Secondary water chemistry control practices and results of the Japanese PWR plants

International Nuclear Information System (INIS)

Maeda, Akihiro; Shoda, Yasuhiko; Ishihara, Nobuo; Murata, Kazutoyo; Fujiwara, Hiroyuki; Hayakawa, Hitoshi; Matsuda, Tadashi

2012-09-01

In Japan, since the start of the operation of the first PWR plant, Mihama Unit-1 in 1970, 24 PWR plants have been built by 2010, and all of them are in operation. Due to the plant-specific needs of management, and by flexibly incorporating the state-of-the-art insights into the design, the system configurations of the plants vary so many as 15 types. Meanwhile, the geographical feature of Japan makes all the Japanese PWR plants to have condensers cooled by sea water, and all the plants have a common system with a full-flow Condensate Polisher System (CPS). To prevent corrosion, continued improvements of the secondary water chemistry management has been performed like other countries, and one of the major features of the Japanese PWR plants is an enhanced provision for the condenser leakage. The water quality of SG (Steam Generator) has been significantly improved by the provision for the sea water leakage, in combination with other improvements in water chemistry management. Also in Japan, almost all of the treatments of the spent polisher resin and the wastewater are performed within the power plant sites. To facilitate the treatment of the waste water and the regeneration of the spent resins, either ammonia or ETA (Ethanol Amine) is selected as the pH adjustment agent for the secondary system water. Also at the ammonia treatment, high pH accomplishes the inhibition of the piping wall thinning and the lower iron transportation into SGs. In addition, the iron transported into the SG is removed by the chemical conditioning treatment called ASCA (Advanced Scale Conditioning Agent). This provides the effective recovery of the SG heat-transfer performance, and the improved SG support plate BEC (Broached Egg Crate) hole blockage rates. Basically in Japan, the secondary water chemistry management has been improved based on a single basic specification, for the variety of the plant configurations, with the plant-specific investigations and analyses. This paper summarizes

One-Dimensional Transport with Equilibrium Chemistry (OTEQ) - A Reactive Transport Model for Streams and Rivers

Science.gov (United States)

Runkel, Robert L.

2010-01-01

OTEQ is a mathematical simulation model used to characterize the fate and transport of waterborne solutes in streams and rivers. The model is formed by coupling a solute transport model with a chemical equilibrium submodel. The solute transport model is based on OTIS, a model that considers the physical processes of advection, dispersion, lateral inflow, and transient storage. The equilibrium submodel is based on MINTEQ, a model that considers the speciation and complexation of aqueous species, acid-base reactions, precipitation/dissolution, and sorption. Within OTEQ, reactions in the water column may result in the formation of solid phases (precipitates and sorbed species) that are subject to downstream transport and settling processes. Solid phases on the streambed may also interact with the water column through dissolution and sorption/desorption reactions. Consideration of both mobile (waterborne) and immobile (streambed) solid phases requires a unique set of governing differential equations and solution techniques that are developed herein. The partial differential equations describing physical transport and the algebraic equations describing chemical equilibria are coupled using the sequential iteration approach. The model's ability to simulate pH, precipitation/dissolution, and pH-dependent sorption provides a means of evaluating the complex interactions between instream chemistry and hydrologic transport at the field scale. This report details the development and application of OTEQ. Sections of the report describe model theory, input/output specifications, model applications, and installation instructions. OTEQ may be obtained over the Internet at http://water.usgs.gov/software/OTEQ.

An evaluation of the Cray T3D programming paradigms in atmospheric chemistry/transport models

NARCIS (Netherlands)

J.G. Blom (Joke); C. Keßler (Carsten); J.G. Verwer (Jan)

1996-01-01

textabstractIn this paper we compare the different programming paradigms available on the Cray T3D for the implementation of a 3D prototype of an Atmospheric Chemistry/Transport Model. We discuss the amount of work needed to convert existing codes to the T3D and the portability of the resulting

The terminator "toy" chemistry test: a simple tool to assess errors in transport schemes

Directory of Open Access Journals (Sweden)

P. H. Lauritzen

2015-05-01

Full Text Available This test extends the evaluation of transport schemes from prescribed advection of inert scalars to reactive species. The test consists of transporting two interacting chemical species in the Nair and Lauritzen 2-D idealized flow field. The sources and sinks for these two species are given by a simple, but non-linear, "toy" chemistry that represents combination (X + X → X2 and dissociation (X2 → X + X. This chemistry mimics photolysis-driven conditions near the solar terminator, where strong gradients in the spatial distribution of the species develop near its edge. Despite the large spatial variations in each species, the weighted sum XT = X + 2X2 should always be preserved at spatial scales at which molecular diffusion is excluded. The terminator test demonstrates how well the advection–transport scheme preserves linear correlations. Chemistry–transport (physics–dynamics coupling can also be studied with this test. Examples of the consequences of this test are shown for illustration.

