to sulfate. Sulfur dioxide oxidized in regional clouds is more likely to be removed by wet deposition while sulfur dioxide that undergoes slower gas phase oxidation is expected to survive longer in the atmosphere and be transported over a much broader spatial scale. Two 2008 field campaigns conducted at Mt. Tai, an isolated peak on the NE China plain, provide insight into the chemical composition of regional clouds and the importance of various aqueous phase sulfur oxidation pathways. Single and two-stage Caltech Active Strand Cloudwater Collectors were used to collect bulk and drop size-resolved samples of cloudwater. Collected cloudwater was analyzed for key species that influence in-cloud sulfate production, including pH, S(IV), H2O2, Fe and Mn. Other major cloud solutes, including inorganic ions, total organic carbon (TOC), formaldehyde, and organic acids were also analyzed, as were gas phase concentrations of SO2, O3, and H2O2. A wide range of cloud pH was observed, from below 3 to above 6. High concentrations of cloudwater sulfate were consistent with abundant sulfur dioxide emissions in the region. Sampled clouds were also found to contain high concentrations of ammonium, nitrate, and organic carbon. Peak TOC concentrations reached approximately 200 ppmC, among the highest concentrations ever measured in cloudwater. Hydrogen peroxide was found to be the dominant aqueous phase S(IV) oxidant when cloud pH was less than approximately 5.4. Despite its fast reaction with sulfur dioxide in cloud droplets, high concentrations of residual hydrogen peroxide were measured in some clouds implying a substantial additional capacity for sulfate production. Ozone was found to be an important S(IV) oxidant when cloud pH was high. Oxidation of S

Chemistry Division annual progress report for period ending July 31, 1981

International Nuclear Information System (INIS)

1982-01-01

Research is reported on: chemistry of coal liquefaction, aqueous chemistry at high temperatures, geosciences, high-temperature chemistry and thermodynamics of structural materials, chemistry of TRU elements and compounds, separations chemistry, electrochemistry, nuclear waste chemistry, chemical physics, theoretical chemistry, inorganic chemistry of hydrogen cycles, molten salt systems, and enhanced oil recovery. Separate abstracts were prepared for the sections dealing with coal liquefaction, TRU elements and compounds, separations, nuclear wastes, and enhanced oil recovery

Chemistry Division annual progress report for period ending July 31, 1981

Energy Technology Data Exchange (ETDEWEB)

1982-01-01

Research is reported on: chemistry of coal liquefaction, aqueous chemistry at high temperatures, geosciences, high-temperature chemistry and thermodynamics of structural materials, chemistry of TRU elements and compounds, separations chemistry, electrochemistry, nuclear waste chemistry, chemical physics, theoretical chemistry, inorganic chemistry of hydrogen cycles, molten salt systems, and enhanced oil recovery. Separate abstracts were prepared for the sections dealing with coal liquefaction, TRU elements and compounds, separations, nuclear wastes, and enhanced oil recovery. (DLC)

Atmosphere physics and chemistry

International Nuclear Information System (INIS)

Delmas, R.; Megie, G.; Peuch, V.H.

2005-10-01

Since the 1970's, the awareness about the atmospheric pollution threat has led to a spectacular development of the researches on the complex interactions between the chemical composition of the atmosphere and the climate. This book makes a synthesis of the state-of-the-art in this very active domain of research. Content: introduction, atmosphere dynamics and transport, matter-radiation interaction and radiant transfer, physico-chemical processes, atmospheric aerosol and heterogenous chemistry, anthropic and natural emissions and deposition, stratospheric chemical system, tropospheric chemical system, polluted boundary layer, paleo-environments and ice archives, role of atmospheric chemistry in global changes, measurement principles and instruments, numerical modeling, experimental strategy, regulation and management of the atmospheric environment, index. (J.S.)

The role of cation exchange in controlling groundwater chemistry at Aspo, Sweden

International Nuclear Information System (INIS)

Viani, B.E.; Bruton, C.J.

1995-01-01

Construction-induced groundwater flow has resulted in the mixing of relatively dilute shallow groundwater with more concentrated groundwater at depth in the underground Hard Rock Laboratory (HRL) at Aespoe, Sweden. The observed compositional variation of the mixed groundwater cannot be explained using a conservative mixing model. The geochemical modeling package EQ3/6, to which a cation-exchange model was added, was used to simulate mixing between the two fluids. The results of modeling simulations suggest that cation exchange between groundwater and fracture-lining clays can explain the major element fluid chemistry observed in the HRL. The quantity of exchanger required to match simulated with observed fluid chemistry is reasonable and is consistent with the observed fracture mineralogy. This preliminary study establishes cation exchange as a viable mechanism for controlling the chemical evolution of groundwaters in a fracture-dominated dynamic flow system. This modeling study also strengthens their confidence in the ability to model the potential effects of fracture-lining minerals on the transport of radionuclides in a high level nuclear waste repository

Structural Chemistry of Human RNA Methyltransferases.

Science.gov (United States)

Schapira, Matthieu

2016-03-18

RNA methyltransferases (RNMTs) play important roles in RNA stability, splicing, and epigenetic mechanisms. They constitute a promising target class that is underexplored by the medicinal chemistry community. Information of relevance to drug design can be extracted from the rich structural coverage of human RNMTs. In this work, the structural chemistry of this protein family is analyzed in depth. Unlike most methyltransferases, RNMTs generally feature a substrate-binding site that is largely open on the cofactor-binding pocket, favoring the design of bisubstrate inhibitors. Substrate purine or pyrimidines are often sandwiched between hydrophobic walls that can accommodate planar ring systems. When the substrate base is laying on a shallow surface, a 5' flanking base is sometimes anchored in a druggable cavity. The cofactor-binding site is structurally more diverse than in protein methyltransferases and more druggable in SPOUT than in Rossman-fold enzymes. Finally, conformational plasticity observed both at the substrate and cofactor binding sites may be a challenge for structure-based drug design. The landscape drawn here may inform ongoing efforts toward the discovery of the first human RNMT inhibitors.

The Organic Chemistry of Conducting Polymers

Energy Technology Data Exchange (ETDEWEB)

Tolbert, Laren Malcolm [Georgia Inst. of Technology, Atlanta, GA (United States)

2014-12-01

For the last several years, we have examined the fundamental principles of conduction in one-dimensional systems, i.e., molecular “wires”. It is, of course, widely recognized that such systems, as components of electronically conductive materials, function in a two- and three-dimensional milieu. Thus interchain hopping and grain-boundary resistivity are limiting conductivity factors in highly conductive materials, and overall conductivity is a function of through-chain and boundary hopping. We have given considerable attention to the basic principles underlying charge transport (the “rules of the game”) in two-dimensional systems by using model systems which allow direct observation of such processes, including the examination of tunneling and hopping as components of charge transfer. In related work, we have spent considerable effort on the chemistry of conjugated heteropolymers, most especially polythiophens, with the aim of using these most efficient of readily available electroactive polymers in photovoltaic devices.

The molten salt reactors (MSR) pyro chemistry and fuel cycle for innovative nuclear systems

International Nuclear Information System (INIS)

Brossard, Ph.; Garzenne, C.; Mouney, H.

2002-01-01

In the frame of the studies on next generation nuclear systems, and especially for the molten salt reactors and for the integrated fuel cycle (as IFR), the fuel cycle constraints must be taken into account in the preliminary studies of the system to improve the cycle and reactor optimisation. Among the purposes for next generation nuclear systems, sustainability and waste (radio-toxicity and mass) management are important goals. These goals imply reprocessing and recycling strategies. The objectives of this workshop are to present and to share the different strategies and scenarios, the needs based on these scenarios, the experimental facilities available today or in the future and their capabilities, the needs for demonstration. It aims at: identifying the needs for fuel cycle based on solid fuel or liquid fuel, and especially, the on-line reprocessing or clean up for the molten salt reactors; assessing the state-of-the-art on the pyro-chemistry applied to solid fuel and to present the research activities; assessing the state-of-the-art on liquid fuels (or others), and to present the research activities; expressing the R and D programs for pyro-chemistry, molten salt, and also to propose innovative processes; and proposing some joint activities in the frame of GEDEON and PRACTIS programs. This document brings together the transparencies of 18 contributions dealing with: scenario studies with AMSTER concept (Scenarios, MSR, breeders (Th) and burners); fuel cycle for innovative systems; current reprocessing of spent nuclear fuel (SNF) in molten salts (review of pyro-chemistry processes (non nuclear and nuclear)); high temperature NMR spectroscopies in molten salts; reductive extraction of An from molten fluorides (salt - liquid metal extraction); electrochemistry characterisation; characterisation with physical methods - extraction coefficient and kinetics; electrolytic extraction; dissolution-precipitation of plutonium in the eutectic LiCl-KCl (dissolution and

Application of online chemistry monitoring programs and technology

International Nuclear Information System (INIS)

Perkins, D.; Choi, S.; Haas, C.

2010-01-01

To fully understand the impact of chemistry changes, several plant parameters must be considered and reviewed with actual chemistry analyses and compared to plant operating parameters. In some cases, this requires the ability to rapidly correlate plant operational data with laboratory and chemistry data. An effective online monitoring system should be able to: Integrate and extract online data from the plant laboratory and operating information from various plant data sources continuously; Interrogate and extract laboratory data from manually entered data on predefined frequencies; Interact with multiple laboratories in multiple locations; Evaluate data against plant limits (calculated or static) and provide personnel with action level or notification of plant exceeding limits; and, Provide the ability to evaluate against a standard and site specific set of calculations. The nuclear power industry continues to refine and apply new technologies in an effort to notify operators of changes in chemical conditions, calculate complex high temperature results, and monitor system performance. EPRI developed software specifically focused on plant chemistry program optimization using power operation and shutdown data applied with plant equipment. This software evolved into the family of software referred to as EPRI ChemWorks™ applications. As technology changed and improved, the application of online monitoring was essential for plant personnel working offsite. These changes in technology prompted EPRI to the development of SMART ChemWorks™ using the EPRI ChemWorks™ plant chemistry simulator and MULTEQ applications as the backbone for these simulations and calculations. SMART ChemWorks™ is an online monitoring system that queries plant databases and continuously monitors plant and chemistry parameters. The system uses a real-time intelligence engine to perform virtual sensing, identify normal and off-normal conditions and compare in-line instrument output to grab

Molecular biology: Self-sustaining chemistry

Directory of Open Access Journals (Sweden)

Wrede Paul

2007-10-01

Full Text Available Abstract Molecular biology is an established interdisciplinary field within biology that deals fundamentally with the function of any nucleic acid in the cellular context. The molecular biology section in Chemistry Central Journal focusses on the genetically determined chemistry and biochemistry occuring in the cell. How can thousands of chemical reactions interact smoothly to maintain the life of cells, even in a variable environment? How is this self-sustaining system achieved? These are questions that should be answered in the light of molecular biology and evolution, but with the application of biophysical, physico-chemical, analytical and preparative technologies. As the Section Editor for the molecular biology section in Chemistry Central Journal, I hope to receive manuscripts that present new approaches aimed at better answering and shedding light upon these fascinating questions related to the chemistry of livings cells.

Intracellular Chemistry: Integrating Molecular Inorganic Catalysts with Living Systems.

Science.gov (United States)

Ngo, Anh H; Bose, Sohini; Do, Loi H

2018-03-23

This concept article focuses on the rapid growth of intracellular chemistry dedicated to the integration of small-molecule metal catalysts with living cells and organisms. Although biological systems contain a plethora of biomolecules that can deactivate inorganic species, researchers have shown that small-molecule metal catalysts could be engineered to operate in heterogeneous aqueous environments. Synthetic intracellular reactions have recently been reported for olefin hydrogenation, hydrolysis/oxidative cleavage, azide-alkyne cycloaddition, allylcarbamate cleavage, C-C bond cross coupling, and transfer hydrogenation. Other promising targets for new biocompatible reaction discovery will also be discussed, with a special emphasis on how such innovations could lead to the development of novel technologies and chemical tools. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Selecting automation for the clinical chemistry laboratory.

Science.gov (United States)

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

2007-07-01

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

Chemistry of plutonium revealed

International Nuclear Information System (INIS)

Connick, R.E.

1992-01-01

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

Alkali-iodide/urania systems at high temperatures. 1. Cesium uranate chemistry

International Nuclear Information System (INIS)

McFarlane, J.; LeBlanc, J.C.

1994-09-01

Uranate compounds are likely to form in irradiated fuel from the reaction between UO 2 and fission products along UO 2 grain boundaries and in the fuel-cladding gap. Literature on the high-temperature chemistry of cesium and rubidium uranates was reviewed. Results from Knudsen cell experiments from 900 to 2600 K on cesium uranates are discussed. These studies indicate that the uranate phases formed depend on the oxygen potential of the system, which varies with the composition of the condensed phase. 62 refs., 12 figs., 6 tabs., 2 appendices

Gas-grain chemistry in cold interstellar cloud cores with a microscopic Monte Carlo approach to surface chemistry

Science.gov (United States)

Chang, Q.; Cuppen, H. M.; Herbst, E.

2007-07-01

Aims:We have recently developed a microscopic Monte Carlo approach to study surface chemistry on interstellar grains and the morphology of ice mantles. The method is designed to eliminate the problems inherent in the rate-equation formalism to surface chemistry. Here we report the first use of this method in a chemical model of cold interstellar cloud cores that includes both gas-phase and surface chemistry. The surface chemical network consists of a small number of diffusive reactions that can produce molecular oxygen, water, carbon dioxide, formaldehyde, methanol and assorted radicals. Methods: The simulation is started by running a gas-phase model including accretion onto grains but no surface chemistry or evaporation. The starting surface consists of either flat or rough olivine. We introduce the surface chemistry of the three species H, O and CO in an iterative manner using our stochastic technique. Under the conditions of the simulation, only atomic hydrogen can evaporate to a significant extent. Although it has little effect on other gas-phase species, the evaporation of atomic hydrogen changes its gas-phase abundance, which in turn changes the flux of atomic hydrogen onto grains. The effect on the surface chemistry is treated until convergence occurs. We neglect all non-thermal desorptive processes. Results: We determine the mantle abundances of assorted molecules as a function of time through 2 × 105 yr. Our method also allows determination of the abundance of each molecule in specific monolayers. The mantle results can be compared with observations of water, carbon dioxide, carbon monoxide, and methanol ices in the sources W33A and Elias 16. Other than a slight underproduction of mantle CO, our results are in very good agreement with observations.

Exploring Interactive and Dynamic Simulations Using a Computer Algebra System in an Advanced Placement Chemistry Course

Science.gov (United States)

Matsumoto, Paul S.

2014-01-01

The article describes the use of Mathematica, a computer algebra system (CAS), in a high school chemistry course. Mathematica was used to generate a graph, where a slider controls the value of parameter(s) in the equation; thus, students can visualize the effect of the parameter(s) on the behavior of the system. Also, Mathematica can show the…

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

Science.gov (United States)

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

2014-07-15

CONSPECTUS: Host-guest chemistry can greatly improve the selectivity of biomolecule-ligand binding on account of recognition-directed interactions. In addition, functional structures and the actuation of supramolecular assemblies in molecular systems can be controlled efficiently through various host-guest chemistry. Together, these highly selective, strong yet dynamic interactions can be exploited as an alternative methodology for applications in the field of programmable and controllable engineering of supramolecular soft materials through the reversible binding between complementary components. Many processes in living systems such as biotransformation, transportation of matter, and energy transduction begin with interfacial molecular recognition, which is greatly influenced by various external stimuli at biointerfaces. Detailed investigations about the molecular recognition at interfaces can result in a better understanding of life science, and further guide us in developing new biomaterials and medicines. In order to mimic complicated molecular-recognition systems observed in nature that adapt to changes in their environment, combining host-guest chemistry and surface science is critical for fabricating the next generation of multifunctional biointerfaces with efficient stimuli-responsiveness and good biocompatibility. In this Account, we will summarize some recent progress on multifunctional stimuli-responsive biointerfaces and biosurfaces fabricated by cyclodextrin- or cucurbituril-based host-guest chemistry and highlight their potential applications including drug delivery, bioelectrocatalysis, and reversible adsorption and resistance of peptides, proteins, and cells. In addition, these biointerfaces and biosurfaces demonstrate efficient response toward various external stimuli, such as UV light, pH, redox chemistry, and competitive guests. All of these external stimuli can aid in mimicking the biological stimuli evident in complex biological environments

Advances in water chemistry control for BWRs and PWRs

International Nuclear Information System (INIS)

Wood, C.J.

1997-01-01

This paper is an overview of the effects of water chemistry developments on the current operation of nuclear power plants in the United States, and the mitigation of corrosion-related degradation processes and radiation field build-up processes through the use of advanced water chemistry. Recent modifications in water chemistry to control and reduce radiation fields are outlined, including revisions to the EPRI water chemistry guidelines for BWRs and PWR primary and secondary systems. The change from a single water chemistry specification for all plants to a set of options, from which a plant-specific chemistry programme can be defined, is described. (author)

EPRI PWR primary water chemistry guidelines revision

International Nuclear Information System (INIS)

McElrath, Joel; Fruzzetti, Keith

2014-01-01

EPRI periodically updates the PWR Primary Water Chemistry Guidelines as new information becomes available and as required by NEI 97-06 (Steam Generator Program Guidelines) and NEI 03-08 (Guideline for the Management of Materials Issues). The last revision of the PWR water chemistry guidelines identified an optimum primary water chemistry program based on then-current understanding of research and field information. This new revision provides further details with regard to primary water stress corrosion cracking (PWSCC), fuel integrity, and shutdown dose rates. A committee of industry experts, including utility specialists, nuclear steam supply system (NSSS) and fuel vendor representatives, Institute of Nuclear Power Operations (INPO) representatives, consultants, and EPRI staff collaborated in reviewing the available data on primary water chemistry, reactor water coolant system materials issues, fuel integrity and performance issues, and radiation dose rate issues. From the data, the committee updated the water chemistry guidelines that all PWR nuclear plants should adopt. The committee revised guidance with regard to optimization to reflect industry experience gained since the publication of Revision 6. Among the changes, the technical information regarding the impact of zinc injection on PWSCC initiation and dose rate reduction has been updated to reflect the current level of knowledge within the industry. Similarly, industry experience with elevated lithium concentrations with regard to fuel performance and radiation dose rates has been updated to reflect data collected to date. Recognizing that each nuclear plant owner has a unique set of design, operating, and corporate concerns, the guidelines committee has retained a method for plant-specific optimization. Revision 7 of the Pressurized Water Reactor Primary Water Chemistry Guidelines provides guidance for PWR primary systems of all manufacture and design. The guidelines continue to emphasize plant

From hot atom chemistry to epithermal chemistry

International Nuclear Information System (INIS)

Roessler, K.

2004-01-01

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

Mathematical Chemistry

OpenAIRE

Trinajstić, Nenad; Gutman, Ivan

2002-01-01

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

Multi-level computational chemistry study on hydrogen recombination catalyst of off-gas treatment system

International Nuclear Information System (INIS)

Hatakeyama, Nozomu; Ise, Mariko; Inaba, Kenji

2011-01-01

In order to reveal the deactivation mechanism of the hydrogen recombination catalyst of off-gas treatment system, we investigate by using multi-level computational chemistry simulation methods. The recombiner apparatus is modeled by the numerical mesh system in the axial coordinates, and unsteady, advection and reaction rate equations are solved by using a finite difference method. The chemical reactions are formulated to represent adsorption-desorption of hydrogen and oxygen on Pt catalyst, and time developments of the coverage factors of Pt are solved numerically. The computational simulations successfully reproduce the very similar behaviors observed by experiments, such as increasing of the inversion rates of H 2 to H 2 O, the temperatures distributions along the flow direction, dependencies of experimental condition, and so on. Thus Pt poisoning is considered to cause the deactivation of the hydrogen recombination catalyst. To clarify the poisoning mechanism, the molecular level simulation is applied to the system of Pt on boehmite attacked by a cyclic siloxane which has been detected by experiments and considered as one of poisoning spices. The simulation shows ring-opening reaction of the cyclic siloxane on Pt, then attachment of two ends of the chain-like siloxane to Pt and boehmite, respectively, and that finally the recombination reaction is prevented. This may be the first study to find out the detailed dynamical mechanism of hydrogen recombination catalyst poisoning with cyclic siloxane. (author)

Effect of ionizing radiation on moist air systems

International Nuclear Information System (INIS)

Reed, D.T.; Van Konynenburg, R.A.

1987-01-01

The radiation chemistry of nitrogen/oxygen/water systems is reviewed. General radiolytic effects in dry nitrogen/oxygen systems are relatively well characterized. Irradiation results in the formation of steady state concentrations of ozone, nitrous oxide and nitrogen dioxide. In closed systems, the concentration observed depends on the total dose, temperature and initial gas composition. Only three studies have been published that focus on the radiation chemistry of nitrogen/oxygen/water homogeneous gas systems. Mixed phase work that is relevant to the gaseous system is also summarized. The presence of water vapor results in the formation of nitric acid and significantly changes the chemistry observed in dry air systems. Mechanistic evidence from the studies reviewed are summarized and discussed in relation to characterizing the gas phase during the containment period of a repository in tuff

The water chemistry of CANDU PHW reactors

International Nuclear Information System (INIS)

LeSurf, J.E.

1978-01-01

This review will discuss the chemistry of the three major water circuits in a CANDU-PHW reactor, viz., the Primary Heat Transport (PHT) water, the moderator and the boiler water. An important consideration for the PHT chemistry is the control of corrosion and of the transport of corrosion products to minimize the growth of radiation fields. In new reactors the PHT will be allowed to boil, requiring reconsideration of the methods used to radiolytic oxygen and elevate the pH. Separation of the moderator from the PHT in the pressure-tubed CANDU design permits better optimization of the chemistry of each system, avoiding the compromises necessary when the same water serves both functions. Major objectives in moderator chemistry are to control (a) the radiolytic decomposition of D 2 0; (b) the concentration of soluble neutron poisons added to adjust reactivity; and (c) the chemistry of shutdown systems. The boiler water and its feed water are treated to avoid boiler tube corrosion, both during normal operation and when perturbations are caused to the feed by, for example, leaks in the condenser tubes which permit ingress of untreated condenser cooling water. Development of a system for automatic analysis and control of feed water to give rapid, reliable response to abnormal conditions is a novel feature which has been developed for incorporation in future CANDU-PHW reactors. (author)

The chemistry of plutonium revealed

International Nuclear Information System (INIS)

Connick, R.E.

1990-01-01

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

Computing protein infrared spectroscopy with quantum chemistry.

Science.gov (United States)

Besley, Nicholas A

2007-12-15

Quantum chemistry is a field of science that has undergone unprecedented advances in the last 50 years. From the pioneering work of Boys in the 1950s, quantum chemistry has evolved from being regarded as a specialized and esoteric discipline to a widely used tool that underpins much of the current research in chemistry today. This achievement was recognized with the award of the 1998 Nobel Prize in Chemistry to John Pople and Walter Kohn. As the new millennium unfolds, quantum chemistry stands at the forefront of an exciting new era. Quantitative calculations on systems of the magnitude of proteins are becoming a realistic possibility, an achievement that would have been unimaginable to the early pioneers of quantum chemistry. In this article we will describe ongoing work towards this goal, focusing on the calculation of protein infrared amide bands directly with quantum chemical methods.

Closed cooling water chemistry guidelines revision

International Nuclear Information System (INIS)

McElrath, Joel; Breckenridge, Richard

2014-01-01

This second revision of the Closed Cooling Water Chemistry Guideline addresses the use of chemicals and monitoring methods to mitigate corrosion, fouling, and microbiological growth in the closed cooling-water (CCW) systems of nuclear and fossil-fueled power plants. This revision has been endorsed by the utility chemistry community and represents another step in developing a more proactive chemistry program to limit or control closed cooling system degradation with increased consideration of corporate resources and plant-specific design and operating concerns. These guidelines were developed using laboratory data, operating experience, and input from organizations and utilities within and outside of the United States of America. It is the intent of the Revision Committee that these guidelines are applicable to all nuclear and fossil-fueled generating stations around the world. A committee of industry experts—including utility specialists, Institute of Nuclear Power Operations representatives, water-treatment service-company representatives, consultants, a primary contractor, and EPRI staff—collaborated in reviewing available data on closed cooling-water system corrosion and microbiological issues. Recognizing that each plant owner has a unique set of design, operating, and corporate concerns, the Guidelines Committee developed a methodology for plant-specific optimization. The guideline provides the technical basis for a reasonable but conservative set of chemical treatment and monitoring programs. The use of operating ranges for the various treatment chemicals discussed in this guideline will allow a power plant to limit corrosion, fouling, and microbiological growth in CCW systems to acceptable levels. The guideline now includes closed cooling chemistry regimes proven successful in use in the international community. The guideline provides chemistry constraints for the use of phosphates control, as well as pure water with pH control. (author)

Water chemistry features of advanced heavy water reactor

International Nuclear Information System (INIS)

Sriram, Jayasree; Vijayan, K.; Kain, Vivekanad; Velmurugan, S.

2015-01-01

Advanced Heavy Water Reactor (AHWR) being designed in India proposes to use Plutonium and Thorium as fuel. The objective is to extract energy from the uranium-233 formed from Thorium. It is a heavy water moderated and light water cooled tube type boiling water reactor. It is a heavy water moderated and light water cooled tube type boiling water reactor. It is a natural circulation reactor. Thus, it has got several advanced passive safety features built into the system. The various water coolant systems are listed below. i) Main Heat transport System ii) Feed water system iii) Condenser cooling system iv) Process water system and safety systems. As it is a tube type reactor, the radiolysis control differs from the normal boiling water reactor. The coolant enters the bottom of the coolant channel, boiling takes place and then the entire steam water mixture exits the core through the long tail pipes and reaches the moisture separator. Thus, there is a need to devise methods to protect the tail pipes from oxidizing water chemistry condition. Similarly, the moderator heavy water coolant chemistry differs from that of moderator system chemistry of PHWR. The reactivity worth per ppm of gadolinium and boron are low in comparison to PHWR. As a result, much higher concentration of neutron poison has to be added for planned shutdown, start up and for actuating SDS-2. The addition of higher concentration of neutron poison result in higher radiolytic production of deuterium and oxygen. Their recombination back to heavy water has to take into account the higher production of these gases. This paper also discusses the chemistry features of safety systems of AHWR. In addition, the presentation will cover the chemistry monitoring methodology to be implemented in AHWR. (author)

Smart Cities Will Need Chemistry

Directory of Open Access Journals (Sweden)

Alexandru WOINAROSCHY

2016-06-01

Full Text Available A smart city is a sustainable and efficient urban centre that provides a high quality of life to its inhabitants through optimal management of its resources. Chemical industry has a key role to play in the sustainable evolution of the smart cities. Additionally, chemistry is at the heart of all modern industries, including electronics, information technology, biotechnology and nano-technology. Chemistry can make the smart cities project more sustainable, more energy efficient and more cost effective. There are six broad critical elements of any smart city: water management systems; infrastructure; transportation; energy; waste management and raw materials consumption. In all these elements chemistry and chemical engineering are deeply involved.

Fascinating chemistry or frustrating unpredictability : Observations in crystal engineering of metal–organic frameworks

NARCIS (Netherlands)

Goesten, M.G.; Kapteijn, F.; Gascon, J.

2013-01-01

Reticular design is a highly attractive concept, but coordination chemistry around the tectonic units of metal– organic frameworks (MOFs) and additional interplay with anionic and solvent species provide for dazzling complexity that effectively rules out structure prediction. We can however study

Photochemical Formation of Aerosol in Planetary Atmospheres: Photon and Water Mediated Chemistry of SO_2

Science.gov (United States)

Kroll, Jay A.; Donaldson, D. J.; Vaida, Veronica

2016-06-01

Sulfur compounds have been observed in a number of planetary atmospheres throughout our solar system. Our current understanding of sulfur chemistry explains much of what we observe in Earth's atmosphere. However, several discrepancies between modeling and observations of the Venusian atmosphere show there are still problems in our fundamental understanding of sulfur chemistry. This is of particular concern due to the important role sulfur compounds play in the formation of aerosols, which have a direct impact on planetary climates, including Earth's. We investigate the role of water complexes in the hydration of sulfur oxides and dehydration of sulfur acids and will present spectroscopic studies to document such effects. I will present recent work investigating mixtures of SO_2 and water that generate large quantities of aerosol when irradiated with solar UV light, even in the absence of traditional OH chemistry. I will discuss a proposed mechanism for the formation of sulfurous acid (H_2SO_3) and present recent experimental work that supports this proposed mechanism. Additionally, the implications that photon-induced hydration of SO_2 has for aerosol formation in the atmosphere of earth as well as other planetary atmospheres will be discussed.

Water chemistry management of research reactor in JAERI

Energy Technology Data Exchange (ETDEWEB)

Yoshijima, Tetsuo [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment

1998-10-01

The JRR-3M cooling system consists of four systems, namely; (1) primary cooling system, (2) heavy water cooling system, (3) helium system and (4) secondary cooling system. The heavy water is used for reflector and pressurized with helium gas. Water chemistry management of the JRR-3M cooling systems is one of the important subject for the safety operation. The main objects are to prevent the corrosion of cooling system and fuel elements, to suppress the plant radiation build-up and to minimize the generation of radioactive waste. All measured values were within the limits of specifications and JRR-3M reactor was operated with safety in 1996. Spent fuels of JRR-3M reactor are stored in the spent fuel pool. This pool water has been analyzed to prevent corrosion of aluminum cladding of spent fuels. Water chemistry of spent fuel pool water is applied to the prevention of corrosion of aluminum alloys including fuel cladding. The JRR-2 reactor was eternally stopped in December 1996 and is now under decommissioning. The JRR-2 reactor is composed of heavy water tank, fuel guide tube and horizontal experimental hole. These are constructed of aluminum alloy and biological shield and upper shield are constructed of concrete. Three types of corrosion of aluminum alloy were observed in the JRR-2. The Alkaline corrosion of aluminum tube occurred in 1972 because of the mechanical damage of the aluminum fuel guide tube which is used for fuel handling. Modification of the reactor top shield was started in 1974 and completed in 1975. (author)

Radiation chemistry and its application

International Nuclear Information System (INIS)

Majima, Tetsuro

2013-01-01

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

Chemistry in and from nuclear fusion

International Nuclear Information System (INIS)

Okamoto, M.

1989-01-01

The time, of the realization of nuclear fusion reactor is not clear even now. However, it is generally believed that the nuclear fusion is only one candidate of the big power source for humanbeing. We may be not able to, but our children or grandchildren would be able to see the nuclear fusion reactors. The nuclear fusion development may be the last and biggest technology program for us, so it will take so long leading time. Now, we are in the first stage of this leading time, I think. As being found in the history of every technology, chemistry is essential to develop the fusion nuclear technology. To assure the safety of the nuclear fusion system, chemistry should play the main role. There have been already not a few advanced chemistry initiated by the connected technologies with the nuclear fusion researches. The nuclear fusion needs chemistry and the nuclear fusion leads some of the new phases of chemistry. (author)

Maintenance, outages and chemistry really can be compatible

International Nuclear Information System (INIS)

Roberts, J.G.; Deaconescu, R.

2006-01-01

'Full text:' In their address to the Canadian Nuclear Society, Bruce Power's Chemistry Design staff will describe how maintenance and outages can impact negatively on chemistry control and asset protection. Considerations of material impacts and material condition have significant influences on the approach to, and control of, chemistry. This applies equally to operation as it does during unit and/or system outages. Ideas will be presented as to how to facilitate making maintenance, outages and chemistry compatible. It will be shown how the lack of such an approach can lead to disastrous results. (author)

Industrial chemistry engineering

International Nuclear Information System (INIS)

1993-01-01

This book on industrial chemistry engineering is divided in two parts. The first part deals with industrial chemistry, inorganic industrial chemistry, organic industrial chemistry, analytical chemistry and practical questions. The last parts explain the chemical industry, a unit parts and thermodynamics in chemical industry and reference. It reveals the test subjects for the industrial chemistry engineering with a written examination and practical skill.

42 CFR 493.1267 - Standard: Routine chemistry.

Science.gov (United States)

2010-10-01

... 42 Public Health 5 2010-10-01 2010-10-01 false Standard: Routine chemistry. 493.1267 Section 493.1267 Public Health CENTERS FOR MEDICARE & MEDICAID SERVICES, DEPARTMENT OF HEALTH AND HUMAN SERVICES... Systems § 493.1267 Standard: Routine chemistry. For blood gas analyses, the laboratory must perform the...

Exploring students' perceptions and performance on predict-observe-explain tasks in high school chemistry laboratory

Science.gov (United States)

Vadapally, Praveen

This study sought to understand the impact of gender and reasoning level on students' perceptions and performances of Predict-Observe-Explain (POE) laboratory tasks in a high school chemistry laboratory. Several literature reviews have reported that students at all levels have not developed the specific knowledge and skills that were expected from their laboratory work. Studies conducted over the last several decades have found that boys tend to be more successful than girls in science and mathematics courses. However, some recent studies have suggested that girls may be reducing this gender gap. This gender difference is the focal point of this research study, which was conducted at a mid-western, rural high school. The participants were 24 boys and 25 girls enrolled in two physical science classes taught by the same teacher. In this mixed methods study, qualitative and quantitative methods were implemented simultaneously over the entire period of the study. MANOVA statistics revealed significant effects due to gender and level of reasoning on the outcome variables, which were POE performances and perceptions of the chemistry laboratory environment. There were no significant interactions between these effects. For the qualitative method, IRB-approved information was collected, coded, grouped, and analyzed. This method was used to derive themes from students' responses on questionnaires and semi-structured interviews. Students with different levels of reasoning and gender were interviewed, and many of them expressed positive themes, which was a clear indication that they had enjoyed participating in the POE learning tasks and they had developed positive perceptions towards POE inquiry laboratory learning environment. When students are capable of formal reasoning, they can use an abstract scientific concept effectively and then relate it to the ideas they generate in their minds. Thus, instructors should factor the nature of students' thinking abilities into their

Organic Chemistry Educators' Perspectives on Fundamental Concepts and Misconceptions: An Exploratory Study

Science.gov (United States)

Duis, Jennifer M.

2011-01-01

An exploratory study was conducted with 23 organic chemistry educators to discover what general chemistry concepts they typically review, the concepts they believe are fundamental to introductory organic chemistry, the topics students find most difficult in the subject, and the misconceptions they observe in undergraduate organic chemistry…

Californian forest fire plumes over Southwestern British Columbia: lidar, sunphotometry, and mountaintop chemistry observations

Directory of Open Access Journals (Sweden)

I. McKendry

2011-01-01

Full Text Available Forest fires in Northern California and Oregon were responsible for two significant regional scale aerosol transport events observed in southern British Columbia during summer 2008. A combination of ground based (CORALNet and satellite (CALIPSO lidar, sunphotometry and high altitude chemistry observations permitted unprecedented characterization of forest fire plume height and mixing as well as description of optical properties and physicochemistry of the aerosol. In southwestern BC, lidar observations show the smoke to be mixed through a layer extending to 5–6 km a.g.l. where the aerosol was confined by an elevated inversion in both cases. Depolarization ratios for a trans-Pacific dust event (providing a basis for comparison and the two smoke events were consistent with observations of dust and smoke events elsewhere and permit discrimination of aerosol events in the region. Based on sunphotometry, the Aerosol Optical Thicknesses (AOT reached maxima of ~0.7 and ~0.4 for the two events respectively. Dubovik-retrieval values of r_{eff, f} during both the June/July and August events varied between about 0.13 and 0.15 μm and confirm the dominance of accumulation mode size particles in the forest fire plumes. Both Whistler Peak and Mount Bachelor Observatory data show that smoke events are accompanied by elevated CO and O₃ concentrations as well as elevated K⁺/SO₄ ratios. In addition to documenting the meteorology and physic-chemical characteristics of two regional scale biomass burning plumes, this study demonstrates the positive analytical synergies arising from the suite of measurements now in place in the Pacific Northwest, and complemented by satellite borne instruments.

Research needs and opportunities in radiation chemistry workshop

Energy Technology Data Exchange (ETDEWEB)

Barbara, Paul F

1998-04-19

There is a growing urgency for forefront basic research on ionizing radiation-induced chemical reactions, due to the relevance of these reactions in such areas of critical national need as environmental waste management, environmental remediation, nuclear energy production, and medical diagnosis and radiation therapy. Fortunately, the emergence of new theoretical and experimental tools for the study of radiation-induced chemical and physical processes, i.e. Radiation Chemistry, makes future progress quite promising. Nevertheless, a recent decline in he number of young investigators in radiation chemistry, as well as a natural obsolescence of large research facilities in radiation chemistry are serious obstacles to further progress. Understanding radiation-induced processes is of vital significance in such diverse fields as waste remediation in environmental cleanup, radiation processing of polymers and food, medical diagnosis and therapy, catalysis of chemical reactions, environmentally benign synthesis, and nuclear energy production. Radiation chemistry provides for these fields fundamental quantitative data, such as reaction rate coefficients, diffusion coefficients, radiation chemical yields, etc. As well as providing useful quantitative information of technological and medical importance, radiation chemistry is also a valuable tool for solving fundamental problems in chemistry and in material sciences. Exploiting the many facets of radiation chemistry requires a thorough and comprehensive understanding of the underlying chemical and physical processes. An understanding of the structure and dynamics of “tracks” produced by ionizing radiation is a central issue in the field. There is a continuing need to study the ultrafast processes that link the chemistry and physics of radiation-induced phenomena. This is especially true for practically important, but less well understood, nonstandard environments such as interfacial systems, supercritical media, and

Current organic chemistry

National Research Council Canada - National Science Library

1997-01-01

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

Aquatic Chemistry

International Nuclear Information System (INIS)

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

1987-07-01

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

Combinatorial chemistry

DEFF Research Database (Denmark)

Nielsen, John

1994-01-01

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

Forensic Chemistry

Science.gov (United States)

Bell, Suzanne

2009-07-01

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

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

International Nuclear Information System (INIS)

Ryan, R.R.

1981-05-01

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

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

Energy Technology Data Exchange (ETDEWEB)

Ryan, R.R. (comp.)

1981-05-01

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

Identification of Chemistry Learning Problems Viewed From Conceptual Change Model

OpenAIRE

Redhana, I. W; Sudria, I. B. N; Hidayat, I; Merta, L. M

2017-01-01

This study aimed at describing and explaining chemistry learning problems viewed from conceptual change model and misconceptions of students. The study was qualitative research of case study type conducted in one class of SMAN 1 Singaraja. Subjects of the study were a chemistry teacher and students. Data were obtained through classroom observation, interviews, and conception tests. The chemistry learning problems were grouped based on aspects of necessity, intelligibility, plausibility, and f...

Controlling Chemistry in Dynamic Nanoscale Systems

DEFF Research Database (Denmark)

Jesorka, Aldo; Lizana, Ludvig; Konkoli, Zoran

2011-01-01

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

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

OpenAIRE

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

2009-01-01

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

Current status of regulatory aspects relating to water chemistry in Japanese NPPs

International Nuclear Information System (INIS)

Sato, Masatoshi

2014-01-01

In nuclear power plants, water chemistry of cooling water is carefully monitored and controlled to keep integrity of structures, systems and components, and to reduce occupational radiation exposures. As increasing demand for advanced application of light water cooled reactors, water chemistry control plays more important roles on plant reliability. The road maps on R and D for water chemistry of nuclear power systems have been proposed along with promotion of R and D related water chemistry in Japan. In academic and engineering societies, non-governmental standards for water chemistry are going to be established. In the present paper, recent trends of water chemistry in Japan have been surveyed. The effects of water chemistry on plant safety and radiation exposures have been discussed. In addition, possible contributions of regulation regarding water chemistry control have been confirmed. Major water chemistry regulatory aspects relating to reactor safety and radiation safety are also outlined in this paper. (author)

Water chemistry guidance in nuclear power plants in Japan

International Nuclear Information System (INIS)

Uchida, Shunsuke; Okada, Hidetoshi; Suzuki, Hiroaki; Naitoh, Masanori

2012-01-01

Water chemistry plays important roles in safe and reliable plant operation which are very critical for future power rate increases as well as aging plant management. Water chemistry control is required to satisfy the need for improved integrity of target materials, and at the same time it must be optimal for all materials and systems in a plant. Optimal water chemistry can be maintained by expert engineers who are knowledgeable about plant water chemistry, who have sufficient experience with plant operation, and whose knowledge is based on fundamental technologies. One of the latest subjects in the field of water chemistry is achieving suitable technical transfers, in which the achievements and experience with plant water chemistry accumulated by experts are successfully transferred to the next generation of engineers. For this purpose, documents on experience with water chemistry are being compiled as the guidance for water chemistry control and water chemistry standards, e.g., standards for chemical analysis procedures and guidance for water chemistry control procedures. This paper introduces the latest activities in Japan in establishing water chemistry guidance involving water chemistry standards, guidance documents and their supporting documents. (orig.)