Large-scale tropospheric transport in the Chemistry-Climate Model Initiative (CCMI) simulations

Science.gov (United States)

Orbe, Clara; Yang, Huang; Waugh, Darryn W.; Zeng, Guang; Morgenstern, Olaf; Kinnison, Douglas E.; Lamarque, Jean-Francois; Tilmes, Simone; Plummer, David A.; Scinocca, John F.; Josse, Beatrice; Marecal, Virginie; Jöckel, Patrick; Oman, Luke D.; Strahan, Susan E.; Deushi, Makoto; Tanaka, Taichu Y.; Yoshida, Kohei; Akiyoshi, Hideharu; Yamashita, Yousuke; Stenke, Andreas; Revell, Laura; Sukhodolov, Timofei; Rozanov, Eugene; Pitari, Giovanni; Visioni, Daniele; Stone, Kane A.; Schofield, Robyn; Banerjee, Antara

2018-05-01

Understanding and modeling the large-scale transport of trace gases and aerosols is important for interpreting past (and projecting future) changes in atmospheric composition. Here we show that there are large differences in the global-scale atmospheric transport properties among the models participating in the IGAC SPARC Chemistry-Climate Model Initiative (CCMI). Specifically, we find up to 40 % differences in the transport timescales connecting the Northern Hemisphere (NH) midlatitude surface to the Arctic and to Southern Hemisphere high latitudes, where the mean age ranges between 1.7 and 2.6 years. We show that these differences are related to large differences in vertical transport among the simulations, in particular to differences in parameterized convection over the oceans. While stronger convection over NH midlatitudes is associated with slower transport to the Arctic, stronger convection in the tropics and subtropics is associated with faster interhemispheric transport. We also show that the differences among simulations constrained with fields derived from the same reanalysis products are as large as (and in some cases larger than) the differences among free-running simulations, most likely due to larger differences in parameterized convection. Our results indicate that care must be taken when using simulations constrained with analyzed winds to interpret the influence of meteorology on tropospheric composition.

On interpreting studies of tracer transport by deep cumulus convection and its effects on atmospheric chemistry

Directory of Open Access Journals (Sweden)

M. G. Lawrence

2008-10-01

Full Text Available Global chemistry-transport models (CTMs and chemistry-GCMs (CGCMs generally simulate vertical tracer transport by deep convection separately from the advective transport by the mean winds, even though a component of the mean transport, for instance in the Hadley and Walker cells, occurs in deep convective updrafts. This split treatment of vertical transport has various implications for CTM simulations. In particular, it has led to a misinterpretation of several sensitivity simulations in previous studies in which the parameterized convective transport of one or more tracers is neglected. We describe this issue in terms of simulated fluxes and fractions of these fluxes representing various physical and non-physical processes. We then show that there is a significant overlap between the convective and large-scale mean advective vertical air mass fluxes in the CTM MATCH, and discuss the implications which this has for interpreting previous and future sensitivity simulations, as well as briefly noting other related implications such as numerical diffusion.

Roles of transport and chemistry processes in global ozone change on interannual and multidecadal time scales

Science.gov (United States)

Sekiya, T.; Sudo, K.

2014-04-01

This study investigates ozone changes and the individual impacts of transport and chemistry on those changes. We specifically examine (1) variation related to El Niño Southern Oscillation, which is a dominant mode of interannual variation of tropospheric ozone, and (2) long-term change between the 2000s and 2100s. During El Niño, the simulated ozone shows an increase (1 ppbv/K) over Indonesia, a decrease (2-10 ppbv/K) over the eastern Pacific in the tropical troposphere, and an increase (50 ppbv/K) over the eastern Pacific in the midlatitude lower stratosphere. These variations fundamentally agree with those observed by Microwave Limb Sounder/Tropospheric Emission Spectrometer instruments. The model demonstrates that tropospheric chemistry has a strong impact on the variation over the eastern Pacific in the tropical lower troposphere and that transport dominates the variation in the midlatitude lower stratosphere. Between the 2000s and 2100s, the model predicts an increase in the global burden of stratospheric ozone (0.24%/decade) and a decrease in the global burden of tropospheric ozone (0.82%/decade). The increase in the stratospheric burden is controlled by stratospheric chemistry. Tropospheric chemistry reduces the tropospheric burden by 1.07%/decade. However, transport (i.e., stratosphere-troposphere exchange and tropospheric circulation) causes an increase in the burden (0.25%/decade). Additionally, we test the sensitivity of ozone changes to increased horizontal resolution of the representation of atmospheric circulation and advection apart from any aspects of the nonlinearity of chemistry sensitivity to horizontal resolution. No marked difference is found in medium-resolution or high-resolution simulations, suggesting that the increased horizontal resolution of transport has a minor impact.

Modular coupling of transport and chemistry: theory and model applications

International Nuclear Information System (INIS)

Pfingsten, W.