The GEOS Chemistry Climate Model: Comparisons to Satellite Data

Science.gov (United States)

Stolarski, R. S.; Douglass, A. R.

2008-05-01

The Goddard Earth Observing System Chemistry Climate Model (GEOS CCM) has been developed by combining the atmospheric chemistry and transport modules developed over the years at Goddard and the GEOS general circulation model, also developed at Goddard. We will compare model simulations of ozone, and the minor constituents that affect ozone, for the period around 1980 with newly released revised data from the Limb Infrared Monitor of the Stratosphere (LIMS) instrument on Nimbus 4. We will also compare model simulations for the period of the early 2000s with the data from the Microwave Limb Sounder (MLS) and the High Resolution Dynamic Limb Sounder (HRDLS) on the Aura satellite. We will use these comparisons to examine the performance of the model for the present atmosphere and for the change that has occurred during the last 2 decades of ozone loss due to chlorine and bromine compounds released from chlorofluorocarbons and halons.

Introduction to nuclear chemistry

International Nuclear Information System (INIS)

Lieser, K.H.

1980-01-01

The study in this book begins with the periodic system of elements (chapter 1). The physical fundamentals necessary to understand nuclear chemistry are dealt with in chapter 2. Chapter 3 and 4 treat the influence of the mass number on the chemical behaviour (isotope effect) and the isotope separation methods thus based on this effect. A main topic is studied in chapter 5, the laws of radioactive decay, a second main topic is dealt with in chapter 8, nuclear reactions. The chemical effects of nuclear reactions are treated on their own chapter 9. Radiochemical reactions which are partly closely linked to the latter are only briefly discussed in chapter 10. The following chapters discuss the various application fields of nuclear chemistry. The large apparatus indispensable for nuclear chemistry is dealt with in a special chapter (chapter 12). Chapter 15 summarizes the manifold applications. (orig.) [de

Bad chemistry

OpenAIRE

Petsko, Gregory A

2004-01-01

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

Maintenance, outages and chemistry really can be compatible

Energy Technology Data Exchange (ETDEWEB)

Roberts, J.G.; Deaconescu, R. [Bruce Power, Tiverton, Ontario (Canada)

2006-07-01

'Full text:' In their address to the Canadian Nuclear Society, Bruce Power's Chemistry Design staff will describe how maintenance and outages can impact negatively on chemistry control and asset protection. Considerations of material impacts and material condition have significant influences on the approach to, and control of, chemistry. This applies equally to operation as it does during unit and/or system outages. Ideas will be presented as to how to facilitate making maintenance, outages and chemistry compatible. It will be shown how the lack of such an approach can lead to disastrous results. (author)

Positronium chemistry

CERN Document Server

Green, James

1964-01-01

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

Industrial applications of radiation chemistry

International Nuclear Information System (INIS)

Puig, Jean Rene

1959-01-01

The status of industrial applications of radiation chemistry as it stands 6 months after the second Geneva international conference is described. The main features of the interaction of ionizing radiations with matter are briefly stated and a review is made of the best studied and the more promising systems of radiation chemistry. The fields of organics, plastics, heterogeneous catalysis are emphasized. Economies of radiation production and utilization are discussed. Reprint of a paper published in Industries atomiques - no. 5-6, 1959

Controlling chemistry parameters in nuclear reactors and power plants, plant chemistry specification requirements and compliance - an overview of TAPS 1 and 2 experiences

International Nuclear Information System (INIS)

Ravindranath; Muralidharan, K.; Save, C.B.; Patil, D.P.

2006-01-01

Tarapur Atomic Power Station -TAPS 1 and 2 is a twin unit Boiling Water Reactor (BWR) Nuclear Power Plant commissioned in the year 1969. Both units are running with capacity factor of more than 90 % in their 20 th cycle of operation as on today. The 220 MWe units were derated to 160 MWe during 1984 consequent to isolation of Secondary Steam Generators (SSG) in the 10 th cycle of operation due to SSG tube leaks. This paper presents an overview of Plant Chemistry Control measures and experiences during the last 38 years of operation. The overall plant chemistry performance of TAPS 1 and 2 observed is very good; which is evident from the material condition of various systems reflected in QC and I reports, NDT and ISI reports. This is also supported by the fact that both Units are showing excellent performance continuously during recent years. (author)

Adaptation of quantum chemistry software for the electronic structure calculations on GPU for solid-state systems

International Nuclear Information System (INIS)

Gusakov, V.E.; Bel'ko, V.I.; Dorozhkin, N.N.

2015-01-01

We report on adaptation of quantum chemistry software - Quantum Espresso and LASTO - for the electronic structure calculations for the complex solid-state systems on the GeForce series GPUs using the nVIDIA CUDA technology. Specifically, protective covering based on transition metal nitrides are considered. (authors)

Non-thermally activated chemistry

International Nuclear Information System (INIS)

Stiller, W.

1987-01-01

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

High fidelity chemistry and radiation modeling for oxy -- combustion scenarios

Science.gov (United States)

Abdul Sater, Hassan A.

To account for the thermal and chemical effects associated with the high CO2 concentrations in an oxy-combustion atmosphere, several refined gas-phase chemistry and radiative property models have been formulated for laminar to highly turbulent systems. This thesis examines the accuracies of several chemistry and radiative property models employed in computational fluid dynamic (CFD) simulations of laminar to transitional oxy-methane diffusion flames by comparing their predictions against experimental data. Literature review about chemistry and radiation modeling in oxy-combustion atmospheres considered turbulent systems where the predictions are impacted by the interplay and accuracies of the turbulence, radiation and chemistry models. Thus, by considering a laminar system we minimize the impact of turbulence and the uncertainties associated with turbulence models. In the first section of this thesis, an assessment and validation of gray and non-gray formulations of a recently proposed weighted-sum-of-gray gas model in oxy-combustion scenarios was undertaken. Predictions of gas, wall temperatures and flame lengths were in good agreement with experimental measurements. The temperature and flame length predictions were not sensitive to the radiative property model employed. However, there were significant variations between the gray and non-gray model radiant fraction predictions with the variations in general increasing with decrease in Reynolds numbers possibly attributed to shorter flames and steeper temperature gradients. The results of this section confirm that non-gray model predictions of radiative heat fluxes are more accurate than gray model predictions especially at steeper temperature gradients. In the second section, the accuracies of three gas-phase chemistry models were assessed by comparing their predictions against experimental measurements of temperature, species concentrations and flame lengths. The chemistry was modeled employing the Eddy

Chemistry Division : Annual progress report of 1974

International Nuclear Information System (INIS)

1974-01-01

Research and development activities (during 1974) of the Chemistry Division of the Bhabha Atomic Research Centre, Bombay, are described. Some of the activities of particular interest to nuclear science and technology are: (1) chemistry-based problems of the operating power reactors such as development of a decontaminating solution for power reactors, correlation of iodine-131 levels in the primary heat transport system of a reactor with its operation (2) release of fission gases like xenon from ceramic fuels and (3) radiation chemistry of nitrate solutions (M.G.B.)

Molecular dynamics for irradiation driven chemistry: application to the FEBID process*

Science.gov (United States)

Sushko, Gennady B.; Solov'yov, Ilia A.; Solov'yov, Andrey V.

2016-10-01

A new molecular dynamics (MD) approach for computer simulations of irradiation driven chemical transformations of complex molecular systems is suggested. The approach is based on the fact that irradiation induced quantum transformations can often be treated as random, fast and local processes involving small molecules or molecular fragments. We advocate that the quantum transformations, such as molecular bond breaks, creation and annihilation of dangling bonds, electronic charge redistributions, changes in molecular topologies, etc., could be incorporated locally into the molecular force fields that describe the classical MD of complex molecular systems under irradiation. The proposed irradiation driven molecular dynamics (IDMD) methodology is designed for the molecular level description of the irradiation driven chemistry. The IDMD approach is implemented into the MBN Explorer software package capable to operate with a large library of classical potentials, many-body force fields and their combinations. IDMD opens a broad range of possibilities for modelling of irradiation driven modifications and chemistry of complex molecular systems ranging from radiotherapy cancer treatments to the modern technologies such as focused electron beam deposition (FEBID). As an example, the new methodology is applied for studying the irradiation driven chemistry caused by FEBID of tungsten hexacarbonyl W(CO)6 precursor molecules on a hydroxylated SiO2 surface. It is demonstrated that knowing the interaction parameters for the fragments of the molecular system arising in the course of irradiation one can reproduce reasonably well experimental observations and make predictions about the morphology and molecular composition of nanostructures that emerge on the surface during the FEBID process.

Development of a Grid-Independent Geos-Chem Chemical Transport Model (v9-02) as an Atmospheric Chemistry Module for Earth System Models

Science.gov (United States)

Long, M. S.; Yantosca, R.; Nielsen, J. E; Keller, C. A.; Da Silva, A.; Sulprizio, M. P.; Pawson, S.; Jacob, D. J.

2015-01-01

The GEOS-Chem global chemical transport model (CTM), used by a large atmospheric chemistry research community, has been re-engineered to also serve as an atmospheric chemistry module for Earth system models (ESMs). This was done using an Earth System Modeling Framework (ESMF) interface that operates independently of the GEOSChem scientific code, permitting the exact same GEOSChem code to be used as an ESM module or as a standalone CTM. In this manner, the continual stream of updates contributed by the CTM user community is automatically passed on to the ESM module, which remains state of science and referenced to the latest version of the standard GEOS-Chem CTM. A major step in this re-engineering was to make GEOS-Chem grid independent, i.e., capable of using any geophysical grid specified at run time. GEOS-Chem data sockets were also created for communication between modules and with external ESM code. The grid-independent, ESMF-compatible GEOS-Chem is now the standard version of the GEOS-Chem CTM. It has been implemented as an atmospheric chemistry module into the NASA GEOS- 5 ESM. The coupled GEOS-5-GEOS-Chem system was tested for scalability and performance with a tropospheric oxidant-aerosol simulation (120 coupled species, 66 transported tracers) using 48-240 cores and message-passing interface (MPI) distributed-memory parallelization. Numerical experiments demonstrate that the GEOS-Chem chemistry module scales efficiently for the number of cores tested, with no degradation as the number of cores increases. Although inclusion of atmospheric chemistry in ESMs is computationally expensive, the excellent scalability of the chemistry module means that the relative cost goes down with increasing number of cores in a massively parallel environment.

Green chemistry: A tool in Pharmaceutical Chemistry

OpenAIRE

Smita Talaviya; Falguni Majumdar

2012-01-01

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

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

International Nuclear Information System (INIS)

Uenak, T.

2009-01-01

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

A Wet Chemistry Laboratory Cell

Science.gov (United States)

2008-01-01

This picture of NASA's Phoenix Mars Lander's Wet Chemistry Laboratory (WCL) cell is labeled with components responsible for mixing Martian soil with water from Earth, adding chemicals and measuring the solution chemistry. WCL is part of the Microscopy, Electrochemistry, and Conductivity Analyzer (MECA) instrument suite on board the Phoenix lander. The Phoenix Mission is led by the University of Arizona, Tucson, on behalf of NASA. Project management of the mission is by NASA's Jet Propulsion Laboratory, Pasadena, Calif. Spacecraft development is by Lockheed Martin Space Systems, Denver.

Theoretical chemistry advances and perspectives

CERN Document Server

Eyring, Henry

1980-01-01

Theoretical Chemistry: Advances and Perspectives, Volume 5 covers articles concerning all aspects of theoretical chemistry. The book discusses the mean spherical approximation for simple electrolyte solutions; the representation of lattice sums as Mellin-transformed products of theta functions; and the evaluation of two-dimensional lattice sums by number theoretic means. The text also describes an application of contour integration; a lattice model of quantum fluid; as well as the computational aspects of chemical equilibrium in complex systems. Chemists and physicists will find the book usef

Window observers for linear systems

Directory of Open Access Journals (Sweden)

Utkin Vadim

2000-01-01

Full Text Available Given a linear system x ˙ = A x + B u with output y = C x and a window function ω ( t , i.e., ∀ t , ω ( t ∈ {0,1 }, and assuming that the window function is Lebesgue measurable, we refer to the following observer, x ˆ = A x + B u + ω ( t L C ( x − x ˆ as a window observer. The stability issue is treated in this paper. It is proven that for linear time-invariant systems, the window observer can be stabilized by an appropriate design under a very mild condition on the window functions, albeit for linear time-varying system, some regularity of the window functions is required to achieve observer designs with the asymptotic stability. The corresponding design methods are developed. An example is included to illustrate the possible applications

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

African Journals Online (AJOL)

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

Advanced radiation chemistry research: Current status

Energy Technology Data Exchange (ETDEWEB)

NONE

1995-10-01

Radiation chemistry is a branch of chemistry that studies chemical transformations in materials exposed to high-energy radiations. It is based on the use of ionizing radiation as the initiator or catalyst in chemical reactions. The most significant advantage of radiation chemistry lies in its ability to be used in the production and study of almost any reactive atomic and molecular species playing a part in chemical reaction, synthesis, industrial processes, or in biological systems. Over the the last few years a number of meetings have taken place, under the auspices of the IAEA, in order to evaluate recent developments in radiation chemistry as well as the trends indicated by the results obtained. Radiation chemists from different countries have participated at these meetings. The present publication, a companion to the previous publication - New Trends and Development in Radiation Chemistry, IAEA-TECDOC-527 (1989) - includes some of the important contributions presented at these meetings. It is hoped that it will provide a useful overview of current activities and of emerging trends in this field, thus promoting better understanding of potential contributions of radiation chemistry to other fields of knowledge as well as to practical applications in industry, medicine and agriculture. Refs, figs and tabs.

Advanced radiation chemistry research: Current status

International Nuclear Information System (INIS)

1995-10-01

Radiation chemistry is a branch of chemistry that studies chemical transformations in materials exposed to high-energy radiations. It is based on the use of ionizing radiation as the initiator or catalyst in chemical reactions. The most significant advantage of radiation chemistry lies in its ability to be used in the production and study of almost any reactive atomic and molecular species playing a part in chemical reaction, synthesis, industrial processes, or in biological systems. Over the the last few years a number of meetings have taken place, under the auspices of the IAEA, in order to evaluate recent developments in radiation chemistry as well as the trends indicated by the results obtained. Radiation chemists from different countries have participated at these meetings. The present publication, a companion to the previous publication - New Trends and Development in Radiation Chemistry, IAEA-TECDOC-527 (1989) - includes some of the important contributions presented at these meetings. It is hoped that it will provide a useful overview of current activities and of emerging trends in this field, thus promoting better understanding of potential contributions of radiation chemistry to other fields of knowledge as well as to practical applications in industry, medicine and agriculture. Refs, figs and tabs

Preliminary Evaluation of Influence of Aerosols on the Simulation of Brightness Temperature in the NASA's Goddard Earth Observing System Atmospheric Data Assimilation System

Science.gov (United States)

Kim, Jong; Akella, Santha; da Silva, Arlindo M.; Todling, Ricardo; McCarty, William

2018-01-01

This document reports on preliminary results obtained when studying the impact of aerosols on the calculation of brightness temperature (BT) for satellite infrared (IR) instruments that are currently assimilated in a 3DVAR configuration of Goddard Earth Observing System (GEOS)-atmospheric data assimilation system (ADAS). A set of fifteen aerosol species simulated by the Goddard Chemistry Aerosol Radiation and Transport (GOCART) model is used to evaluate the influence of the aerosol fields on the Community Radiative Transfer Model (CRTM) calculations taking place in the observation operators of the Gridpoint Statistical Interpolation (GSI) analysis system of GEOSADAS. Results indicate that taking aerosols into account in the BT calculation improves the fit to observations over regions with significant amounts of dust. The cooling effect obtained with the aerosol-affected BT leads to a slight warming of the analyzed surface temperature (by about 0:5oK) in the tropical Atlantic ocean (off northwest Africa), whereas the effect on the air temperature aloft is negligible. In addition, this study identifies a few technical issues to be addressed in future work if aerosol-affected BT are to be implemented in reanalysis and operational settings. The computational cost of applying CRTM aerosol absorption and scattering options is too high to justify their use, given the size of the benefits obtained. Furthermore, the differentiation between clouds and aerosols in GSI cloud detection procedures needs satisfactory revision.

Using advanced surface complexation models for modelling soil chemistry under forests: Solling forest, Germany

Energy Technology Data Exchange (ETDEWEB)

Bonten, Luc T.C., E-mail: luc.bonten@wur.nl [Alterra-Wageningen UR, Soil Science Centre, P.O. Box 47, 6700 AA Wageningen (Netherlands); Groenenberg, Jan E. [Alterra-Wageningen UR, Soil Science Centre, P.O. Box 47, 6700 AA Wageningen (Netherlands); Meesenburg, Henning [Northwest German Forest Research Station, Abt. Umweltkontrolle, Sachgebiet Intensives Umweltmonitoring, Goettingen (Germany); Vries, Wim de [Alterra-Wageningen UR, Soil Science Centre, P.O. Box 47, 6700 AA Wageningen (Netherlands)

2011-10-15

Various dynamic soil chemistry models have been developed to gain insight into impacts of atmospheric deposition of sulphur, nitrogen and other elements on soil and soil solution chemistry. Sorption parameters for anions and cations are generally calibrated for each site, which hampers extrapolation in space and time. On the other hand, recently developed surface complexation models (SCMs) have been successful in predicting ion sorption for static systems using generic parameter sets. This study reports the inclusion of an assemblage of these SCMs in the dynamic soil chemistry model SMARTml and applies this model to a spruce forest site in Solling Germany. Parameters for SCMs were taken from generic datasets and not calibrated. Nevertheless, modelling results for major elements matched observations well. Further, trace metals were included in the model, also using the existing framework of SCMs. The model predicted sorption for most trace elements well. - Highlights: > Surface complexation models can be well applied in field studies. > Soil chemistry under a forest site is adequately modelled using generic parameters. > The model is easily extended with extra elements within the existing framework. > Surface complexation models can show the linkages between major soil chemistry and trace element behaviour. - Surface complexation models with generic parameters make calibration of sorption superfluous in dynamic modelling of deposition impacts on soil chemistry under nature areas.

Using advanced surface complexation models for modelling soil chemistry under forests: Solling forest, Germany

International Nuclear Information System (INIS)

Bonten, Luc T.C.; Groenenberg, Jan E.; Meesenburg, Henning; Vries, Wim de

2011-01-01

Various dynamic soil chemistry models have been developed to gain insight into impacts of atmospheric deposition of sulphur, nitrogen and other elements on soil and soil solution chemistry. Sorption parameters for anions and cations are generally calibrated for each site, which hampers extrapolation in space and time. On the other hand, recently developed surface complexation models (SCMs) have been successful in predicting ion sorption for static systems using generic parameter sets. This study reports the inclusion of an assemblage of these SCMs in the dynamic soil chemistry model SMARTml and applies this model to a spruce forest site in Solling Germany. Parameters for SCMs were taken from generic datasets and not calibrated. Nevertheless, modelling results for major elements matched observations well. Further, trace metals were included in the model, also using the existing framework of SCMs. The model predicted sorption for most trace elements well. - Highlights: → Surface complexation models can be well applied in field studies. → Soil chemistry under a forest site is adequately modelled using generic parameters. → The model is easily extended with extra elements within the existing framework. → Surface complexation models can show the linkages between major soil chemistry and trace element behaviour. - Surface complexation models with generic parameters make calibration of sorption superfluous in dynamic modelling of deposition impacts on soil chemistry under nature areas.

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

International Nuclear Information System (INIS)

Ryan, R.R.

1982-05-01

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

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

Energy Technology Data Exchange (ETDEWEB)

Ryan, R.R. (comp.)

1982-05-01

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

Physics and Chemistry of Star and Planet Formation in the Alma ERA

Science.gov (United States)

Bergin, Edwin

2014-06-01

ALMA will open up new avenues of exploration encompassing the wide range of star formation in our galaxy and peering into the central heart of planet-forming circumstellar disks. As we seek to explore the origins of stars and planets molecular emission will be at the front and center of many studies probing gas physics and chemistry. In this talk I will discus some of the areas where we can expect significant advances due to the increased sensitivity and superb spatial resolution of ALMA. In star-forming cores, a rich chemistry is revealed that may be the simpler molecular precursors to more complex organics, such as amino acids, seen within primitive rocks in our own solar system. ALMA will provide new information regarding the relative spatial distribution within a given source for a host of organics, sampling tens to hundreds of transitions of a variety of molecules, including presumably new ones. In this area there is a rich synergy with existing ground and space-based data, including Herschel/Spitzer. Here the increased sampling of sources to be enabled by ALMA should bring greater clarity toward the key products of interstellar chemistry and further constrain processes. On smaller Solar System scales, for over a decade most observations of planet-forming disks focused on the dust thermal continuum emission as a probe of the gas content and structure. ALMA will enable reliable and direct studies of gas to explore the evolving physics of planet-formation, the gas dissipation timescales (i.e. the upper limit to the timescale for giant planet birth), and also the chemistry. It is this chemistry that sets the composition of gas giants and also influences the ultimate composition of water and organic materials that are delivered to terrestrial worlds. Here I will show how we can use molecular emission to determine the gas thermal structure of a disk system and the total gas content - key astrophysical quantities. This will also enable more constrained chemical

Carbohydrates in Supramolecular Chemistry.

Science.gov (United States)

Delbianco, Martina; Bharate, Priya; Varela-Aramburu, Silvia; Seeberger, Peter H

2016-02-24

Carbohydrates are involved in a variety of biological processes. The ability of sugars to form a large number of hydrogen bonds has made them important components for supramolecular chemistry. We discuss recent advances in the use of carbohydrates in supramolecular chemistry and reveal that carbohydrates are useful building blocks for the stabilization of complex architectures. Systems are presented according to the scaffold that supports the glyco-conjugate: organic macrocycles, dendrimers, nanomaterials, and polymers are considered. Glyco-conjugates can form host-guest complexes, and can self-assemble by using carbohydrate-carbohydrate interactions and other weak interactions such as π-π interactions. Finally, complex supramolecular architectures based on carbohydrate-protein interactions are discussed.

Nitrogen Compounds in Radiation Chemistry

International Nuclear Information System (INIS)

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

2009-01-01

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

Fundamentals of nuclear chemistry

International Nuclear Information System (INIS)

Majer, V.

1982-01-01

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

Chemistry of primitive solar material. [nebular hypothesis of planetary systems formation

Science.gov (United States)

Barshay, S. S.; Lewis, J. S.

1976-01-01

The paper reviews chemical processes that occurred in the cooler outer regions of the primitive solar nebula (PSN) at the time of intimate chemical contact between the preplanetary condensate and the nebular gas. The elemental composition of the PSN is discussed, the 15 most abundant elements in it are listed, and numerical models of it are examined. Various condensation models are described and tested against observed properties of the planets, their satellites, and the asteroids. The chemistry of abundant volatile elements in the PSN is investigated along with stability limits of graphite in a solar-composition gas, regions of dominance of the most abundant carbon-containing gas species in the same gas, and implications of the moon's composition for its origin. Some theories that have been proposed as alternatives to the condensation models are noted.

Modeling emissions for three-dimensional atmospheric chemistry transport models.

Science.gov (United States)

Matthias, Volker; Arndt, Jan A; Aulinger, Armin; Bieser, Johannes; Denier Van Der Gon, Hugo; Kranenburg, Richard; Kuenen, Jeroen; Neumann, Daniel; Pouliot, George; Quante, Markus

2018-01-24

Poor air quality is still a threat for human health in many parts of the world. In order to assess measures for emission reductions and improved air quality, three-dimensional atmospheric chemistry transport modeling systems are used in numerous research institutions and public authorities. These models need accurate emission data in appropriate spatial and temporal resolution as input. This paper reviews the most widely used emission inventories on global and regional scale and looks into the methods used to make the inventory data model ready. Shortcomings of using standard temporal profiles for each emission sector are discussed and new methods to improve the spatio-temporal distribution of the emissions are presented. These methods are often neither top-down nor bottom-up approaches but can be seen as hybrid methods that use detailed information about the emission process to derive spatially varying temporal emission profiles. These profiles are subsequently used to distribute bulk emissions like national totals on appropriate grids. The wide area of natural emissions is also summarized and the calculation methods are described. Almost all types of natural emissions depend on meteorological information, which is why they are highly variable in time and space and frequently calculated within the chemistry transport models themselves. The paper closes with an outlook for new ways to improve model ready emission data, for example by using external databases about road traffic flow or satellite data to determine actual land use or leaf area. In a world where emission patterns change rapidly, it seems appropriate to use new types of statistical and observational data to create detailed emission data sets and keep emission inventories up-to-date. Emission data is probably the most important input for chemistry transport model (CTM) systems. It needs to be provided in high temporal and spatial resolution and on a grid that is in agreement with the CTM grid. Simple

Progress report 1981-1982. Reactor Chemistry Department

International Nuclear Information System (INIS)

1983-08-01

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

Scientific Information Analysis of Chemistry Dissertations Using Thesaurus of Chemistry

Directory of Open Access Journals (Sweden)

Taghi Rajabi

2017-09-01

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

Hyakutake, Hale-Bopp and the chemistry of comets

International Nuclear Information System (INIS)

Bachiller, R.; Planesas, P.

1997-01-01

Comets can be regarded as messengers from the primitive solar system which can provide precious pieces of information on the composition of the protosolar nebula. Physical and chemical phenomena within comets (shock waves, photodissociation caused by solar radiation, some endothermic chemical reactions, etc) are of the highest interest and cannot be reproduced at terrestrial laboratories in many cases. The passage of Hyakutake in 1996 and that of Hale-Bopp in 1997 are allowing remarkable progress in the understanding of the physico-chemistry of comets. Observations of such comets can be crucial in the study of the origin of life on Earth. (Author)

Observations of biogenic isoprene emissions and atmospheric chemistry components at the Savé super site in Benin, West Africa, during the DACCIWA field campaign.

Science.gov (United States)

Jambert, Corinne; Pacifico, Federica; Delon, Claire; Lohou, Fabienne; Reinares Martinez, Irene; Brilouet, Pierre-Etienne; Derrien, Solene; Dione, Cheikh; Brosse, Fabien; Gabella, Omar; Pedruzzo Bagazgoitia, Xavier; Durand, Pierre

2017-04-01

Tropospheric oxidation of VOCs (Volatile Organic Compounds), including isoprene, in the presence of NOx and sunlight leads to the formation of O3 and Secondary Organic Aerosols (SOA). Changes in NO or VOCs sources will consequently modify their atmospheric concentrations and thus, the rate of O3 production and SOA formation. NOx have also an impact on the abundance of the hydroxyl radical (OH) which determines the lifetime of some pollutants and greenhouse gases. Anthropogenic emissions of pollutants from mega cities located on the Guinean coast in South West Africa are likely to increase in the next decades due to a strong anthropogenic pressure and to land use changes at the regional or continental scale. The consequences on regional air quality and on pollutant deposition onto surfaces may have some harmful effects on human and ecosystem health. Furthermore, the regional climate and water cycle are affected by changes in atmospheric chemistry. When transported northward on the African continent, polluted air masses meet biogenic emissions from rural areas which contributes to increase ozone and SOA production, in high temperature and solar radiation conditions, highly favourable to enhanced photochemistry. During the Dynamics-aerosol-chemistry-cloud interactions in West Africa (DACCIWA) field campaign, we measured the atmospheric chemical composition and the exchanges of trace components in a hinterland area of Benin, at the Savé super-site (8°02'03" N, 2°29'11″ E). The observations, monitored in June and July 2016, in a rural mixed agricultural area, include near surface concentrations of ozone (O3), carbon monoxide (CO), nitrogen oxides (NOx) and isoprene, isoprene fluxes and meteorological parameters. We observed hourly average concentrations of O3 up to 50 ppb, low NOx concentrations (ca. 1 ppb and CO concentrations between 75 and 300 ppb. An 8 m tower was equipped with a Fast Isoprene Sensor and sonic anemometer to measure isoprene concentrations and

Collections for terminology in chemistry

International Nuclear Information System (INIS)

1974-08-01

This book describes terminology in chemistry, which is divided into seven chapters. The contents of this book are element name, names of an inorganic compound such as ion and radical and polyacid, an organic compound on general principle and names, general terminology 1 and 2, unit and description method on summary, unit and the symbol for unit, number and pH, Korean mark for people's name in chemistry, names of JUPAC organic compound of summary, hydrocarbons, fused polycyclic hydrocarbons, bridged hydrocarbons, cyclic hydrocarbons with side chains, terpenes hydrocarbons, fundamental heterocyclic systems and heterocyclic spiro compounds.

Let's Face(book) It: Analyzing Interactions in Social Network Groups for Chemistry Learning

Science.gov (United States)

Rap, Shelley; Blonder, Ron

2016-02-01

We examined how social network (SN) groups contribute to the learning of chemistry. The main goal was to determine whether chemistry learning could occur in the group discourse. The emphasis was on groups of students in the 11th and 12th grades who learn chemistry in preparation for their final external examination. A total of 1118 discourse events were tallied in the different groups. We analyzed the different events that were found in chemistry learning Facebook groups (CLFGs). The analysis revealed that seven types of interactions were observed in the CLFGs: The most common interaction (47 %) dealt with organizing learning (e.g., announcements regarding homework, the location of the next class); learning interactions were observed in 22 % of the posts, and links to learning materials and social interactions constituted about 20 % each. The learning events that were ascertained underwent a deeper examination and three different types of chemistry learning interactions were identified. This examination was based on the theoretical framework of the commognitive approach to learning (Sfard in Thinking as communicating. Cambridge University Press, Cambridge, 2008), which will be explained. The identified learning interactions that were observed in the Facebook groups illustrate the potential of SNs to serve as an additional tool for teachers to advance their students' learning of chemistry.

Antiparallel Dynamic Covalent Chemistries

NARCIS (Netherlands)

Matysiak, Bartosz M.; Nowak, Piotr; Cvrtila, Ivica; Pappas, Charalampos G.; Liu, Bin; Komaromy, David; Otto, Sijbren

2017-01-01

The ability to design reaction networks with high, but addressable complexity is a necessary prerequisite to make advanced functional chemical systems. Dynamic combinatorial chemistry has, proven to be a useful tool in achieving complexity, however with some limitations in controlling it. Herein we

Protostellar accretion traced with chemistry

DEFF Research Database (Denmark)

Frimann, Søren; Jørgensen, Jes Kristian; Padoan, Paolo

2016-01-01

used foranalysing the observations. Methods: Simple freeze-out andsublimation chemistry is added to the simulation, and syntheticC18O line cubes are created for a large number of simulatedprotostars. The spatial extent of C18O is measured for thesimulated protostars and compared directly to a sample...

EXPERIENCE OF USING THE “ANTI-PLAGIARISM. HIGHER SCHOOL INSTITUTION” SYSTEM IN THE COURSE OF CHEMISTRY FOR STUDENTS OF ENGINEERING ACADEMY RUDN

Directory of Open Access Journals (Sweden)

Елена Юрьевна Невская

2017-12-01

Full Text Available When checking the written work of students each teacher faced with the problem of determining the originality of the work. At the department of General Chemistry RUDN University the system “Anti-plagiarism. Higher School Institution” is used for this purpose. Using this system when checking the work for borrowings from online sources, saves the teacher the routine of searching for matching blocks. In addition, the using of this system is aimed at improving the implementation of a culture of scientific citation, without which no research project in chemistry can be done, is aimed at increasing the level of scientific educational process of the students.

Artificial Intelligence Support for Computational Chemistry

Science.gov (United States)

Duch, Wlodzislaw

Possible forms of artificial intelligence (AI) support for quantum chemistry are discussed. Questions addressed include: what kind of support is desirable, what kind of support is feasible, what can we expect in the coming years. Advantages and disadvantages of current AI techniques are presented and it is argued that at present the memory-based systems are the most effective for large scale applications. Such systems may be used to predict the accuracy of calculations and to select the least expensive methods and basis sets belonging to the same accuracy class. Advantages of the Feature Space Mapping as an improvement on the memory based systems are outlined and some results obtained in classification problems given. Relevance of such classification systems to computational chemistry is illustrated with two examples showing similarity of results obtained by different methods that take electron correlation into account.

PanEurasian Experiment (PEEX): Modelling Platform for Earth System Observations and Forecasting

Science.gov (United States)

Baklanov, Alexander; Mahura, Alexander; Penenko, Vladimir; Zilitinkevich, Sergej; Kulmala, Markku

2014-05-01

As the part of the PEEX initiative, for the purpose of supporting the PEEX observational system and answering on the PEEX scientific questions, a hierarchy/ framework of modern multi-scale models for different elements of the Earth System integrated with the observation system is needed. One of the acute topics in the international debate on land-atmosphere interactions in relation to global change is the Earth System Modeling (ESM). The question is whether the ESM components actually represent how the Earth is functioning. The ESMs consist of equations describing the processes in the atmosphere, ocean, cryosphere, terrestrial and marine biosphere. ESMs are the best tools for analyzing the effect of different environmental changes on future climate or for studying the role of whole processes in the Earth System. These types of analysis and prediction of the future change are especially important in the Arctic latitudes, where climate change is proceeding fastest and where near-surface warming has been about twice the global average during the recent decades. The processes, and hence parameterization, in ESMs are still based on insufficient knowledge of physical, chemical and biological mechanisms involved in the climate system and the resolution of known processes is insufficient. Global scale modeling of land-atmosphere-ocean interactions using ESMs provides a way to explore the influence of spatial and temporal variation in the activities of land system and on climate. There is a lack, however, ways to forward a necessary process understanding effectively to ESMs and to link all this to the decision-making process. Arctic-boreal geographical domain plays significant role in terms of green-house gases and anthropogenic emissions and as an aerosol source area in the Earth System. The PEEX Modelling Platform (PEEX-MP) is characterized by: • An ensemble approach with the integration of modelling results from different models/ countries etc.; • A hierarchy of

Chemistry evaluation in French EDF Nuclear Power Plants

International Nuclear Information System (INIS)

Jacquier, Hervé

2014-01-01

be made in the field of chemistry on French nuclear sites. The principal points of progress relate to the taking into account by the site management of the issues associated with plant chemistry, the implementation of chemistry engineering on site, working with the national engineering units. In the technical field, progress has been observed on the optimization of secondary chemistry and the limitation of pollution of the steam generators. Progress has also been observed on the maintenance of the primary circuit pH despite the operational variations of the units. On several sites the preservation of the plant during outages is improving as is the state of the demineralization plants. The state of the laboratories is improving and the monitoring of the maintenance and the calibration of the laboratory apparatus is reinforced. The evaluations by Nuclear Inspection are currently focused on the reinforcement of technical checks, management observations of the chemists when carrying out analyses and the management of the rules of use for chemical products on site. (author)

Predicting steam generator crevice chemistry

International Nuclear Information System (INIS)

Burton, G.; Strati, G.

2006-01-01

'Full text:' Corrosion of steam cycle components produces insoluble material, mostly iron oxides, that are transported to the steam generator (SG) via the feedwater and deposited on internal surfaces such as the tubes, tube support plates and the tubesheet. The build up of these corrosion products over time can lead to regions of restricted flow with water chemistry that may be significantly different, and potentially more corrosive to SG tube material, than the bulk steam generator water chemistry. The aim of the present work is to predict SG crevice chemistry using experimentation and modelling as part of AECL's overall strategy for steam generator life management. Hideout-return experiments are performed under CANDU steam generator conditions to assess the accumulation of impurities in hideout, and return from, model crevices. The results are used to validate the ChemSolv model that predicts steam generator crevice impurity concentrations, and high temperature pH, based on process parameters (e.g., heat flux, primary side temperature) and blowdown water chemistry. The model has been incorporated into ChemAND, AECL's system health monitoring software for chemistry monitoring, analysis and diagnostics that has been installed at two domestic and one international CANDU station. ChemAND provides the station chemists with the only method to predict SG crevice chemistry. In one recent application, the software has been used to evaluate the crevice chemistry based on the elevated, but balanced, SG bulk water impurity concentrations present during reactor startup, in order to reduce hold times. The present paper will describe recent hideout-return experiments that are used for the validation of the ChemSolv model, station experience using the software, and improvements to predict the crevice electrochemical potential that will permit station staff to ensure that the SG tubes are in the 'safe operating zone' predicted by Lu (AECL). (author)

Chemistry

International Nuclear Information System (INIS)

Ferris, L.M.

1976-01-01

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

Advances in computational actinide chemistry in China

Energy Technology Data Exchange (ETDEWEB)

Wang, Dongqi; Wu, Jingyi; Chai, Zhifang [Chinese Academy of Sciences, Beijing (China). Multidisciplinary Initiative Center; Su, Jing [Chinese Academy of Sciences, Shanghai (China). Div. of Nuclear Materials Science and Engineering; Li, Jun [Tsinghua Univ., Beijing (China). Dept. of Chemistry and Laboratory of Organic Optoelectronics and Molecular Engineering

2014-04-01

The advances in computational actinide chemistry made in China are reviewed. Several areas relevant to chemistry of actinides in gas, liquid, and solid phases have been explored. However, we limit the scope to selected contributions in the chemistry of molecular actinide systems in gas and liquid phases. These studies may be classified into two categories: treatment of relativistic effects, which cover the development of two- and four-component Hamiltonians and the optimization of relativistic pseudopotentials, and the applications of theoretical methods in actinide chemistry. The applications include (1) the electronic structures of actinocene, noble gas complexes, An-C multiple bonding compounds, uranyl and its isoelectronic species, fluorides and oxides, molecular systems with metal-metal bonding in their isolated forms (U{sub 2}, Pu{sub 2}) and in fullerene (U{sub 2} rate at C{sub 60}), and the excited states of actinide complexes; (2) chemical reactions, including oxidation, hydrolysis of UF{sub 6}, ligand exchange, reactivities of thorium oxo and sulfido metallocenes, CO{sub 2}/CS{sub 2} functionalization promoted by trivalent uranium complex; and (3) migration of actinides in the environment. A future outlook is discussed. (orig.)

Primordial chemistry: an overview

International Nuclear Information System (INIS)

Signore, Monique; Puy, Denis

1999-01-01

In the standard Big Bang model, the light elements in the cosmos -hydrogen and helium but also deuterium and lithium- were created in the very early Universe. The main problem is to connect what we can actually observe to day with the standard Big Bang nucleosynthesis predictions essentially because of uncertainties in modeling their evolution since the Big Bang. After a brief review of the primordial nucleosynthesis -predictions and observations of the primordial abundances- we present the preliminary studies of the primordial chemistry: molecular formation and evolution in the early Universe

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

Science.gov (United States)

Ojima, Iwao

2013-07-05

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

Millimeter wave studies of circumstellar chemistry

Science.gov (United States)

Tenenbaum, Emily Dale

2010-06-01

Millimeter wave studies of molecules in circumstellar envelopes and a planetary nebula have been conducted. Using the Submillimeter Telescope (SMT) of the Arizona Radio Observatory (ARO) on Mt. Graham, a comparative spectral survey from 215-285 GHz was carried out of the carbon-rich asymptotic giant branch star IRC +10216 and the oxygen-rich supergiant VY Canis Majoris. A total of 858 emission lines were observed in both objects, arising from 40 different molecules. In VY Canis Majoris, AlO, AlOH, and PO were detected for the first time in interstellar space. In IRC +10216, PH3 was detected for the first time beyond the solar system, and C3O, and CH2NH were found for the first time in a circumstellar envelope. Additionally, in the evolved planetary nebula, the Helix, H2CO, C2H, and cyclic-C3H2 were observed using the SMT and the Kitt Peak 12 m telescopes. The presence of these three molecules in the Helix suggests that relatively complex chemistry occurs in planetary nebulae, despite the harsh ultraviolet field. Overall, the research on molecules in circumstellar and planetary nebulae furthers our understanding of the nature of the material that is fed back into the interstellar medium from evolved stars. Besides telescope work, laboratory research was also conducted -- the rotational spectrum of ZnCl was measured and its bond length and rotational constants were determined. Lastly, in partial fulfillment of a graduate certificate in entrepreneurial chemistry, the commercial applications of terahertz spectroscopy were explored through literature research.

Nuclear chemistry

International Nuclear Information System (INIS)

Vertes, A.; Kiss, I.

1987-01-01

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

Nuclear chemistry

International Nuclear Information System (INIS)

Vertes, A.; Kiss, I.

1987-01-01

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

Emphasizing the process of science using demonstrations in conceptual chemistry

Science.gov (United States)

Lutz, Courtney A.

The purpose of this project was to teach students a method for employing the process of science in a conceptual chemistry classroom when observing a demonstration of a discrepant event. Students observed six demonstrations throughout a trimester study of chemistry and responded to each demonstration by asking as many questions as they could think of, choosing one testable question to answer by making as many hypotheses as possible, and choosing one hypothesis to make predictions about observed results of this hypothesis when tested. Students were evaluated on their curiosity, confidence, knowledge of the process of science, and knowledge of the nature of science before and after the six demonstrations. Many students showed improvement in using or mastery of the process of science within the context of conceptual chemistry after six intensive experiences with it. Results of the study also showed students gained confidence in their scientific abilities after completing one trimester of conceptual chemistry. Curiosity and knowledge of the nature of science did not show statistically significant improvement according to the assessment tool. This may have been due to the scope of the demonstration and response activities, which focused on the process of science methodology instead of knowledge of the nature of science or the constraints of the assessment tool.