1994-06-01

For the description of complex processes in the near-field of a radioactive waste repository, the coupling of transport and chemistry is necessary. A reason for the relatively minor use of coupled codes in this area is the high amount of computer time and storage capacity necessary for calculations by conventional codes, and lack of available data. The simple application of the sequentially coupled code MCOTAC, which couples one-dimensional advective, dispersive and diffusive transport with chemical equilibrium complexation and precipitation/dissolution reactions in a porous medium, shows some promising features with respect to applicability to relevant problems. Transport, described by random walk of multi-species particles, and chemical equilibrium calculations are solved separately, coupled only by an exchange term to ensure mass conservation. (For full text of the abstract see 25:072321)

Drone Transport of Chemistry and Hematology Samples Over Long Distances.

Science.gov (United States)

Amukele, Timothy K; Hernandez, James; Snozek, Christine L H; Wyatt, Ryan G; Douglas, Matthew; Amini, Richard; Street, Jeff

2017-11-02

We addressed the stability of biological samples in prolonged drone flights by obtaining paired chemistry and hematology samples from 21 adult volunteers in a single phlebotomy event-84 samples total. Half of the samples were held stationary, while the other samples were flown for 3 hours (258 km) in a custom active cooling box mounted on the drone. After the flight, 19 chemistry and hematology tests were performed. Seventeen analytes had small or no bias, but glucose and potassium in flown samples showed an 8% and 6.2% bias, respectively. The flown samples (mean, 24.8°C) were a mean of 2.5°C cooler than the stationary samples (mean, 27.3°C) during transportation to the flight field as well as during the flight. The changes in glucose and potassium are consistent with the magnitude and duration of the temperature difference between the flown and stationary samples. Long drone flights of biological samples are feasible but require stringent environmental controls to ensure consistent results. © American Society for Clinical Pathology, 2017. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com

Can Unmanned Aerial Systems (Drones Be Used for the Routine Transport of Chemistry, Hematology, and Coagulation Laboratory Specimens?

Directory of Open Access Journals (Sweden)

Timothy K Amukele

Full Text Available Unmanned Aerial Systems (UAS or drones could potentially be used for the routine transport of small goods such as diagnostic clinical laboratory specimens. To the best of our knowledge, there is no published study of the impact of UAS transportation on laboratory tests.Three paired samples were obtained from each one of 56 adult volunteers in a single phlebotomy event (336 samples total: two tubes each for chemistry, hematology, and coagulation testing respectively. 168 samples were driven to the flight field and held stationary. The other 168 samples were flown in the UAS for a range of times, from 6 to 38 minutes. After the flight, 33 of the most common chemistry, hematology, and coagulation tests were performed. Statistical methods as well as performance criteria from four distinct clinical, academic, and regulatory bodies were used to evaluate the results.Results from flown and stationary sample pairs were similar for all 33 analytes. Bias and intercepts were <10% and <13% respectively for all analytes. Bland-Altman comparisons showed a mean difference of 3.2% for Glucose and <1% for other analytes. Only bicarbonate did not meet the strictest (Royal College of Pathologists of Australasia Quality Assurance Program performance criteria. This was due to poor precision rather than bias. There were no systematic differences between laboratory-derived (analytic CV's and the CV's of our flown versus terrestrial sample pairs however CV's from the sample pairs tended to be slightly higher than analytic CV's. The overall concordance, based on clinical stratification (normal versus abnormal, was 97%. Length of flight had no impact on the results.Transportation of laboratory specimens via small UASs does not affect the accuracy of routine chemistry, hematology, and coagulation tests results from selfsame samples. However it results in slightly poorer precision for some analytes.

Can Unmanned Aerial Systems (Drones) Be Used for the Routine Transport of Chemistry, Hematology, and Coagulation Laboratory Specimens?

Science.gov (United States)

Amukele, Timothy K; Sokoll, Lori J; Pepper, Daniel; Howard, Dana P; Street, Jeff

2015-01-01

Unmanned Aerial Systems (UAS or drones) could potentially be used for the routine transport of small goods such as diagnostic clinical laboratory specimens. To the best of our knowledge, there is no published study of the impact of UAS transportation on laboratory tests. Three paired samples were obtained from each one of 56 adult volunteers in a single phlebotomy event (336 samples total): two tubes each for chemistry, hematology, and coagulation testing respectively. 168 samples were driven to the flight field and held stationary. The other 168 samples were flown in the UAS for a range of times, from 6 to 38 minutes. After the flight, 33 of the most common chemistry, hematology, and coagulation tests were performed. Statistical methods as well as performance criteria from four distinct clinical, academic, and regulatory bodies were used to evaluate the results. Results from flown and stationary sample pairs were similar for all 33 analytes. Bias and intercepts were <10% and <13% respectively for all analytes. Bland-Altman comparisons showed a mean difference of 3.2% for Glucose and <1% for other analytes. Only bicarbonate did not meet the strictest (Royal College of Pathologists of Australasia Quality Assurance Program) performance criteria. This was due to poor precision rather than bias. There were no systematic differences between laboratory-derived (analytic) CV's and the CV's of our flown versus terrestrial sample pairs however CV's from the sample pairs tended to be slightly higher than analytic CV's. The overall concordance, based on clinical stratification (normal versus abnormal), was 97%. Length of flight had no impact on the results. Transportation of laboratory specimens via small UASs does not affect the accuracy of routine chemistry, hematology, and coagulation tests results from selfsame samples. However it results in slightly poorer precision for some analytes.