Modeling of gas-phase chemistry in the chemical vapor deposition of polysilicon in a cold wall system

Energy Technology Data Exchange (ETDEWEB)

Toprac, A.J.; Edgar, T.F.; Trachtenberg, I. (Univ. of Texas, Austin, TX (United States). Dept. of Chemical Engineering)

1993-06-01

The relative contribution of gas-phase chemistry to deposition processes is an important issue both from the standpoint of operation and modeling of these processes. In polysilicon deposition from thermally activated silane in a cold wall rapid thermal chemical vapor deposition (RTCVD) system, the relative contribution of gas-phase chemistry to the overall deposition rate was examined by a mass-balance model. Evaluating the process at conditions examined experimentally, the model indicated that gas-phase reactions may be neglected to good accuracy in predicting polysilicon deposition rate. The model also provided estimates of the level of gas-phase generated SiH[sub 2] associated with deposition on the cold-process chamber walls.

IMOS National Reference Stations: A Continental-Wide Physical, Chemical and Biological Coastal Observing System

Science.gov (United States)

Lynch, Tim P.; Morello, Elisabetta B.; Evans, Karen; Richardson, Anthony J.; Rochester, Wayne; Steinberg, Craig R.; Roughan, Moninya; Thompson, Peter; Middleton, John F.; Feng, Ming; Sherrington, Robert; Brando, Vittorio; Tilbrook, Bronte; Ridgway, Ken; Allen, Simon; Doherty, Peter; Hill, Katherine; Moltmann, Tim C.

2014-01-01

Sustained observations allow for the tracking of change in oceanography and ecosystems, however, these are rare, particularly for the Southern Hemisphere. To address this in part, the Australian Integrated Marine Observing System (IMOS) implemented a network of nine National Reference Stations (NRS). The network builds on one long-term location, where monthly water sampling has been sustained since the 1940s and two others that commenced in the 1950s. In-situ continuously moored sensors and an enhanced monthly water sampling regime now collect more than 50 data streams. Building on sampling for temperature, salinity and nutrients, the network now observes dissolved oxygen, carbon, turbidity, currents, chlorophyll a and both phytoplankton and zooplankton. Additional parameters for studies of ocean acidification and bio-optics are collected at a sub-set of sites and all data is made freely and publically available. Our preliminary results demonstrate increased utility to observe extreme events, such as marine heat waves and coastal flooding; rare events, such as plankton blooms; and have, for the first time, allowed for consistent continental scale sampling and analysis of coastal zooplankton and phytoplankton communities. Independent water sampling allows for cross validation of the deployed sensors for quality control of data that now continuously tracks daily, seasonal and annual variation. The NRS will provide multi-decadal time series, against which more spatially replicated short-term studies can be referenced, models and remote sensing products validated, and improvements made to our understanding of how large-scale, long-term change and variability in the global ocean are affecting Australia's coastal seas and ecosystems. The NRS network provides an example of how a continental scaled observing systems can be developed to collect observations that integrate across physics, chemistry and biology. PMID:25517905

IMOS National Reference Stations: a continental-wide physical, chemical and biological coastal observing system.

Directory of Open Access Journals (Sweden)

Tim P Lynch

Full Text Available Sustained observations allow for the tracking of change in oceanography and ecosystems, however, these are rare, particularly for the Southern Hemisphere. To address this in part, the Australian Integrated Marine Observing System (IMOS implemented a network of nine National Reference Stations (NRS. The network builds on one long-term location, where monthly water sampling has been sustained since the 1940s and two others that commenced in the 1950s. In-situ continuously moored sensors and an enhanced monthly water sampling regime now collect more than 50 data streams. Building on sampling for temperature, salinity and nutrients, the network now observes dissolved oxygen, carbon, turbidity, currents, chlorophyll a and both phytoplankton and zooplankton. Additional parameters for studies of ocean acidification and bio-optics are collected at a sub-set of sites and all data is made freely and publically available. Our preliminary results demonstrate increased utility to observe extreme events, such as marine heat waves and coastal flooding; rare events, such as plankton blooms; and have, for the first time, allowed for consistent continental scale sampling and analysis of coastal zooplankton and phytoplankton communities. Independent water sampling allows for cross validation of the deployed sensors for quality control of data that now continuously tracks daily, seasonal and annual variation. The NRS will provide multi-decadal time series, against which more spatially replicated short-term studies can be referenced, models and remote sensing products validated, and improvements made to our understanding of how large-scale, long-term change and variability in the global ocean are affecting Australia's coastal seas and ecosystems. The NRS network provides an example of how a continental scaled observing systems can be developed to collect observations that integrate across physics, chemistry and biology.

the systemic approach to teaching and learning heterocyclic chemistry

African Journals Online (AJOL)

Preferred Customer

After the wide spread use of systematization in various activities including, tourism, ... Fahmy and Lagowski (3) suggested an educational process based on the ... we believe that they will doubly benefit by learning chemistry and learning to ...

Surface chemistry and size influence the release of model therapeutic nanoparticles from poly(ethylene glycol) hydrogels

International Nuclear Information System (INIS)

Hume, Stephanie L.; Jeerage, Kavita M.

2013-01-01

Nanoparticles have emerged as promising therapeutic and diagnostic tools, due to their unique physicochemical properties. The specific core and surface chemistries, as well as nanoparticle size, play critical roles in particle transport and interaction with biological tissue. Localized delivery of therapeutics from hydrogels is well established, but these systems generally release molecules with hydrodynamic radii less than ∼5 nm. Here, model nanoparticles with biologically relevant surface chemistries and diameters between 10 and 35 nm are analyzed for their release from well-characterized hydrogels. Functionalized gold nanoparticles or quantum dots were encapsulated in three-dimensional poly(ethylene glycol) hydrogels with varying mesh size. Nanoparticle size, surface chemistry, and hydrogel mesh size all influenced the release of particles from the hydrogel matrix. Size influenced nanoparticle release as expected, with larger particles releasing at a slower rate. However, citrate-stabilized gold nanoparticles were not released from hydrogels. Negatively charged carboxyl or positively charged amine-functionalized quantum dots were released from hydrogels at slower rates than neutrally charged PEGylated nanoparticles of similar size. Transmission electron microscopy images of gold nanoparticles embedded within hydrogel sections demonstrated uniform particle distribution and negligible aggregation, independent of surface chemistry. The nanoparticle-hydrogel interactions observed in this work will aid in the development of localized nanoparticle delivery systems.

Analytical Chemistry as Methodology in Modern Pure and Applied Chemistry

OpenAIRE

Honjo, Takaharu

2001-01-01

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

Fundamentals of nuclear chemistry

International Nuclear Information System (INIS)

Majer, K.

1982-01-01

The textbook is a Czech-to-German translation of the second revised edition and covers the subject under the headings: general nuclear chemistry, methods of nuclear chemistry, preparative nuclear chemistry, analytical nuclear chemistry, and applied chemistry. The book is especially directed to students

Near-infrared laboratory spectroscopy of mineral chemistry: A review

Science.gov (United States)

Meer, Freek van der

2018-03-01

Spectroscopy is the science concerned with the investigation and measurement of spectra produced when materials interacts with or emits electromagnetic radiation. Commercial infrared spectrometer were designed from the 1950's onward and found their way into the pharmaceutical and chemical industries. In the 1970's and 1980's also natural sciences notably mineralogy and vegetation science started systematically to measure optical properties of leaves and minerals/rocks with spectrometers. In the last decade spectroscopy has made the step from qualitative observations of mineral classes, soil type and vegetation biomass to quantitative estimates of mineral, soil and vegetation chemistry. This resulted in geothermometers used to characterize metamorphic and hydrothermal systems and to the advent of foliar biochemistry. More research is still needed to bridge the gap between laboratory spectroscopy and field spectroscopy. Empirical studies of minerals either as soil or rock constituents (and vegetation parameters) derived from regression analysis of spectra against chemistry is important in understanding the physics of the interaction of electromagnetic radiation and matter which in turn is important in the design of future satellite missions. Physics based models and retrievals are needed to operationalize these relationships and implement them in future earth observation missions as these are more robust and easy to transfer to other areas and data sets.

Surface chemistry essentials

CERN Document Server

Birdi, K S

2013-01-01

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

Actinide separative chemistry

International Nuclear Information System (INIS)

Boullis, B.

2004-01-01

Actinide separative chemistry has focused very heavy work during the last decades. The main was nuclear spent fuel reprocessing: solvent extraction processes appeared quickly a suitable, an efficient way to recover major actinides (uranium and plutonium), and an extensive research, concerning both process chemistry and chemical engineering technologies, allowed the industrial development in this field. We can observe for about half a century a succession of Purex plants which, if based on the same initial discovery (i.e. the outstanding properties of a molecule, the famous TBP), present huge improvements at each step, for a large part due to an increased mastery of the mechanisms involved. And actinide separation should still focus R and D in the near future: there is a real, an important need for this, even if reprocessing may appear as a mature industry. We can present three main reasons for this. First, actinide recycling appear as a key-issue for future nuclear fuel cycles, both for waste management optimization and for conservation of natural resource; and the need concerns not only major actinide but also so-called minor ones, thus enlarging the scope of the investigation. Second, extraction processes are not well mastered at microscopic scale: there is a real, great lack in fundamental knowledge, useful or even necessary for process optimization (for instance, how to design the best extracting molecule, taken into account the several notifications and constraints, from selectivity to radiolytic resistivity?); and such a need for a real optimization is to be more accurate with the search of always cheaper, cleaner processes. And then, there is room too for exploratory research, on new concepts-perhaps for processing quite new fuels- which could appear attractive and justify further developments to be properly assessed: pyro-processes first, but also others, like chemistry in 'extreme' or 'unusual' conditions (supercritical solvents, sono-chemistry, could be

Observations of crud deposits, corrosion and erosion of BWR and PWR fuel

International Nuclear Information System (INIS)

Bairiot, H.

1983-01-01

The BWR experience is limited to one reactor but the PWR experience covers a wide range of successive generations of power plants (7 in total). The systems are described and their water chemistry briefly commented. Some R and D performed on the effects of the operating regimes (steady state and transients) are summarized. Observations made by pool-side inspections and postirradiation examinations of fuel are outlined concerning water chemistry effects (crud deposits and corrosion) and ''mechanical'' coolant-cladding interaction (chip deposits and baffle jetting). (author)

Operating experience with steam generator water chemistry in Japanese PWR plants

International Nuclear Information System (INIS)

Onimura, K.; Hattori, T.

1991-01-01

Since the first PWR plant in Japan started its commercial operation in 1970, seventeen plants are operating as of the end of 1990. First three units initially applied phosphate treatment as secondary water chemistry control and then changed to all volatile treatment (AVT) due to phosphate induced wastage of steam generator tubing. The other fourteen units operate exclusively under AVT. In Japan, several corrosion phenomena of steam generator tubing, resulted from secondary water chemistry, have been experienced, but occurrence of those phenomena has decreased by means of improvement on impurity management, boric acid treatment and high hydrazine operation. Recently secondary water chemistry in Japanese plants are well maintained in every stage of operation. This paper introduces brief summary of the present status of steam generators and secondary water chemistry in Japan and ongoing activities of investigation for future improvement of reliability of steam generator. History and present status of secondary water chemistry in Japanese PWRs were introduced. In order to get improved water chemistry, the integrity of secondary system equipments is essential and the improvement in water chemistry has been achieved with the improvement in equipments and their usage. As a result of those efforts, present status of secondary water is excellent. However, further development for crevice chemistry monitoring technique and an advanced water chemistry data management system is desired for the purpose of future improvement of reliability of steam generator

The New Color of Chemistry: Green Chemistry

Directory of Open Access Journals (Sweden)

Zuhal GERÇEK

2012-01-01

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

Technetium chemistry

International Nuclear Information System (INIS)

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

1996-01-01

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

Chemistry of Technetium

International Nuclear Information System (INIS)

Omori, Takashi

2001-01-01

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

Quality assurance for health and environmental chemistry: 1989

International Nuclear Information System (INIS)

Gautier, M.A.; Gladney, E.S.; Koski, N.L.; Jones, E.A.; Phillips, M.B.; O'Malley, B.T.

1990-12-01

This report documents the continuing quality assurance efforts of the Health and Environmental Chemistry Group (HSE-9) at the Los Alamos National Laboratory. The philosophy, methodology, computing resources, and laboratory information management system used by the quality assurance program to encompass the diversity of analytical chemistry practiced in the group are described. Included in the report are all quality assurance reference materials used, along with their certified or consensus concentrations, and all analytical chemistry quality assurance measurements made by HSE-9 during 1989. 38 refs., 8 figs., 3 tabs

Fission product chemistry in severe nuclear reactor accidents

International Nuclear Information System (INIS)

Nichols, A.L.

1990-09-01

A specialist's meeting was held at JRC-Ispra from 15 to 17 January 1990 to review the current understanding of fission-product chemistry during severe accidents in light water reactors. Discussions focussed on the important chemical phenomena that could occur across the wide range of conditions of a damaged nuclear plant. Recommendations for future chemistry work were made covering the following areas: (a) fuel degradation and fission-product release, (b) transport and attenuation processes in the reactor coolant system, (c) containment chemistry (iodine behaviour and core-concrete interactions)

Primary water chemistry monitoring from the point of view of radiation build-up

International Nuclear Information System (INIS)

Horvath, G.L.; Civin, V.; Pinter, T.

1997-01-01

Basic operational principles of a computer code system calculating the primary circuit corrosion product activities based on actual measured plant chemistry data are presented. The code system consists of two parts: FeSolub.prg: calculates the characteristic iron solubilities based on actual primary water chemistry (H 3 BO 3 KOH, ... etc.) and plant load (MW) data. A developed solubility calculation method has been applied fitted to magnetite solubility data of several authors; RADTRAN.exe: calculates primary circuit water and surface corrosion product activities based on results of FeSolub.prg or planned water chemistry data up to the next shutdown. The computer code system is going to be integrated into a general primary water chemistry monitoring and surveillance system. (author). 15 refs, 4 figs, 3 tabs

Primary water chemistry of VVERs-operating experience

International Nuclear Information System (INIS)

Kysela, Jan; Zmitko, Milan; Petrecky, Igor

1998-01-01

VVER units are operated in mixed boron-potassium-ammonia water chemistry. Several modifications of the water chemistry, differing in boron-potassium co-ordination and in the way how hydrogen concentration is produced and maintain in the coolant, is used. From the operational experience point of view VVER units do not show any significant problems connected with the primary coolant chemistry. The latest results indicate that dose rate levels are slowly returning to the former ones. An improvement of the radiation situation observed last two years is supported by the surface activity measurements. However, the final conclusion on the radiation situation can be made only after evaluation of the several following cycles. Further investigation is also needed to clarify a possible effect of modified water chemistry and shut-down chemistry on radioactivity build-up and dose rate level at Dukovany units. Structure materials composition has a significant effect on radiation situation in the units. It concerns mainly of cobalt content in SG material. There is no clear evidence of possible effect of the SG shut-down regimes on the radiation situation in the units even if the dose rate and surface activity data show wide spread for the individual reactor loops. (S.Y.)

Numerical Modeling of Climate-Chemistry Connections: Recent Developments and Future Challenges

Directory of Open Access Journals (Sweden)

Patrick Jöckel

2013-05-01

Full Text Available This paper reviews the current state and development of different numerical model classes that are used to simulate the global atmospheric system, particularly Earth’s climate and climate-chemistry connections. The focus is on Chemistry-Climate Models. In general, these serve to examine dynamical and chemical processes in the Earth atmosphere, their feedback, and interaction with climate. Such models have been established as helpful tools in addition to analyses of observational data. Definitions of the global model classes are given and their capabilities as well as weaknesses are discussed. Examples of scientific studies indicate how numerical exercises contribute to an improved understanding of atmospheric behavior. There, the focus is on synergistic investigations combining observations and model results. The possible future developments and challenges are presented, not only from the scientific point of view but also regarding the computer technology and respective consequences for numerical modeling of atmospheric processes. In the future, a stronger cross-linkage of subject-specific scientists is necessary, to tackle the looming challenges. It should link the specialist discipline and applied computer science.

Radical Rearrangement Chemistry in Ultraviolet Photodissociation of Iodotyrosine Systems: Insights from Metastable Dissociation, Infrared Ion Spectroscopy, and Reaction Pathway Calculations.

Science.gov (United States)

Ranka, Karnamohit; Zhao, Ning; Yu, Long; Stanton, John F; Polfer, Nicolas C

2018-05-29

We report on the ultraviolet photodissociation (UVPD) chemistry of protonated tyrosine, iodotyrosine, and diiodotyrosine. Distonic loss of the iodine creates a high-energy radical at the aromatic ring that engages in hydrogen/proton rearrangement chemistry. Based on UVPD kinetics measurements, the appearance of this radical is coincident with the UV irradiation pulse (8 ns). Conversely, sequential UVPD product ions exhibit metastable decay on ca. 100 ns timescales. Infrared ion spectroscopy is capable of confirming putative structures of the rearrangement products as proton transfers from the imine and β-carbon hydrogens. Potential energy surfaces for the various reaction pathways indicate that the rearrangement chemistry is highly complex, compatible with a cascade of rearrangements, and that there is no preferred rearrangement pathway even in small molecular systems like these. Graphical Abstract.

Sol-to-Gel Transition in Fast Evaporating Systems Observed by in Situ Time-Resolved Infrared Spectroscopy.

Science.gov (United States)

Innocenzi, Plinio; Malfatti, Luca; Carboni, Davide; Takahashi, Masahide

2015-06-22

The in situ observation of a sol-to-gel transition in fast evaporating systems is a challenging task and the lack of a suitable experimental design, which includes the chemistry and the analytical method, has limited the observations. We synthesise an acidic sol, employing only tetraethylorthosilicate, SiCl4 as catalyst and deuterated water; the absence of water added to the sol allows us to follow the absorption from the external environment and the evaporation of deuterated water. The time-resolved data, obtained by attenuated total reflection infrared spectroscopy on an evaporating droplet, enables us to identify four different stages during evaporation. They are linked to specific hydrolysis and condensation rates that affect the uptake of water from external environment. The second stage is characterized by a decrease in hydroxyl content, a fast rise of condensation rate and an almost stationary absorption of water. This stage has been associated with the sol-to-gel transition. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Annual Report of Institute of Nuclear Chemistry and Technology 1999

International Nuclear Information System (INIS)

2000-06-01

The INCT 1999 Annual Report is the review of scientific activities in all branches being developed in the Institute of Nuclear Chemistry and Technology, Warsaw. The studies are connected in general with the following fields: radiation chemistry and physics, radiation technologies, radiochemistry, stable isotopes, nuclear analytical methods, chemistry in general, radiobiology, process engineering, material engineering, structural studies and diagnostics and nucleonic control systems and accelerators

Annual Report of Institute of Nuclear Chemistry and Technology 2002

International Nuclear Information System (INIS)

2003-06-01

The INCT 2002 Annual Report is the review of scientific activities in all branches being developed in the Institute of Nuclear Chemistry and Technology, Warsaw. The studies are connected in general with the following fields: radiation chemistry and physics, radiation technologies, radiochemistry, stable isotopes, nuclear analytical methods, chemistry in general, radiobiology, process engineering, material engineering, structural studies and diagnostics, nucleonic control systems and accelerators

Annual Report of Institute of Nuclear Chemistry and Technology 2002

Energy Technology Data Exchange (ETDEWEB)

NONE

2003-06-01

The INCT 2002 Annual Report is the review of scientific activities in all branches being developed in the Institute of Nuclear Chemistry and Technology, Warsaw. The studies are connected in general with the following fields: radiation chemistry and physics, radiation technologies, radiochemistry, stable isotopes, nuclear analytical methods, chemistry in general, radiobiology, process engineering, material engineering, structural studies and diagnostics, nucleonic control systems and accelerators.

Annual Report of Institute of Nuclear Chemistry and Technology 1999

Energy Technology Data Exchange (ETDEWEB)

NONE

2000-06-01

The INCT 1999 Annual Report is the review of scientific activities in all branches being developed in the Institute of Nuclear Chemistry and Technology, Warsaw. The studies are connected in general with the following fields: radiation chemistry and physics, radiation technologies, radiochemistry, stable isotopes, nuclear analytical methods, chemistry in general, radiobiology, process engineering, material engineering, structural studies and diagnostics and nucleonic control systems and accelerators.

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

International Nuclear Information System (INIS)

Ribnikar, S.; Anic, S.

1998-01-01

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

Radiation chemistry

Energy Technology Data Exchange (ETDEWEB)

None

1973-07-01

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

Environmental chemistry. Seventh edition

Energy Technology Data Exchange (ETDEWEB)

Manahan, S.E. [Univ. of Missouri, Columbia, MO (United States)

1999-11-01

This book presents a basic understanding of environmental chemistry and its applications. In addition to providing updated materials in this field, the book emphasizes the major concepts essential to the practice of environmental chemistry. Topics of discussion include the following: toxicological chemistry; toxicological chemistry of chemical substances; chemical analysis of water and wastewater; chemical analysis of wastes and solids; air and gas analysis; chemical analysis of biological materials and xenobiotics; fundamentals of chemistry; and fundamentals of organic chemistry.

Aspects and prospects of the chemistry of organic heterocycles (review)

International Nuclear Information System (INIS)

Schroth, W.

1986-01-01

The systematics of heterocycles, their place in organic chemistry, and their significance for theory and practice are discussed. Problems of the chemistry of heterocycles are discussed on the examples of systems with various types of conjugation and ring sizes. The focus is on the principles of synthesis of heterocycles, in particular, those based on acetylene, various C 3 fragments, carbon disulfide, and maleic anhydride. Individual sections of the survey are devoted to the role of heterocycles in biosynthesis, as well as certain problems common to the chemistry of heterocycles, biochemistry, and macromolecular chemistry

Surveys of research in the Chemistry Division, Argonne National Laboratory

Energy Technology Data Exchange (ETDEWEB)

Grazis, B.M. [ed.

1992-11-01

Research reports are presented on reactive intermediates in condensed phase (radiation chemistry, photochemistry), electron transfer and energy conversion, photosynthesis and solar energy conversion, metal cluster chemistry, chemical dynamics in gas phase, photoionization-photoelectrons, characterization and reactivity of coal and coal macerals, premium coal sample program, chemical separations, heavy elements coordination chemistry, heavy elements photophysics/photochemistry, f-electron interactions, radiation chemistry of high-level wastes (gas generation in waste tanks), ultrafast molecular electronic devices, and nuclear medicine. Separate abstracts have been prepared. Accelerator activites and computer system/network services are also reported.

Surveys of research in the Chemistry Division, Argonne National Laboratory

Energy Technology Data Exchange (ETDEWEB)

Grazis, B.M. (ed.)

1992-01-01

Research reports are presented on reactive intermediates in condensed phase (radiation chemistry, photochemistry), electron transfer and energy conversion, photosynthesis and solar energy conversion, metal cluster chemistry, chemical dynamics in gas phase, photoionization-photoelectrons, characterization and reactivity of coal and coal macerals, premium coal sample program, chemical separations, heavy elements coordination chemistry, heavy elements photophysics/photochemistry, f-electron interactions, radiation chemistry of high-level wastes (gas generation in waste tanks), ultrafast molecular electronic devices, and nuclear medicine. Separate abstracts have been prepared. Accelerator activites and computer system/network services are also reported.

EPRI BWR Water Chemistry Guidelines Revision

International Nuclear Information System (INIS)

Garcia, Susan E.; Giannelli, Joseph F.

2014-01-01

BWRVIP-190: BWR Water Chemistry Guidelines – 2008 Revision has been revised. The revision committee consisted of U.S. and non-U.S. utilities (members of the BWR Vessel and Internals Protection (BWRVIP) Mitigation Committee), reactor system manufacturers, fuel suppliers, and EPRI and industry experts. The revised document, BWRVIP-190 Revision 1, was completely reformatted into two volumes, with a simplified presentation of water chemistry control, diagnostic and good practice parameters in Volume 1 and the technical bases in Volume 2, to facilitate use. The revision was developed in parallel and in coordination with preparation of the Fuel Reliability Guidelines Revision 1: BWR Fuel Cladding Crud and Corrosion. Guidance is included for plants operating under normal water chemistry (NWC), moderate hydrogen water chemistry (HWC-M), and noble metal application (GE-Hitachi NobleChem™) plus hydrogen injection. Volume 1 includes significant changes to BWR feedwater and reactor water chemistry control parameters to provide increased assurance of intergranular stress corrosion cracking (IGSCC) mitigation of reactor materials and fuel reliability during all plant conditions, including cold shutdown (≤200°F (93°C)), startup/hot standby (>200°F (93°C) and ≤ 10%) and power operation (>10% power). Action Level values for chloride and sulfate have been tightened to minimize environmentally assisted cracking (EAC) of all wetted surfaces, including those not protected by hydrogen injection, with or without noble metals. Chemistry control guidance has been enhanced to minimize shutdown radiation fields by clarifying targets for depleted zinc oxide (DZO) injection while meeting requirements for fuel reliability. Improved tabular presentations of parameter values explicitly indicate levels at which actions are to be taken and required sampling frequencies. Volume 2 provides the technical bases for BWR water chemistry control for control of EAC, flow accelerated corrosion

Chemistry and Climate in Asia - An Earth System Modeling Project

Science.gov (United States)

Barth, M. C.; Emmons, L. K.; Massie, S. T.; Pfister, G.; Romero Lankao, P.; Lamarque, J.; Carmichael, G. R.

2011-12-01

Asia is one of the most highly populated and economically dynamic regions in the world, with much of the population located in growing mega-cities. It is a region with significant emissions of greenhouse gases, aerosols and other pollutants, which pose high health risks to urban populations. Emissions of these aerosols and gases increased drastically over the last decade due to economic growth and urbanization and are expected to rise further in the near future. As such, the continent plays a role in influencing climate change via its effluent of aerosols and gaseous pollutants. Asia is also susceptible to adverse climate change through interactions between aerosols and clouds, which potentially can have serious implications for freshwater resources. We are developing an integrated inter-disciplinary program to focus on Asia, its climate, air quality, and impact on humans that will include connections with hydrology, ecosystems, extreme weather events, and human health. The primary goal of this project is to create a team to identify key scientific questions and establish networks of specialists to create a plan for future studies to address these questions. A second goal is to establish research facilities and a framework for investigating chemistry and climate over Asia. These facilities include producing high resolution Earth System Model simulations that have been evaluated with meteorological and chemical measurements, producing high-resolution emission inventories, analyzing satellite data, and analyzing the vulnerability of humans to air quality and extreme natural events. In this presentation we will describe in more detail these activities and discuss a future workshop on the impact of chemistry in climate on air quality and human health.

Teaching and learning distillation in chemistry laboratory courses

Science.gov (United States)

van Keulen, Hanno; Mulder, Theo H. M.; Goedhart, Martin J.; Verdonk, Adri H.

This study investigates the problems chemistry majors have with learning distillation in traditional chemistry laboratory courses. Using an interpretive cyclic research design, we collected and interpreted data, mainly in the form of observation notes and transcriptions of the discourse that takes place during laboratory courses. It was found that students experience numerous problems; these are described and interpreted. We summarize students' problems in four categories: (a) students use an independent component conception; (b) they have insufficient understanding of the properties of vapor; (c) they regard distillation from a physical point of view; and (d) they do not have a practical understanding of thermodynamics. The main origin of these problems was found to lie with the traditional curriculum structure. Lecture courses and textbooks treat distillation in a generalized and decontextualized way, whereas decisions in actual distillations are always based on contextual features. It was found that textbooks and teachers often do not discriminate carefully and explicitly among five different contexts for distillation: organic synthesis, chemical analysis, analytical chemistry, physical chemistry, and preparation of products. Students take the generalized concepts at face value and apply them to all distillations regardless of context. They cannot interpret their observations or make reasoned decisions based on the theoretical framework of a specific context.Received: 2 May 1994; Revised: 14 December 1994;

Uranium chemistry: significant advances

International Nuclear Information System (INIS)

Mazzanti, M.

2011-01-01

The author reviews recent progress in uranium chemistry achieved in CEA laboratories. Like its neighbors in the Mendeleev chart uranium undergoes hydrolysis, oxidation and disproportionation reactions which make the chemistry of these species in water highly complex. The study of the chemistry of uranium in an anhydrous medium has led to correlate the structural and electronic differences observed in the interaction of uranium(III) and the lanthanides(III) with nitrogen or sulfur molecules and the effectiveness of these molecules in An(III)/Ln(III) separation via liquid-liquid extraction. Recent work on the redox reactivity of trivalent uranium U(III) in an organic medium with molecules such as water or an azide ion (N 3 - ) in stoichiometric quantities, led to extremely interesting uranium aggregates particular those involved in actinide migration in the environment or in aggregation problems in the fuel processing cycle. Another significant advance was the discovery of a compound containing the uranyl ion with a degree of oxidation (V) UO 2 + , obtained by oxidation of uranium(III). Recently chemists have succeeded in blocking the disproportionation reaction of uranyl(V) and in stabilizing polymetallic complexes of uranyl(V), opening the way to to a systematic study of the reactivity and the electronic and magnetic properties of uranyl(V) compounds. (A.C.)

Phytoremediation of Nitrogen as Green Chemistry for Wastewater Treatment System

Directory of Open Access Journals (Sweden)

Lennevey Kinidi

2017-01-01

Full Text Available It is noteworthy that ammoniacal nitrogen contamination in wastewater has reportedly posed a great threat to the environment. Although there are several conventional technologies being employed to remediate ammoniacal nitrogen contamination in wastewater, they are not sustainable and cost-effective. Along this line, the present study aims to highlight the significance of green chemistry characteristics of phytoremediation in nitrogen for wastewater treatment. Notably, ammoniacal nitrogen can be found in many types of sources and it brings harmful effects to the environment. Hence, the present study also reviews the phytoremediation of nitrogen and describes its green chemistry characteristics. Additionally, the different types of wastewater contaminants and their effects on phytoremediation and the phytoremediation consideration in wastewater treatment application and sustainable waste management of harvested aquatic macrophytes were reviewed. Finally, the present study explicates the future perspectives of phytoremediation. Based on the reviews, it can be concluded that green chemistry characteristics of phytoremediation in nitrogen have proved that it is sustainable and cost-effective in relation to other existing ammoniacal nitrogen remediation technologies. Therefore, it can be deduced that a cheaper and more environmental friendly ammoniacal nitrogen technology can be achieved with the utilization of phytoremediation in wastewater treatment.

More Chemistry with Light! More Light in Chemistry!

Science.gov (United States)

Bach, Thorsten

2015-09-21

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

Medicinal Chemistry/Pharmacology in Sophomore Organic Chemistry.

Science.gov (United States)

Harrison, Aline M.

1989-01-01

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

Synergy in extraction system chemistry: combining configurational entropy, film bending and perturbation of complexation

International Nuclear Information System (INIS)

Rey, Julien

2016-01-01

Separative chemistry is a pillar of technologic development in extraction, separation and selective remediation of metals and molecules. It finds its applications in the fields of electronic, renewable energy, medicine and chemistry, which require more than ever the use of 'Strategic Metals'. The liquid-liquid extraction is a separation technique that is involved in hydrometallurgical processes for the recovery of strategic metals from primary deposits, secondary and urban mines. This work is part of global vision of optimization of liquid-liquid extraction processes used in synergy, consisting in understanding the mechanisms underlying the synergy, and generalizing these mechanisms to all synergistic extraction systems. The understanding of these mechanisms underlying synergism aims at predicting and developing new synergistic extractants mixtures.To better understand the driving forces at the origin of synergistic phenomena, a suitable methodology for the characterization of supramolecular structures of extractant in the organic phase was exploited during this thesis work. The use of techniques like Small Angle Neutron/X-ray Scattering (SAXS/ANS) and interfacial tensiometry was crucial for the understanding of the synergistic mechanisms. A thermodynamical was also proposed to estimate quantitatively the key driving forces involved in the liquid-liquid extraction mechanisms. The application of these keys of comprehension helped to design a new synergistic system for the extraction of rare earths elements from phosphoric medium. (author) [fr

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

International Nuclear Information System (INIS)

Bursik, A.

2005-01-01

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

Female Faculty Members in University Chemistry Departments: Observations and Conclusions Based on Site Visits

Science.gov (United States)

Chapman, Sally; Dixon, Felicia F.; Foster, Natalie; Kuck, Valerie J.; McCarthy, Deborah A.; Tooney, Nancy M.; Buckner, Janine P.; Nolan, Susan A.; Marzabadi, Cecilia H.

2011-01-01

Oral interviews in focus groups and written surveys were conducted with 877 men and women, including administrators, faculty members, postdoctoral associates, and graduate students, during one-day site visits to chemistry and chemical engineering departments at 28 Ph.D.-granting institutions. This report is a preliminary review of the perceptions…

From trace chemistry to single atom chemistry

International Nuclear Information System (INIS)

Adloff, J.P.

1993-01-01

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

The Composition and Chemistry of the Deep Tropospheres of Saturn and Uranus from Ground-Based Radio Observations

Science.gov (United States)

Hofstadter, M. D.; Adumitroaie, V.; Atreya, S. K.; Butler, B.

2017-12-01

Ground-based radio observations of the giant planets at wavelengths from 1 millimeter to 1 meter have long been the primary means to study the deep tropospheres of both gas- and ice-giant planets (e.g. de Pater and Massie 1985, Icarus 62; Hofstadter and Butler 2003, Icarus 165). Most recently, radiometers aboard the Cassini and Juno spacecraft at Saturn and Jupiter, respectively, have demonstrated the ability of spaceborne systems to study composition and weather beneath the visible cloud tops with high spatial resolution (Janssen et al. 2013, Icarus 226; Bolton et al. 2016, this meeting). Ground-based observations remain, however, an excellent way to study the tropospheres of the ice giants, particularly the temporal and spatial distribution of condensible species, and to study the deep troposphere of Saturn in the region of the water cloud. This presentation focuses on two ground-based data sets, one for Uranus and one for Saturn. The Uranus data were all collected near the 2007 equinox, and span wavelengths from 0.1 to 20 cm. These data provide a snapshot of atmospheric composition at a single season. The Saturn observations were recently made with the EVLA observatory at wavelengths from 3 to 90 cm, augmented by published observations at shorter and longer wavelengths. It is expected that these data will allow us to constrain conditions in the water cloud region on Saturn. At the time of this writing, both data sets are being analyzed using an optimal estimation retrieval algorithm fed with the latest published information on the chemical and electrical properties of relevant atmospheric species (primarily H2O, NH3, H2S, PH3, and free electrons). At Uranus, we find that—consistent with previously published work—ammonia in the 1 to 50-bar range is strongly depleted from solar values. The relative volume mixing ratios of the above species satisfy PH3 < NH3 < H2S < H2O, which is interesting because based on cosmic abundances one would expect H2S < NH3. At the

Organic chemistry

International Nuclear Information System (INIS)

2003-08-01

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

Solid-State Chemistry as a Formation Mechanism for C 4N 2 Ice and Possibly the Haystack (220 cm -1 ice emission feature) in Titan's Stratosphere as Observed by Cassini CIRS

Science.gov (United States)

Anderson, Carrie; Samuelson, Robert E.; McLain, Jason L.; Nna Mvondo, Delphine; Romani, Paul; Flasar, F. Michael

2016-10-01

A profusion of organic ices containing hydrocarbons, nitriles, and combinations of their mixtures comprise Titan's complex stratospheric cloud systems, and are typically formed via vapor condensation. These ice particles are then distributed throughout the mid-to-lower stratosphere, with an increased abundance near the winter poles (see Anderson et al., 2016). The cold temperatures and the associated strong circumpolar winds that isolate polar air act in much the same way as on Earth, giving rise to compositional anomalies and stratospheric clouds that provide heterogeneous chemistry sites.Titan's C4N2 ice emission feature at 478 cm-1 and "the Haystack," a strong unidentified stratospheric ice emission feature centered at 220 cm-1, share a common characteristic. Even though both are distinctive ice emission features evident in Cassini Composite InfraRed (CIRS) far-IR spectra, no associated vapor emission features can be found in Titan's atmosphere. Without a vapor phase, solid-state chemistry provides an alternate mechanism beside vapor condensation for producing these observed stratospheric ices.Anderson et al., (2016) postulated that C4N2 ice formed in Titan's stratosphere via the solid-state photochemical reaction HCN + HC3N → C4N2 + H2 can occur within extant HCN-HC3N composite ice particles. Such a reaction, and potentially similar reactions that may produce the Haystack ice, are specific examples of solid-state chemistry in solar system atmospheres. This is in addition to the reaction HCl + ClONO2 → HNO3 + Cl2, which is known to produce HNO3 coatings on terrestrial water ice particles, a byproduct of the catalytic chlorine chemistry that produces ozone holes in Earth's polar stratosphere (see for example, Molina et al., 1987 Soloman, 1999).A combination of radiative transfer modeling of CIRS far-IR spectra, coupled with optical constants derived from thin film transmittance spectra of organic ice mixtures obtained in our Spectroscopy for Planetary ICes

Preparative radiation chemistry

International Nuclear Information System (INIS)

Drawe, H.

1978-01-01

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

Primary water chemistry monitoring from the point of view of radiation build-up

Energy Technology Data Exchange (ETDEWEB)

Horvath, G L [Institute for Electrical Power Research, Budapest (Hungary); Civin, V [Hungarian Electricity Generating Board, Budapest (Hungary); Pinter, T [Nuclear Power Plant PAKS, Budapest (Hungary)

1997-02-01

Basic operational principles of a computer code system calculating the primary circuit corrosion product activities based on actual measured plant chemistry data are presented. The code system consists of two parts: FeSolub.prg: calculates the characteristic iron solubilities based on actual primary water chemistry (H{sub 3}BO{sub 3}KOH, ... etc.) and plant load (MW) data. A developed solubility calculation method has been applied fitted to magnetite solubility data of several authors; RADTRAN.exe: calculates primary circuit water and surface corrosion product activities based on results of FeSolub.prg or planned water chemistry data up to the next shutdown. The computer code system is going to be integrated into a general primary water chemistry monitoring and surveillance system. (author). 15 refs, 4 figs, 3 tabs.

Annual Report of Institute of Nuclear Chemistry and Technology 2001

International Nuclear Information System (INIS)

2002-06-01

The INCT 2001 Annual Report is the review of scientific activities in all branches being developed in the Institute of Nuclear Chemistry and Technology in Warsaw. The studies are connected in general with the following fields: radiation chemistry and physics, radiation technologies, radiochemistry, stable isotopes, nuclear analytical methods, chemistry in general, radiobiology, process engineering, material engineering, structural studies and diagnostics, nucleonic control systems and accelerators and nuclear analytical methods

Annual Report 2004 of Institute of Nuclear Chemistry and Technology

International Nuclear Information System (INIS)

Michalik, J.; Smulek, W.; Godlewska-Para, E.

2005-06-01

The INCT 2004 Annual Report is the review of scientific activities in all branches being developed in the Institute of Nuclear Chemistry and Technology Warsaw. The studies are connected in general with the following fields: radiation chemistry and physics, radiation technologies, radiochemistry, stable isotopes, nuclear analytical methods, chemistry in general, radiobiology, process engineering, material engineering, structural studies and diagnostics, nucleonic control systems and accelerators, radiobiology and nuclear analytical methods

Annual Report 2004 of Institute of Nuclear Chemistry and Technology

Energy Technology Data Exchange (ETDEWEB)

Michalik, J; Smulek, W; Godlewska-Para, E [eds.

2005-06-01

The INCT 2004 Annual Report is the review of scientific activities in all branches being developed in the Institute of Nuclear Chemistry and Technology Warsaw. The studies are connected in general with the following fields: radiation chemistry and physics, radiation technologies, radiochemistry, stable isotopes, nuclear analytical methods, chemistry in general, radiobiology, process engineering, material engineering, structural studies and diagnostics, nucleonic control systems and accelerators, radiobiology and nuclear analytical methods.

Annual Report of Institute of Nuclear Chemistry and Technology 2001

Energy Technology Data Exchange (ETDEWEB)

NONE

2002-06-01

The INCT 2001 Annual Report is the review of scientific activities in all branches being developed in the Institute of Nuclear Chemistry and Technology in Warsaw. The studies are connected in general with the following fields: radiation chemistry and physics, radiation technologies, radiochemistry, stable isotopes, nuclear analytical methods, chemistry in general, radiobiology, process engineering, material engineering, structural studies and diagnostics, nucleonic control systems and accelerators and nuclear analytical methods.