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

Science.gov (United States)

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

2017-12-01

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

Implications of Lagrangian transport for coupled chemistry-climate simulations

Science.gov (United States)

Stenke, A.; Dameris, M.; Grewe, V.; Garny, H.

2008-10-01

For the first time a purely Lagrangian transport algorithm is applied in a fully coupled chemistry-climate model (CCM). We use the Lagrangian scheme ATTILA for the transport of water vapour, cloud water and chemical trace species in the ECHAM4.L39(DLR)/CHEM (E39C) CCM. The advantage of the Lagrangian approach is that it is numerically non-diffusive and therefore maintains steeper and more realistic gradients than the operational semi-Lagrangian transport scheme. In case of radiatively active species changes in the simulated distributions feed back to model dynamics which in turn affect the modelled transport. The implications of the Lagrangian transport scheme for stratospheric model dynamics and tracer distributions in the upgraded model version E39C-ATTILA (E39C-A) are evaluated by comparison with observations and results of the E39C model with the operational semi-Lagrangian advection scheme. We find that several deficiencies in stratospheric dynamics in E39C seem to originate from a pronounced modelled wet bias and an associated cold bias in the extra-tropical lowermost stratosphere. The reduction of the simulated moisture and temperature bias in E39C-A leads to a significant advancement of stratospheric dynamics in terms of the mean state as well as annual and interannual variability. As a consequence of the favourable numerical characteristics of the Lagrangian transport scheme and the improved model dynamics, E39C-A generally shows more realistic stratospheric tracer distributions: Compared to E39C high stratospheric chlorine (Cly) concentrations extend further downward and agree now well with analyses derived from observations. Therefore E39C-A realistically covers the altitude of maximum ozone depletion in the stratosphere. The location of the ozonopause, i.e. the transition from low tropospheric to high stratospheric ozone values, is also clearly improved in E39C-A. Furthermore, the simulated temporal evolution of stratospheric Cly in the past is

Waste Preparation and Transport Chemistry: Results of the FY 2001 Studies

Energy Technology Data Exchange (ETDEWEB)

Hunt, R.D.

2002-03-25

of researchers from AEA Technology, Florida International University (FIU), Fluor Hanford, Mississippi State University (MSU), Oak Ridge National Laboratory (ORNL), and Savannah River Technology Center (SRTC) to evaluate various aspects of the waste preparation and transport chemistry. The majority of this effort was focused on saltcake dissolution and saltwell pumping. The results of the AEA Technology, FIU, and MSU studies of saltcake dissolution and slurry transfers for Hanford are discussed in detail in a companion report prepared by T. D. Welch in 2001 (ORNIJTM-2001097). Staff members at Fluor Hanford have continued to conduct saltcake dissolution tests on actual tank waste (documented in reports prepared by D. L. Herting in 2000 and 2001). It should be noted that full-scale saltcake dissolution at Hanford is scheduled to begin in FY 2002. While the Hanford effort is focused on the transfer of waste from one tank to another, the objective of the SRTC study is the formation of aluminosilicates at elevated temperatures, which are present in the waste evaporator.

Implementation and evaluation of pH-dependent cloud chemistry and wetdeposition in the chemical transport model REM-Calgrid

NARCIS (Netherlands)

Banzhaf, S.; Schaap, M.; Kerschbaumer, A.; Reimer, E.; Stern, R.; Swaluw, E. van der; Builtjes, P.

2012-01-01

The Chemistry Transport Model REM-Calgrid (RCG) has been improved by implementing an enhanced description of aqueous-phase chemistry and wet deposition processes including droplet pH. A sensitivity study on cloud and rain droplet pH has been performed to investigate its impact on model sulphate

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.

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.

Modular coupling of transport and chemistry: theory and model applications

International Nuclear Information System (INIS)

Pfingsten, W.

1994-06-01

For the description of complex processes in the near-field of a radioactive waste repository, the coupling of transport and chemistry is necessary. A reason for the relatively minor use of coupled codes in this area is the high amount of computer time and storage capacity necessary for calculations by conventional codes, and lack of available data. The simple application of the sequentially coupled code MCOTAC, which couples one-dimensional advective, dispersive and diffusive transport with chemical equilibrium complexation and precipitation/dissolution reactions in a porous medium, shows some promising features with respect to applicability to relevant problems. Transport, described by a random walk of multi-species particles, and chemical equilibrium calculations are solved separately, coupled only by an exchange term to ensure mass conservation. The modular-structured code was applied to three problems: a) incongruent dissolution of hydrated silicate gels, b) dissolution of portlandite and c) calcite dissolution and hypothetical dolomite precipitation. This allows for a comparison with other codes and their applications. The incongruent dissolution of cement phases, important for degradation of cementitious materials in a repository, can be included in the model without the problems which occur with a directly coupled code. The handling of a sharp multi-mineral front system showed a much faster calculation time compared to a directly coupled code application. Altogether, the results are in good agreement with other code calculations. Hence, the chosen modular concept of MCOTAC is more open to an easy extension of the code to include additional processes like sorption, kinetically controlled processes, transport in two or three spatial dimensions, and adaptation to new developments in computing (hardware and software), an important factor for applicability. (author) figs., tabs., refs