Laboratory study of nitrate photolysis in Antarctic snow. I. Observed quantum yield, domain of photolysis, and secondary chemistry

Energy Technology Data Exchange (ETDEWEB)

Meusinger, Carl; Johnson, Matthew S. [Department of Chemistry, University of Copenhagen, Copenhagen (Denmark); Berhanu, Tesfaye A.; Erbland, Joseph; Savarino, Joel, E-mail: jsavarino@lgge.obs.ujf-grenoble.fr [Univ. Grenoble Alpes, LGGE, F-38000 Grenoble (France); CNRS, LGGE, F-38000 Grenoble (France)

2014-06-28

Post-depositional processes alter nitrate concentration and nitrate isotopic composition in the top layers of snow at sites with low snow accumulation rates, such as Dome C, Antarctica. Available nitrate ice core records can provide input for studying past atmospheres and climate if such processes are understood. It has been shown that photolysis of nitrate in the snowpack plays a major role in nitrate loss and that the photolysis products have a significant influence on the local troposphere as well as on other species in the snow. Reported quantum yields for the main reaction spans orders of magnitude – apparently a result of whether nitrate is located at the air-ice interface or in the ice matrix – constituting the largest uncertainty in models of snowpack NO{sub x} emissions. Here, a laboratory study is presented that uses snow from Dome C and minimizes effects of desorption and recombination by flushing the snow during irradiation with UV light. A selection of UV filters allowed examination of the effects of the 200 and 305 nm absorption bands of nitrate. Nitrate concentration and photon flux were measured in the snow. The quantum yield for loss of nitrate was observed to decrease from 0.44 to 0.003 within what corresponds to days of UV exposure in Antarctica. The superposition of photolysis in two photochemical domains of nitrate in snow is proposed: one of photolabile nitrate, and one of buried nitrate. The difference lies in the ability of reaction products to escape the snow crystal, versus undergoing secondary (recombination) chemistry. Modeled NO{sub x} emissions may increase significantly above measured values due to the observed quantum yield in this study. The apparent quantum yield in the 200 nm band was found to be ∼1%, much lower than reported for aqueous chemistry. A companion paper presents an analysis of the change in isotopic composition of snowpack nitrate based on the same samples as in this study.

Cycloadditions in modern polymer chemistry.

Science.gov (United States)

Delaittre, Guillaume; Guimard, Nathalie K; Barner-Kowollik, Christopher

2015-05-19

, beyond the popular maleimide/furan couple, we present chemistries based on more reactive species, such as cyclopentadienyl or thiocarbonylthio moieties, particularly stressing the reversibility of these systems. In these two greater families, as well as in the last section on [2+2] cycloadditions, we highlight phototriggered chemistries as a powerful tool for spatially and temporally controlled materials synthesis. Clearly, cycloaddition chemistry already has and will continue to transform the field of polymer chemistry in the years to come. Applying this chemistry enables better control over polymer composition, the development of more complicated polymer architectures, the simplification of polymer library production, and the discovery of novel applications for all of these new polymers.

Analytical chemistry in nuclear science and technology: a scientometric mapping

International Nuclear Information System (INIS)

Kademani, B.S.; Kumar, Anil; Kumar, Vijai

2007-01-01

This paper attempts to analyse quantitatively the growth and development of Analytical Chemistry research in Nuclear Science and Technology in terms of publication output as reflected in International Nuclear Information System (INIS) database (1970-2005). During 1970-2005 a total of 8224 papers were published. There were only seven papers published in 1970. Thereafter, a tremendous explosion of literature was observed in this area. The highest number of papers (636) were published in 1985. The average number of publications published per year was 228.44. United States topped the list with 1811 publications followed by USSR with 1688 publications, Germany with 777 publications, India with 730 publications and Hungary with 519 publications. Authorship and collaboration trend was towards multi-authored papers as 80.3 percent of the papers were collaborative is indicative of the multidisciplinary nature of research activity. The most prolific authors were: B. F. Myasoedov, AN SSSR Moscow Inst. Geokhimii I Analitisheskoi Khimii, Russian Federation with 84 publications, M. Sudersanan, Bhabha Atomic Research Centre, Mumbai, India with 67 publications, P.Vanura and V. Jedinakova Krizova both from Institute of Chemical Technology, Prague, Czech Republic with 54 publications each, S. Gangadharan, Bhabha Atomic Research Centre, Mumbai, India with 47 publications, V.M. Ivanova , M.V. Lomonosov Moscow State University, Russian Federation with 45 publications and Yu. A Zolotov Lomonosov Moscow State University, Russian Federation with 40 publications. The journals most preferred by the scientists for publication of papers were : Zhurnal Analiticheskoj Khimii with 713 papers, Journal of Radioanalytical and Nuclear Chemistry with 409 papers, Analytical Chemistry Washington with 364 papers, Fresenius' Journal of Analytical Chemistry with 324 papers, Indian Journal of Chemistry, Section A with 251 papers, and Journal of Analytical Chemistry of the USSR with 145 papers. The high

Organic chemistry experiment

International Nuclear Information System (INIS)

Mun, Seok Sik

2005-02-01

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

Abstracts of the 1. Regional Meeting on Chemistry

International Nuclear Information System (INIS)

Abstracts from papers on Analytical, Inorganic and Organic Chemistry as well as on Physico-Chemistry are presented. Emphasis is given to the following subjects: use of nuclear techniques for chemical analysis, separation processes, studies about reaction kinetics and thermodynamic properties, radioisotopes production and applications, labelled compounds, electron-molecule collisions, construction of measuring instruments and data acquisition systems. (C.L.B.) [pt

The latest general chemistry

International Nuclear Information System (INIS)

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

1995-02-01

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

Sensitivity to grid resolution in the ability of a chemical transport model to simulate observed oxidant chemistry under high-isoprene conditions

Directory of Open Access Journals (Sweden)

K. Yu

2016-04-01

Full Text Available Formation of ozone and organic aerosol in continental atmospheres depends on whether isoprene emitted by vegetation is oxidized by the high-NOx pathway (where peroxy radicals react with NO or by low-NOx pathways (where peroxy radicals react by alternate channels, mostly with HO2. We used mixed layer observations from the SEAC4RS aircraft campaign over the Southeast US to test the ability of the GEOS-Chem chemical transport model at different grid resolutions (0.25°  ×  0.3125°, 2°  ×  2.5°, 4°  ×  5° to simulate this chemistry under high-isoprene, variable-NOx conditions. Observations of isoprene and NOx over the Southeast US show a negative correlation, reflecting the spatial segregation of emissions; this negative correlation is captured in the model at 0.25°  ×  0.3125° resolution but not at coarser resolutions. As a result, less isoprene oxidation takes place by the high-NOx pathway in the model at 0.25°  ×  0.3125° resolution (54 % than at coarser resolution (59 %. The cumulative probability distribution functions (CDFs of NOx, isoprene, and ozone concentrations show little difference across model resolutions and good agreement with observations, while formaldehyde is overestimated at coarse resolution because excessive isoprene oxidation takes place by the high-NOx pathway with high formaldehyde yield. The good agreement of simulated and observed concentration variances implies that smaller-scale non-linearities (urban and power plant plumes are not important on the regional scale. Correlations of simulated vs. observed concentrations do not improve with grid resolution because finer modes of variability are intrinsically more difficult to capture. Higher model resolution leads to decreased conversion of NOx to organic nitrates and increased conversion to nitric acid, with total reactive nitrogen oxides (NOy changing little across model resolutions. Model concentrations in the

IPS observation system for the Miyun 50 m radio telescope and its commissioning observation

International Nuclear Information System (INIS)

Zhu Xinying; Zhang Xizhen; Zhang Hongbo; Kong Deqing; Qu Huipeng

2012-01-01

Ground-based observation of Interplanetary Scintillation (IPS) is an important approach for monitoring solar wind. A ground-based IPS observation system has been newly implemented on a 50 m radio telescope at Miyun station, managed by the National Astronomical Observatories, Chinese Academy of Sciences. This observation system has been constructed for the purpose of observing solar wind speed and the associated scintillation index by using the normalized cross-spectrum of a simultaneous dual-frequency IPS measurement. The system consists of a universal dual-frequency front-end and a dual-channel multi-function back-end specially designed for IPS. After careful calibration and testing, IPS observations on source 3C 273B and 3C 279 have been successfully carried out. The preliminary observation results show that this newly-developed observation system is capable of performing IPS observation. The system's sensitivity for IPS observation can reach over 0.3 Jy in terms of an IPS polarization correlator with 4 MHz bandwidth and 2 s integration time. (research papers)

BWR water chemistry guidelines and PWR primary water chemistry guidelines in Japan – Purpose and technical background

Energy Technology Data Exchange (ETDEWEB)

Kawamura, Hirotaka, E-mail: kawamuh@criepi.denken.or.jp [Central Research Institute of Electric Power Industry (Japan); Hirano, Hideo [Central Research Institute of Electric Power Industry (Japan); Katsumura, Yousuke [University of Tokyo (Japan); Uchida, Shunsuke [Tohoku University (Japan); Mizuno, Takayuki [Mie University (Japan); Kitajima, Hideaki; Tsuzuki, Yasuo [Japan Nuclear Safety Institute (Japan); Terachi, Takumi [Institute of Nuclear Safety System, Inc. (Japan); Nagase, Makoto; Usui, Naoshi [Hitachi-GE Nuclear Energy, Ltd. (Japan); Takagi, Junichi; Urata, Hidehiro [Toshiba Corporation (Japan); Shoda, Yasuhiko; Nishimura, Takao [Mitsubishi Heavy Industry, Ltd. (Japan)

2016-12-01

Highlights: • Framework of BWR/PWR water chemistry Guidelines in Japan are presented. • Guideline necessity, definitions, philosophy and technical background are mentioned. • Some guideline settings for control parameters and recommendations are explaines. • Chemistry strategy is also mentioned. - Abstract: After 40 years of light water reactor (LWR) operations in Japan, the sustainable development of water chemistry technologies has aimed to ensure the highest coolant system component integrity and fuel reliability performance for maintaining LWRs in the world; additionally, it aimed to achieve an excellent dose rate reduction. Although reasonable control and diagnostic parameters are utilized by each boiling water reactor (BWR) and pressurized water reactor (PWR) owner, it is recognized that specific values are not shared among everyone involved. To ensure the reliability of BWR and PWR operation and maintenance, relevant members of the Atomic Energy Society of Japan (AESJ) decided to establish guidelines for water chemistry. The Japanese BWR and PWR water chemistry guidelines provide strategies to improve material and fuel reliability performance as well as to reduce dosing rates. The guidelines also provide reasonable “control values”, “diagnostic values” and “action levels” for multiple parameters, and they stipulate responses when these levels are exceeded. Specifically, “conditioning parameters” are adopted in the Japanese PWR primary water chemistry guidelines. Good practices for operational conditions are also discussed with reference to long-term experience. This paper presents the purpose, technical background and framework of the preliminary water chemistry guidelines for Japanese BWRs and PWRs. It is expected that the guidelines will be helpful as an introduction to achieve safety and reliability during operations.

Cognitive Strategy in Learning Chemistry: How Chunking and Learning Get Together

Science.gov (United States)

Lah, Norma Che; Saat, Rohaida Mohd; Hassan, Ruhaya

2014-01-01

The study explores chunking strategies applied in Short Term Memory (STM) by upper secondary students of mixed chemistry learning abilities. The aim of the study is to observe variations in chunking strategies utilized by these students when learning the Periodic Table of Elements in the Form Four Chemistry syllabus. Findings show that students…

Organic Chemistry in Space

Science.gov (United States)

Charnley, Steven

2009-01-01

Astronomical observations, theoretical modeling, laboratory simulation and analysis of extraterrestrial material have enhanced our knowledge of the inventory of organic matter in the interstellar medium (ISM) and on small bodies such as comets and asteroids (Ehrenfreund & Charnley 2000). Comets, asteroids and their fragments, meteorites and interplanetary dust particles (IDPs), contributed significant amounts of extraterrestrial organic matter to the young Earth. This material degraded and reacted in a terrestrial prebiotic chemistry to form organic structures that may have served as building blocks for life on the early Earth. In this talk I will summarize our current understanding of the organic composition and chemistry of interstellar clouds. Molecules of astrobiological relevance include the building blocks of our genetic material: nucleic acids, composed of subunits such as N-heterocycles (purines and pyrimidines), sugars and amino acids. Signatures indicative of inheritance of pristine and modified interstellar material in comets and meteorites will also be discussed.

Radiation chemistry of polymeric system

International Nuclear Information System (INIS)

Machi, Sueo; Ishigaki, Isao

1978-01-01

Among wide application of radiation in the field of polymer chemistry, practices of polymerization, graft polymerization, bridging, etc. are introduced hereinafter. As for the radiation sources of radiation polymerization, in addition to the 60 Co-γ ray with long permeation distance which has been usually applied, electron beam accelerators with high energy, large current and high reliability have come to be produced, and the liquid phase polymerization by electron beam has attracted attention industrially. Concerning polymerizing reactions, explanations were given to electron beam polymerization under high dose rate, the polymerization in supercooling state or under high pressure, and emulsifying polymerization. As for radiation bridging, radiation is applied for the bridging of hydrogel, acceleration of bridging and improvement of radiation resistance. It is also utilized for reforming membranes by graft polymerization, and synthesis of polymers for medical use. Application of fixed enzymes in the medical field has been investigated by fixing various enzymes by low temperature γ-ray polymerization with glassy monomers such as HEMA. (Kobatake, H.)

Analytical chemistry instrumentation

International Nuclear Information System (INIS)

Laing, W.R.

1986-01-01

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

Experience of Ko-Ri Unit 1 water chemistry

International Nuclear Information System (INIS)

Tae Il Lee

1983-01-01

The main focus is placed on operational experience in secondary system water chemistry (especially the steam generator) of the Ko-Ri nuclear power plant Unit 1, Republic of Korea, but primary side chemistry is also discussed. The major concern of secondary water chemistry in a PWR is that the condition of the steam generator be well maintained. Full flow deep bed condensate polishers have recently been installed and operation started in July 1982. Boric acid treatment of the steam generator was stopped and only the all volatile treatment method was used thereafter. A review of steam generator integrity, the chemistry control programme, secondary water quality, etc. is considered to be of great value regarding the operation of Unit 1 and future units now under startup testing or construction in the Republic of Korea. (author)

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

International Nuclear Information System (INIS)

2011-01-01

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

Using Combined Marine Spatial Planning Tools and Observing System Experiments to define Gaps in the Emerging European Ocean Observing System.

Science.gov (United States)

Nolan, G.; Pinardi, N.; Vukicevic, T.; Le Traon, P. Y.; Fernandez, V.

2016-02-01

Ocean observations are critical to providing accurate ocean forecasts that support operational decision making in European open and coastal seas. Observations are available in many forms from Fixed platforms e.g. Moored Buoys and tide gauges, underway measurements from Ferrybox systems, High Frequency radars and more recently from underwater Gliders and profiling floats. Observing System Simulation Experiments have been conducted to examine the relative contribution of each type of platform to an improvement in our ability to accurately forecast the future state of the ocean with HF radar and Gliders showing particular promise in improving model skill. There is considerable demand for ecosystem products and services from today's ocean observing system and biogeochemical observations are still relatively sparse particularly in coastal and shelf seas. There is a need to widen the techniques used to assess the fitness for purpose and gaps in the ocean observing system. As well as Observing System Simulation Experiments that quantify the effect of observations on the overall model skill we present a gap analysis based on (1) Examining where high model skill is required based on a marine spatial planning analysis of European seas i.e where does activity take place that requires more accurate forecasts? and (2) assessing gaps based on the capacity of the observing system to answer key societal challenges e.g. site suitability for aquaculture and ocean energy, oil spill response and contextual oceanographic products for fisheries and ecosystems. The broad based analysis will inform the development of the proposed European Ocean Observing System as a contribution to the Global Ocean Observing System (GOOS).

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

Science.gov (United States)

Kubiatko, Milan

2015-01-01

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

Vesper - Venus Chemistry and Dynamics Orbiter - A NASA Discovery Mission Proposal: Submillimeter Investigation of Atmospheric Chemistry and Dynamics

Science.gov (United States)

Chin, Gordon

2011-01-01

Vesper conducts a focused investigation of the chemistry and dynamics of the middle atmosphere of our sister planet- from the base of the global cloud cover to the lower thermosphere. The middle atmosphere controls the stability of the Venus climate system. Vesper determines what processes maintain the atmospheric chemical stability, cause observed variability of chemical composition, control the escape of water, and drive the extreme super-rotation. The Vesper science investigation provides a unique perspective on the Earth environment due to the similarities in the middle atmosphere processes of both Venus and the Earth. Understanding key distinctions and similarities between Venus and Earth will increase our knowledge of how terrestrial planets evolve along different paths from nearly identical initial conditions.

Data Assimilation: Making Sense of Earth Observation

Directory of Open Access Journals (Sweden)

William Albert Lahoz

2014-05-01

Full Text Available Climate change, air quality and environmental degradation are important societal challenges for the 21st Century. These challenges require an intelligent response from society, which in turn requires access to information about the Earth System. This information comes from observations and prior knowledge, the latter typically embodied in a model describing relationships between variables of the Earth System. Data assimilation provides an objective methodology to combine observational and model information to provide an estimate of the most likely state and its uncertainty for the whole Earth System. This approach adds value to the observations – by filling in the spatio-temporal gaps in observations; and to the model – by constraining it with the observations. In this review paper we motivate data assimilation as a methodology to fill in the gaps in observational information; illustrate the data assimilation approach with examples that span a broad range of features of the Earth System (atmosphere, including chemistry; ocean; land surface; and discuss the outlook for data assimilation, including the novel application of data assimilation ideas to observational information obtained using Citizen Science. Ultimately, a strong motivation of data assimilation is the many benefits it provides to users. These include: providing the initial state for weather and air quality forecasts; providing analyses and reanalyses for studying the Earth System; evaluating observations, instruments and models; assessing the relative value of elements of the Global Observing System (GOS; and assessing the added value of future additions to the GOS.

Plasma chemistry and organic synthesis

Science.gov (United States)

Tezuka, M.

1980-01-01

The characteristic features of chemical reactions using low temperature plasmas are described and differentiated from those seen in other reaction systems. A number of examples of applications of plasma chemistry to synthetic reactions are mentioned. The production of amino acids by discharge reactions in hydrocarbon-ammonia-water systems is discussed, and its implications for the origins of life are mentioned.

Diverse applications of radiation chemistry

International Nuclear Information System (INIS)

Cooper, R.

1998-01-01

Radiation chemistry began as early radiotherapists needed a reliable and appropriate dosimeter. The iron sulphate dosimeter, using ferrous iron in sulphuric acid and oxidation by irradiation, was a nasty brew of chemicals but it was sensitive, reliable and conveniently had the same density as human tissue. Water irradiation chemistry studies were driven by the need to understand the fundamental processes in radiotherapy; to control the corrosion problems in the cooling/ heat exchange systems of nuclear reactors and to find stable solvents and reagents for use in spent fuel element processing. The electrical and mechanical stability of materials in high radiation fields stimulated the attention of radiation chemists to the study of defects in solids. The coupled use of radiation and Electron Spin Resonance (ESR) enabled the identity of defect structures to be probed. This research led to the development of the sensitive Thermoluminescent Dosimeters, TLD's and a technique for dating of archaeological pottery artefacts. Radiation chemistry in the area of medicine is very active with fundamental studies of the mechanism of DNA strand breakage and the development of radiation sensitisers and protectors for therapeutic purposes. The major area of polymer radiation chemistry is one which Australia commands great international respect

Seeking the chemical roots of darwinism: bridging between chemistry and biology.

Science.gov (United States)

Pross, Addy

2009-08-24

Chemistry and biology are intimately connected sciences yet the chemistry-biology interface remains problematic and central issues regarding the very essence of living systems remain unresolved. In this essay we build on a kinetic theory of replicating systems that encompasses the idea that there are two distinct kinds of stability in nature-thermodynamic stability, associated with "regular" chemical systems, and dynamic kinetic stability, associated with replicating systems. That fundamental distinction is utilized to bridge between chemistry and biology by demonstrating that within the parallel world of replicating systems there is a second law analogue to the second law of thermodynamics, and that Darwinian theory may, through scientific reductionism, be related to that second law analogue. Possible implications of these ideas to the origin of life problem and the relationship between chemical emergence and biological evolution are discussed.

U.S. experience with hydrogen water chemistry in boiling water reactors

International Nuclear Information System (INIS)

Cowan, R.L.; Head, R.A.; Indig, M.E.; Ruiz, C.P.; Simpson, J.L.

1988-01-01

Hydrogen water chemistry in boiling water reactors is currently being adopted by many utilities in the U.S., with eleven units having completed preimplementation test programs, four units operating permanently with hydrogen water chemistry, and six other units in the process of installing permanent equipment. Intergranular stress corrosion cracking protection is required for the recirculation piping system and other regions of the BWR systems. The present paper explores progress in predicting and monitoring hydrogen water chemistry response in these areas. Testing has shown that impurities can play an important role in hydrogen water chemistry. Evaluation of their effects are also performed. Both computer modeling and in plant measurements show that each plant will respond uniquely to feedwater hydrogen addition. Thus, each plant has its own unique hydrogen requirement for recirculation system protecion. Furthermore, the modeling, and plant measurements show that different regions of the BWR respond differently to hydrogen injection. Thus, to insure protection of components other than the recirculation systems may require more (or less) hydrogen demand than indicated by the recirculation system measurements. In addition, impurities such as copper can play a significant role in establishing hydrogen demand. (Nogami, K.)

Chemistry education based on concepts represented by mental models

OpenAIRE

Gibin, Gustavo Bizarria; Ferreira, Luiz Henrique

2010-01-01

The current legislation determines that the chemist must have a solid comprehension about chemical concepts. Literature presents the concept of mental model, which is determinant to the learning of phenomena and concepts. This paper presents some mental models that students of the Chemistry course at UFSCar have about chemical concepts. A lot of incoherence was observed in student's mental models, which is an evidence that there are problems in the learning of chemistry education.

Radiation chemistry in development and research of radiation biology

International Nuclear Information System (INIS)

Min Rui

2010-01-01

During the establishment and development of radiation biology, radiation chemistry acts like bridge which units the spatial and temporal insight coming from radiation physics with radiation biology. The theory, model, and methodology of radiation chemistry play an important role in promoting research and development of radiation biology. Following research development of radiation biology effects towards systems radiation biology the illustration and exploration both diversity of biological responses and complex process of biological effect occurring remain to need the theory, model, and methodology come from radiation chemistry. (authors)

Ab initio valence calculations in chemistry

CERN Document Server

Cook, D B

1974-01-01

Ab Initio Valence Calculations in Chemistry describes the theory and practice of ab initio valence calculations in chemistry and applies the ideas to a specific example, linear BeH2. Topics covered include the Schrödinger equation and the orbital approximation to atomic orbitals; molecular orbital and valence bond methods; practical molecular wave functions; and molecular integrals. Open shell systems, molecular symmetry, and localized descriptions of electronic structure are also discussed. This book is comprised of 13 chapters and begins by introducing the reader to the use of the Schrödinge

Towards "Bildung"-Oriented Chemistry Education

Science.gov (United States)

Sjöström, Jesper

2013-01-01

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

Using foreground/background analysis to determine leaf and canopy chemistry

Science.gov (United States)

Pinzon, J. E.; Ustin, S. L.; Hart, Q. J.; Jacquemoud, S.; Smith, M. O.

1995-01-01

Spectral Mixture Analysis (SMA) has become a well established procedure for analyzing imaging spectrometry data, however, the technique is relatively insensitive to minor sources of spectral variation (e.g., discriminating stressed from unstressed vegetation and variations in canopy chemistry). Other statistical approaches have been tried e.g., stepwise multiple linear regression analysis to predict canopy chemistry. Grossman et al. reported that SMLR is sensitive to measurement error and that the prediction of minor chemical components are not independent of patterns observed in more dominant spectral components like water. Further, they observed that the relationships were strongly dependent on the mode of expressing reflectance (R, -log R) and whether chemistry was expressed on a weight (g/g) or are basis (g/sq m). Thus, alternative multivariate techniques need to be examined. Smith et al. reported a revised SMA that they termed Foreground/Background Analysis (FBA) that permits directing the analysis along any axis of variance by identifying vectors through the n-dimensional spectral volume orthonormal to each other. Here, we report an application of the FBA technique for the detection of canopy chemistry using a modified form of the analysis.

Green Chemistry Metrics with Special Reference to Green Analytical Chemistry

Directory of Open Access Journals (Sweden)

Marek Tobiszewski

2015-06-01

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

Green Chemistry Metrics with Special Reference to Green Analytical Chemistry.

Science.gov (United States)

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

2015-06-12

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

Annual Report 2003 of the Institute of Nuclear Chemistry and Technology

Energy Technology Data Exchange (ETDEWEB)

NONE

2004-07-01

The INCT 2003 Annual Report is the review of scientific activities in all branches being developed in the Institute of Nuclear Chemistry and Technology Warsaw. The studies are connected in general with the following fields: radiation chemistry and physics, radiation technologies, radiochemistry, stable isotopes, nuclear analytical methods, chemistry in general, radiobiology, process engineering, material engineering, structural studies, nucleonic control systems and accelerators.

Annual Report 2003 of the Institute of Nuclear Chemistry and Technology

International Nuclear Information System (INIS)

2004-01-01

The INCT 2003 Annual Report is the review of scientific activities in all branches being developed in the Institute of Nuclear Chemistry and Technology Warsaw. The studies are connected in general with the following fields: radiation chemistry and physics, radiation technologies, radiochemistry, stable isotopes, nuclear analytical methods, chemistry in general, radiobiology, process engineering, material engineering, structural studies, nucleonic control systems and accelerators

Synthesis and Assimilation Systems - Essential Adjuncts to the Global Ocean Observing System

Science.gov (United States)

Rienecker, Michele M.; Balmaseda, Magdalena; Awaji, Toshiyuki; Barnier, Bernard; Behringer, David; Bell, Mike; Bourassa, Mark; Brasseur, Pierre; Breivik, Lars-Anders; Carton, James;

Longline Observer Data System

Data.gov (United States)

National Oceanic and Atmospheric Administration, Department of Commerce — LODS, the Hawaii Longline Observer Data System, is a complete suite of tools designed to collect, process, and manage quality fisheries data and information. Guided...

Low temperature surface chemistry and nanostructures

Science.gov (United States)

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

2002-03-01

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

Organoactinide chemistry: synthesis, structure, and solution dynamics

International Nuclear Information System (INIS)

Brennan, J.G.

1985-12-01

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

Progress report 1985-1986 Reactor Chemistry Department

International Nuclear Information System (INIS)

1987-12-01

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

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

Science.gov (United States)

Garcia, Carmen Alicia

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

Capturing Chemistry in Action with Electrons: Realization of Atomically Resolved Reaction Dynamics.

Science.gov (United States)

Ischenko, Anatoly A; Weber, Peter M; Miller, R J Dwayne

2017-08-23

One of the grand challenges in chemistry has been to directly observe atomic motions during chemical processes. The depiction of the nuclear configurations in space-time to understand barrier crossing events has served as a unifying intellectual theme connecting the different disciplines of chemistry. This challenge has been cast as an imaging problem in which the technical issues reduce to achieving not only sufficient simultaneous space-time resolution but also brightness for sufficient image contrast to capture the atomic motions. This objective has been met with electrons as the imaging source. The review chronicles the first use of electron structural probes to study reactive intermediates, to the development of high bunch charge electron pulses with sufficient combined spatial-temporal resolution and intensity to literally light up atomic motions, as well as the means to characterize the electron pulses in terms of temporal brightness and image reconstruction. The use of femtosecond Rydberg spectroscopy as a novel means to use internal electron scattering within the molecular reference frame to obtain similar information on reaction dynamics is also discussed. The focus is on atomically resolved chemical reaction dynamics with pertinent references to work in other areas and forms of spectroscopy that provide additional information. Effectively, we can now directly observe the far-from-equilibrium atomic motions involved in barrier crossing and categorize chemistry in terms of a power spectrum of a few dominant reaction modes. It is this reduction in dimensionality that makes chemical reaction mechanisms transferrable to seemingly arbitrarily complex (large N) systems, up to molecules as large as biological macromolecules (N > 1000 atoms). We now have a new way to reformulate reaction mechanisms using an experimentally determined dynamic mode basis that in combination with recent theoretical advances has the potential to lead to a new conceptual basis for

Green Chemistry Pedagogy

Science.gov (United States)

Kolopajlo, Larry

2017-02-01

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

The Medicinal Chemistry of Dengue Virus.

Science.gov (United States)

Behnam, Mira A M; Nitsche, Christoph; Boldescu, Veaceslav; Klein, Christian D

2016-06-23

The dengue virus and related flaviviruses are an increasing global health threat. In this perspective, we comment on and review medicinal chemistry efforts aimed at the prevention or treatment of dengue infections. We include target-based approaches aimed at viral or host factors and results from phenotypic screenings in cellular assay systems for viral replication. This perspective is limited to the discussion of results that provide explicit chemistry or structure-activity relationship (SAR), or appear to be of particular interest to the medicinal chemist for other reasons. The discovery and development efforts discussed here may at least partially be extrapolated toward other emerging flaviviral infections, such as West Nile virus. Therefore, this perspective, although not aimed at flaviviruses in general, should also be able to provide an overview of the medicinal chemistry of these closely related infectious agents.

Experimental and Analytical Studies of Solar System Chemistry

Science.gov (United States)

Burnett, Donald S.

2003-01-01

The cosmochemistry research funded by this grant resulted in the publications given in the attached Publication List. The research focused in three areas: (1) Experimental studies of trace element partitioning. (2) Studies of the minor element chemistry and O isotopic compositions of MgAlO4 spinels from Ca-Al-Rich Inclusions in carbonaceous chondrite meteorites, and (3) The abundances and chemical fractionations of Th and U in chondritic meteorites.

Employment of mobile devices in chemistry education

OpenAIRE

Švehla, Martin

2013-01-01

This diploma thesis is focused on the use of mobile devices in chemistry education. Describes various mobile devices, including different operating systems and technology and shows huge potential that these devices bring to education. It also includes an overview of existing educational programs with a chemical theme on mobile devices. Part of this work was to create a custom supportive program Chemical helper for mobile devices, which can be used in chemistry education, laboratory and also i...

Predictive Modeling in Actinide Chemistry and Catalysis

Energy Technology Data Exchange (ETDEWEB)

Yang, Ping [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

2016-05-16

These are slides from a presentation on predictive modeling in actinide chemistry and catalysis. The following topics are covered in these slides: Structures, bonding, and reactivity (bonding can be quantified by optical probes and theory, and electronic structures and reaction mechanisms of actinide complexes); Magnetic resonance properties (transition metal catalysts with multi-nuclear centers, and NMR/EPR parameters); Moving to more complex systems (surface chemistry of nanomaterials, and interactions of ligands with nanoparticles); Path forward and conclusions.

Chemistry Notes

Science.gov (United States)

School Science Review, 1976

1976-01-01

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

Fundamentals of nuclear chemistry

International Nuclear Information System (INIS)

Matel, L.; Dulanska, S.

2013-01-01

This text-book is an introductory text in nuclear chemistry and radiochemistry, aimed on university undergraduate students in chemistry and related disciplines (physics, nuclear engineering). It covers the key aspects of modern nuclear chemistry. The text begins with basic theories in contemporary physics. It relates nuclear phenomena to key divisions of chemistry such as atomic structure, spectroscopy, equilibria and kinetics. It also gives an introduction to sources of ionizing radiation, detection of ionizing radiation, nuclear power industry and accident on nuclear installations as well as basic knowledge's of radiobiology. This book is essential reading for those taking a first course in nuclear chemistry and is a useful companion to other volumes in physical and analytical chemistry. It will also be of use to those new to working in nuclear chemistry or radiochemistry.

NOAA Observing System Integrated Analysis (NOSIA): development and support to the NOAA Satellite Observing System Architecture

Science.gov (United States)

Reining, R. C.; Cantrell, L. E., Jr.; Helms, D.; LaJoie, M.; Pratt, A. S.; Ries, V.; Taylor, J.; Yuen-Murphy, M. A.

2016-12-01

There is a deep relationship between NOSIA-II and the Federal Earth Observation Assessment (EOA) efforts (EOA 2012 and 2016) chartered under the National Science and Technology Council, Committee on Environment, Natural Resources, and Sustainability, co-chaired by the White House Office of Science and Technology Policy, NASA, NOAA, and USGS. NOSIA-1, which was conducted with a limited scope internal to NOAA in 2010, developed the methodology and toolset that was adopted for EOA 2012, and NOAA staffed the team that conducted the data collection, modeling, and analysis effort for EOA 2012. EOA 2012 was the first-ever integrated analysis of the relative impact of 379 observing systems and data sources contributing to the key objectives identified for 13 Societal Benefit Areas (SBA) including Weather, Climate, Disasters, Oceans and Coastal Resources, and Water Resources. This effort culminated in the first National Plan for Civil Earth Observations. NOAA conducted NOSIA-II starting in 2012 to extend the NOSIA methodology across all of NOAA's Mission Service Areas, covering a representative sample (over 1000) of NOAA's products and services. The detailed information from NOSIA-II is being integrated into EOA 2016 to underpin a broad array of Key Products, Services, and (science) Objectives (KPSO) identified by the inter-agency SBA teams. EOA 2016 is expected to provide substantially greater insight into the cross-agency impacts of observing systems contributing to a wide array of KPSOs, and by extension, to societal benefits flowing from these public-facing products. NOSIA-II is being adopted by NOAA as a corporate decision-analysis and support capability to inform leadership decisions on its integrated observing systems portfolio. Application examples include assessing the agency-wide impacts of planned decommissioning of ships and aircraft in NOAA's fleet, and the relative cost-effectiveness of alternative space-based architectures in the post-GOES-R and JPSS era

Visual Representations of Microcosm in Textbooks of Chemistry: Constructing a Systemic Network for Their Main Conceptual Framework

Science.gov (United States)

Papageorgiou, George; Amariotakis, Vasilios; Spiliotopoulou, Vasiliki

2017-01-01

The main objective of this work is to analyse the visual representations (VRs) of the microcosm depicted in nine Greek secondary chemistry school textbooks of the last three decades in order to construct a systemic network for their main conceptual framework and to evaluate the contribution of each one of the resulting categories to the network.…

Handbook of heterocyclic chemistry

National Research Council Canada - National Science Library

Katritzky, Alan R

2010-01-01

... Heterocyclic Chemistry I (1984) Comprehensive Heterocyclic Chemistry II (1996) Comprehensive Heterocyclic Chemistry III (2008) Comprehensive Organic Functional Group Transformations I (1995) Compreh...

Ligand-directed tosyl chemistry for in situ native protein labeling and engineering in living systems: from basic properties to applications.

Science.gov (United States)

Tsukiji, Shinya; Hamachi, Itaru

2014-08-01

The ability to introduce any chemical probe to any endogenous target protein in its native environment, that is in cells and in vivo, is anticipated to provide various new exciting tools for biological and biomedical research. Although still at the prototype stage, the ligand-directed tosyl (LDT) chemistry is a novel type of affinity labeling technique that we developed for such a dream. This chemistry allows for modifying native proteins by various chemical probes with high specificity in various biological settings ranging from in vitro (in test tubes) to in living cells and in vivo. Since the first report, the list of proteins that are successfully labeled by the LDT chemistry has been increasing. A growing number of studies have demonstrated its utility to create semisynthetic proteins directly in cellular contexts. The in situ generated semisynthetic proteins are applicable for various types of analysis and imaging of intracellular biological processes. In this review, we summarize the basic properties of the LDT chemistry and its applications toward in situ engineering and analysis of native proteins in living systems. Current limitations and future challenges of this area are also described. Copyright © 2014 Elsevier Ltd. All rights reserved.

Assessment of EPRI water chemistry guidelines for new nuclear power plants

International Nuclear Information System (INIS)

Reid Richard; Kim Karen; McCree, Anisa; Eaker, Richard; Sawochka, Steve; Giannelli, Joe

2012-09-01

Water chemistry control technologies for nuclear power plants have been significantly enhanced over the past few decades to improve material and equipment reliability and fuel performance, and to minimize radionuclide production and transport. Chemistry Guidelines have been developed by the Electric Power Research Institute (EPRI) for currently operating plants and have been intermittently revised over the past twenty-five years for the protection of systems and components and for radiation management. As new plants are being designed for improved safety and increased power production, it is important to ensure that the designs consider implementation of state-of-the-art, industry developed water chemistry controls. In parallel, the industry will need to consider and update water chemistry guidelines as well as plant startup and operational strategies based on the advanced plant designs. EPRI has performed assessments of water chemistry control guidance or assumptions provided in design and licensing documents for several advanced plant designs. These designs include: Westinghouse AP1000 Pressurized Water Reactor AREVA US-EPR Pressurized Water Reactor Mitsubishi Nuclear Energy Systems/Mitsubishi Heavy Industries Advanced Pressurized Water Reactor Korea Hydro and Nuclear Power APR1400 Pressurized Water Reactor Toshiba Advanced Boiling Water Reactor (ABWR) General Electric-Hitachi Economic Simplified Boiling Water Reactor (ESBWR) The intent of these assessments was to identify key design differences in each of the new plant designs relative to the current operating fleet and to identify differences in water chemistry specifications or design assumptions provided in design and licensing documents for the plants in comparison to current EPRI Water Chemistry Guidelines. This paper provides a summary of the key results of these assessments. The fundamental design and operation of the advanced plants is similar to the currently operating fleet. As such, the new plants are

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

Science.gov (United States)

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

2013-07-01

solution chemistry (AGW only). The model matched observed bacterial breakthrough curves well. Although limitations exist in the application of a semi-reactive microbial transport model, this method represents one step towards a more realistic model of bacterial transport in complex microbial-water-soil systems. Copyright © 2013 Elsevier B.V. All rights reserved.

Solution chemistry

Energy Technology Data Exchange (ETDEWEB)

None

1973-07-01

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

Recent experience in water chemistry control at PWR plants

International Nuclear Information System (INIS)

Makino, Ichiro

2000-01-01

At present, 23 units of PWRs are under operation in all of Japan, among which 11 units are operated by the Kansai Electric Power Co., Inc. (KEP). Plant availability in KEP's PWRs has been improved for the past several years, through their successive stable operation. Recently, a focus is given not only to maintenance of plant integrity, but also to preventive maintenance and water chemistry control. Various measures have been carried out to enhance exposure reduction of the primary water chemistry control in the Japanese PWRs. As a result, environmental dose equivalent rate is decreasing. A secondary system is now under excellent condition because of application of diversified measures for prevention of the SG tube corrosion. At present, the water chemistry control measures which take into account of efficient chemistry control and plant aging deterioration prevention, are being examined to use for both primary and secondary systems in Japanese PWRs, to further enhance their plant integrity and availability. And, some of them are currently being actually applied. (G.K.)

Chemistry Dashboard

Science.gov (United States)

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

Radiation chemistry: basic, strategic or tactical science?

International Nuclear Information System (INIS)

Wardman, Peter

1989-01-01

The work of Weiss in the 1930s, particularly with Haber, has only recently been recognized to have implications in biology and medicine. Similarly, research in radiation chemistry and the application of the pulse radiolysis technique, for example, have implications far beyond traditional radiation chemistry. Some examples of such research are discussed against a background of categorization into 'basic', 'strategic' or 'tactical' science. Examples discussed include redox properties of free radicals, and the identification and characterization of nitro radicals as intermediates in drug metabolism. Radical reactions often take place in multicomponent systems, and the techniques of radiation chemistry can be used to probe, for example, events occurring at interfaces in micelles. Industrial processes involving radiation are attracting investment, particularly in Japan. (author)

Annual Report of the Institute of Nuclear Chemistry and Technology 2000

Energy Technology Data Exchange (ETDEWEB)

NONE

2001-06-01

The INCT 2000 Annual Report is the review of scientific activities in all branches being developed in the Institute of Nuclear Chemistry and Technology Warsaw. The studies are connected in general with the following fields: radiation chemistry and physics, radiation technologies, radiochemistry, stable isotopes, nuclear analytical methods, chemistry in general, radiobiology, process engineering, material engineering, structural studies and diagnostics and nucleonic control systems and accelerators.

Annual Report of the Institute of Nuclear Chemistry and Technology 2000

International Nuclear Information System (INIS)

2001-06-01

The INCT 2000 Annual Report is the review of scientific activities in all branches being developed in the Institute of Nuclear Chemistry and Technology Warsaw. The studies are connected in general with the following fields: radiation chemistry and physics, radiation technologies, radiochemistry, stable isotopes, nuclear analytical methods, chemistry in general, radiobiology, process engineering, material engineering, structural studies and diagnostics and nucleonic control systems and accelerators

Materials Chemistry

CERN Document Server

Fahlman, Bradley D

2011-01-01

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

Ion-molecule reactions: their role in radiation chemistry

International Nuclear Information System (INIS)