Meso-scale modeling of air pollution transport/chemistry/deposition and its application

International Nuclear Information System (INIS)

Kitada, Toshihiro

2007-01-01

Transport/chemistry/deposition model for atmospheric trace chemical species is now regarded as an important tool for an understanding of the effects of various human activities, such as fuel combustion and deforestation, on human health, eco-system, and climate and for planning of appropriate control of emission sources. Several 'comprehensive' models have been proposed such as RADM (Chang, et al., 1987), STEM-II (Carmichael, et al., 1986), and CMAQ (Community Multi-scale Air Quality model, e.g., EPA website, 2003); the 'comprehensive' models include not only gas/aerosol phase chemistry but also aqueous phase chemistry in cloud/rain water in addition to the processes of advection, diffusion, wet deposition (mass transfer between aqueous and gas/aerosol phases), and dry deposition. The target of the development of the 'comprehensive' model will be that the model can correctly reproduce mass balance of various chemical species in the atmosphere with keeping adequate accuracy for calculated concentration distributions of chemical species. For the purpose, one of the important problems is a reliable wet deposition modeling, and here, we introduce two types of methods of 'cloud-resolving' and 'non-cloud-resolving' modeling for the wet deposition of pollutants. (author)

C1 Chemistry for the Production of Ultra-Clean Liquid Transportation Fuels and Hydrogen

Energy Technology Data Exchange (ETDEWEB)

Gerald P. Huffman

2005-03-31

Faculty and students from five universities--the University of Kentucky, University of Pittsburgh, University of Utah, West Virginia University, and Auburn University--are collaborating in a research program to develop C1 chemistry processes to produce ultra-clean liquid transportation fuels and hydrogen, the zero-emissions transportation fuel of the future. The feedstocks contain one carbon atom per molecular unit. They include synthesis gas (syngas), a mixture of carbon monoxide and hydrogen produced by coal gasification or reforming of natural gas, methane, methanol, carbon dioxide, and carbon monoxide. An important objective is to develop C1 technology for the production of liquid transportation fuel and hydrogen from domestically plentiful resources such as coal, coalbed methane, and natural gas. An Industrial Advisory Board with representatives from Chevron-Texaco, Eastman Chemical, Conoco-Phillips, the Air Force Research Laboratory, the U.S. Army National Automotive Center (Tank & Automotive Command--TACOM), and Tier Associates provides guidance on the practicality of the research. The current report presents results obtained in this research program during the six months of the subject contract from October 1, 2002 through March 31, 2003. The results are presented in thirteen detailed reports on research projects headed by various faculty members at each of the five CFFS Universities. Additionally, an Executive Summary has been prepared that summarizes the principal results of all of these projects during the six-month reporting period.

Pitfalls in the Interpretation of Blood Chemistry Results*

African Journals Online (AJOL)

1971-10-30

Oct 30, 1971 ... Apparently abnormal blood chemistry results may be caused by many factors other ... healthy persons and those with a particular disease. Difference between .... abnormal results. If the discrepancy is gross, the cause may.

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.

Evaluation of the MOCAGE Chemistry Transport Model during the ICARTT/ITOP Experiment

Science.gov (United States)

Bousserez, N.; Attie, J. L.; Peuch, V. H.; Michou, M.; Pfister, G.; Edwards, D.; Emmons, L.; Arnold, S.; Heckel, A.; Richter, A.;

Water chemistry and behavior of materials in PWRs and BWRs

Energy Technology Data Exchange (ETDEWEB)

Aaltonen, P; Hanninen, H [VTT Manufacturing Technology, Espoo (Finland)

1997-09-01

Water chemistry plays a major role in corrosion and in activity transport in NPP`s. Although a full understanding of all mechanisms involved in corrosion does not exist, controlling of the water chemistry has achieved good results in recent years. Water chemistry impacts upon the operational safety of LWR`s in two main ways: integrity of pressure boundary materials and, activity transport and out-of-core radiation fields. This paper will describe application of water chemistry control in operating reactors to prevent corrosion. Some problems experienced in LWR`s will be reviewed for the design of the nuclear heating reactors (NHR). (author). 18 refs, 10 figs, 5 tabs.

Water chemistry and behavior of materials in PWRs and BWRs

International Nuclear Information System (INIS)

Aaltonen, P.; Hanninen, H.

1997-01-01

Water chemistry plays a major role in corrosion and in activity transport in NPP's. Although a full understanding of all mechanisms involved in corrosion does not exist, controlling of the water chemistry has achieved good results in recent years. Water chemistry impacts upon the operational safety of LWR's in two main ways: integrity of pressure boundary materials and, activity transport and out-of-core radiation fields. This paper will describe application of water chemistry control in operating reactors to prevent corrosion. Some problems experienced in LWR's will be reviewed for the design of the nuclear heating reactors (NHR). (author). 18 refs, 10 figs, 5 tabs

Chemistry and transport of pollution over the Gulf of Mexico and the Pacific: spring 2006 INTEX-B campaign overview and first results

Directory of Open Access Journals (Sweden)

H. B. Singh

2009-04-01

Full Text Available Intercontinental Chemical Transport Experiment-B (INTEX-B was a major NASA (Acronyms are provided in Appendix A. led multi-partner atmospheric field campaign completed in the spring of 2006 (http://cloud1.arc.nasa.gov/intex-b/. Its major objectives aimed at (i investigating the extent and persistence of the outflow of pollution from Mexico; (ii understanding transport and evolution of Asian pollution and implications for air quality and climate across western North America; and (iii validating space-borne observations of tropospheric composition. INTEX-B was performed in two phases. In its first phase (1–21 March, INTEX-B operated as part of the MILAGRO campaign with a focus on observations over Mexico and the Gulf of Mexico. In the second phase (17 April–15 May, the main INTEX-B focus was on trans-Pacific Asian pollution transport. Multiple airborne platforms carrying state of the art chemistry and radiation payloads were flown in concert with satellites and ground stations during the two phases of INTEX-B. Validation of Aura satellite instruments (TES, OMI, MLS, HIRDLS was a key objective within INTEX-B. Satellite products along with meteorological and 3-D chemical transport model forecasts were integrated into the flight planning process to allow targeted sampling of air parcels. Inter-comparisons were performed among and between aircraft payloads to quantify the accuracy of data and to create a unified data set. Pollution plumes were sampled over the Gulf of Mexico and the Pacific several days after downwind transport from source regions. Signatures of Asian pollution were routinely detected by INTEX-B aircraft, providing a valuable data set on gas and aerosol composition to test models and evaluate pathways of pollution transport and their impact on air quality and climate. This overview provides details about campaign implementation and a context within which the present

Report of scientific results 1976. Section nuclear chemistry and reactor

International Nuclear Information System (INIS)

1976-01-01

The report of the section Nuclear Chemistry and Reactor presents the results of R and D in the fields of neutron scattering, radiation damage in solids, reactor chemistry, trace elements research in biomedicine, geochemistry, reactor operation, radioisotope production, and gives a survey of publications and lectures. (HK) [de

C1 CHEMISTRY FOR THE PRODUCTION OF ULTRA-CLEAN LIQUID TRANSPORTATION FUELS AND HYDROGEN

Energy Technology Data Exchange (ETDEWEB)

Gerald P. Huffman

2004-09-30

The Consortium for Fossil Fuel Science (CFFS) is a research consortium with participants from the University of Kentucky, University of Pittsburgh, West Virginia University, University of Utah, and Auburn University. The CFFS is conducting a research program to develop C1 chemistry technology for the production of clean transportation fuel from resources such as coal and natural gas, which are more plentiful domestically than petroleum. The processes under development will convert feedstocks containing one carbon atom per molecular unit into ultra clean liquid transportation fuels (gasoline, diesel, and jet fuel) and hydrogen, which many believe will be the transportation fuel of the future. Feedstocks include synthesis gas, a mixture of carbon monoxide and hydrogen produced by coal gasification, coalbed methane, light products produced by Fischer-Tropsch (FT) synthesis, methanol, and natural gas.

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

Energy Technology Data Exchange (ETDEWEB)

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

1997-06-01

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

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

International Nuclear Information System (INIS)

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

1997-06-01

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

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

Transient groundwater chemistry near a river: Effects on U(VI) transport in laboratory column experiments

Science.gov (United States)

Yin, Jun; Haggerty, Roy; Stoliker, Deborah L.; Kent, Douglas B.; Istok, Jonathan D.; Greskowiak, Janek; Zachara, John M.

2011-01-01

In the 300 Area of a U(VI)-contaminated aquifer at Hanford, Washington, USA, inorganic carbon and major cations, which have large impacts on U(VI) transport, change on an hourly and seasonal basis near the Columbia River. Batch and column experiments were conducted to investigate the factors controlling U(VI) adsorption/desorption by changing chemical conditions over time. Low alkalinity and low Ca concentrations (Columbia River water) enhanced adsorption and reduced aqueous concentrations. Conversely, high alkalinity and high Ca concentrations (Hanford groundwater) reduced adsorption and increased aqueous concentrations of U(VI). An equilibrium surface complexation model calibrated using laboratory batch experiments accounted for the decrease in U(VI) adsorption observed with increasing (bi)carbonate concentrations and other aqueous chemical conditions. In the column experiment, alternating pulses of river and groundwater caused swings in aqueous U(VI) concentration. A multispecies multirate surface complexation reactive transport model simulated most of the major U(VI) changes in two column experiments. The modeling results also indicated that U(VI) transport in the studied sediment could be simulated by using a single kinetic rate without loss of accuracy in the simulations. Moreover, the capability of the model to predict U(VI) transport in Hanford groundwater under transient chemical conditions depends significantly on the knowledge of real-time change of local groundwater chemistry.

Simulation with Phast of the pore water chemistry experiment results (Mont Terri Url, Switzerland), including transport, thermodynamics, kinetics, and biological activity

International Nuclear Information System (INIS)

Tournassat, C.; Gaucher, E.; Pearson, F.J.; Mettler, S.; Wersin, P.

2005-01-01

Full text of publication follows: The Pore water Chemistry (PC-)experiment was initially designed to determine the processes that control the redox properties of pore water in the Opalinus Clay at the Mont Terri URL. However, changes in isotopic data and chemical parameters such as pH, alkalinity, dissolved methane, acetate and sulphate concentrations indicated unexpected microbial activity. The origin of the bacteria is not clear. In the light of published data, an indigenous origin cannot be ruled out. A combined biological and reactive transport model has been developed with the parallel PHAST software to simulate the processes that determine pore water chemistry. The influence of bacterial activity on the system is successfully modelled by considering different reaction pathways scenarios including aceto-genesis, methano-genesis, and methane/acetate oxidation coupled to sulphate reduction. Several conclusions can be clearly stated in the light of the simulation results: - The measured redox potentials (redox electrode) are in line with the S(-II)/S(+VI) redox system. - In the undisturbed pore water, S(-II) and S(+VI) activities are controlled by a mineral assemblage containing pyrite and a Fe carbonate (siderite or ankerite). pH is buffered by mineral phases and SO 4 2- concentration is inherited from the marine sedimentary rock. - Some local redox potentials in the sedimentary rock do not correspond to the measured redox potential; for instance, organic matter/HCO 3 - and CH 4 /HCO 3 - systems are not at equilibrium with the measured redox potential. - Redox disequilibrium can be exploited by micro-organisms as a source of energy for their metabolism. In this experiment CH 4 , acetate and other organic acids were produced and SO 4 2- was reduced to HS - . The redox properties of the system are then governed by kinetics rather than by thermodynamic equilibrium. The unexpected persistence of acetate in the borehole water is one of the consequences of these

Production and transport chemistry of atomic fluorine in remote plasma source and cylindrical reaction chamber

International Nuclear Information System (INIS)

Gangoli, S P; Johnson, A D; Fridman, A A; Pearce, R V; Gutsol, A F; Dolgopolsky, A

2007-01-01

Increasingly, NF 3 -based plasmas are being used in semiconductor manufacturing to clean chemical vapour deposition (CVD) chambers. With advantages such as faster clean times, substantially lower emissions of gases having high global warming potentials, and reduced chamber damage, NF 3 plasmas are now favoured over fluorocarbon-based processes. Typically, a remote plasma source (RPS) is used to dissociate the NF 3 gas and produce atomic fluorine that etches the CVD residues from the chamber surfaces. However, it is important to efficiently transport F atoms from the plasma source into the process chamber. The current work is aimed at understanding and improving the key processes involved in the production and transport of atomic fluorine atoms. A zero-dimensional model of NF 3 dissociation and F production chemistry in the RPS is developed based on various known and derived plasma parameters. Additionally, a model describing the transport of atomic fluorine is proposed that includes both physical (diffusion, adsorption and desorption) and chemical processes (surface and three-body volume recombination). The kinetic model provides an understanding of the impact of chamber geometry, gas flow rates, pressure and temperature on fluorine recombination. The plasma-kinetic model is validated by comparing model predictions (percentage F atom density) with experimental results (etch rates)

Modelling the urban air quality in Hamburg with the new city-scale chemistry transport model CityChem

Science.gov (United States)

Karl, Matthias; Ramacher, Martin; Aulinger, Armin; Matthias, Volker; Quante, Markus

2017-04-01

Air quality modelling plays an important role by providing guidelines for efficient air pollution abatement measures. Currently, most urban dispersion models treat air pollutants as passive tracer substances or use highly simplified chemistry when simulating air pollutant concentrations on the city-scale. The newly developed urban chemistry-transport model CityChem has the capability of modelling the photochemical transformation of multiple pollutants along with atmospheric diffusion to produce pollutant concentration fields for the entire city on a horizontal resolution of 100 m or even finer and a vertical resolution of 24 layers up to 4000 m height. CityChem is based on the Eulerian urban dispersion model EPISODE of the Norwegian Institute for Air Research (NILU). CityChem treats the complex photochemistry in cities using detailed EMEP chemistry on an Eulerian 3-D grid, while using simple photo-stationary equilibrium on a much higher resolution grid (receptor grid), i.e. close to industrial point sources and traffic sources. The CityChem model takes into account that long-range transport contributes to urban pollutant concentrations. This is done by using 3-D boundary concentrations for the city domain derived from chemistry-transport simulations with the regional air quality model CMAQ. For the study of the air quality in Hamburg, CityChem was set-up with a main grid of 30×30 grid cells of 1×1 km2 each and a receptor grid of 300×300 grid cells of 100×100 m2. The CityChem model was driven with meteorological data generated by the prognostic meteorology component of the Australian chemistry-transport model TAPM. Bottom-up inventories of emissions from traffic, industry, households were based on data of the municipality of Hamburg. Shipping emissions for the port of Hamburg were taken from the Clean North Sea Shipping project. Episodes with elevated ozone (O3) were of specific interest for this study, as these are associated with exceedances of the World

Climatology of the Aerosol Optical Depth by Components from the Multi-Angle Imaging Spectroradiometer (MISR) and Chemistry Transport Models

Science.gov (United States)

Lee, Huikyo; Kalashnikova, Olga V.; Suzuki, Kentaroh; Braverman, Amy; Garay, Michael J.; Kahn, Ralph A.

2016-01-01

The Multi-angle Imaging Spectroradiometer (MISR) Joint Aerosol (JOINT_AS) Level 3 product has provided a global, descriptive summary of MISR Level 2 aerosol optical depth (AOD) and aerosol type information for each month over 16+ years since March 2000. Using Version 1 of JOINT_AS, which is based on the operational (Version 22) MISR Level 2 aerosol product, this study analyzes, for the first time, characteristics of observed and simulated distributions of AOD for three broad classes of aerosols: spherical nonabsorbing, spherical absorbing, and nonspherical - near or downwind of their major source regions. The statistical moments (means, standard deviations, and skew-nesses) and distributions of AOD by components derived from the JOINT_AS are compared with results from two chemistry transport models (CTMs), the Goddard Chemistry Aerosol Radiation and Transport (GOCART) and SPectral RadIatioN-TrAnSport (SPRINTARS). Overall, the AOD distributions retrieved from MISR and modeled by GOCART and SPRINTARS agree with each other in a qualitative sense. Marginal distributions of AOD for each aerosol type in both MISR and models show considerable high positive skewness, which indicates the importance of including extreme AOD events when comparing satellite retrievals with models. The MISR JOINT_AS product will greatly facilitate comparisons between satellite observations and model simulations of aerosols by type.

Numerical Verification Of Equilibrium Chemistry

International Nuclear Information System (INIS)

Piro, Markus; Lewis, Brent; Thompson, William T.; Simunovic, Srdjan; Besmann, Theodore M.

2010-01-01

A numerical tool is in an advanced state of development to compute the equilibrium compositions of phases and their proportions in multi-component systems of importance to the nuclear industry. The resulting software is being conceived for direct integration into large multi-physics fuel performance codes, particularly for providing boundary conditions in heat and mass transport modules. However, any numerical errors produced in equilibrium chemistry computations will be propagated in subsequent heat and mass transport calculations, thus falsely predicting nuclear fuel behaviour. The necessity for a reliable method to numerically verify chemical equilibrium computations is emphasized by the requirement to handle the very large number of elements necessary to capture the entire fission product inventory. A simple, reliable and comprehensive numerical verification method is presented which can be invoked by any equilibrium chemistry solver for quality assurance purposes.

PWR water chemistry controls: a perspective on industry initiatives and trends relative to operating experience and the EPRI PWR water chemistry guidelines

International Nuclear Information System (INIS)

Fruzzetti, K.; Choi, S.; Haas, C.; Pender, M.; Perkins, D.

2010-01-01

An effective PWR water chemistry control program must address the following goals: Minimize materials degradation (e.g., PWSCC, corrosion of fuel, corrosion damage of steam generator (SG) tubes); Maintain fuel integrity and good performance; Minimize corrosion product transport (e.g., transport and deposition on the fuel, transport into the SGs where it can foul tube surfaces and create crevice environments for the concentration of corrosive impurities); Minimize dose rates. Water chemistry control must be optimized to provide overall improvement considering the sometimes variant constraints of the goals listed above. New technologies are developed for continued mitigation of materials degradation, continued fuel integrity and good performance, continued reduction of corrosion product transport, and continued minimization of plant dose rates. The EPRI chemistry program, in coordination with other EPRI programs, strives to improve these areas through application of chemistry initiatives, focusing on these goals. This paper highlights the major initiatives and issues with respect to PWR primary and secondary system chemistry and outlines the recent, on-going, and proposed work to effectively address them. These initiatives are presented in light of recent operating experience, as derived from EPRI's PWR chemistry monitoring and assessment program, and EPRI's water chemistry guidelines. (author)

Recent results from the MIT in-core experiments on coolant chemistry

International Nuclear Information System (INIS)

Harling, O.K.; Kohse, G.E.; Cabello, E.C.; Bernard, J.A.

1993-01-01

This paper reports results from an ongoing series of in-core experiments that have been conducted at the 5-MW(thermal) MIT Research Reactor (MITR-II) for optimizing coolant chemistries in light water reactors. Four experiments are in progress, including a pressurized coolant chemistry loop (PCCL), a boiling coolant chemistry loop (BCCL), a facility for the study of irradiation-assisted stress-corrosion cracking, and one for the evaluation of in situ sensors for the monitoring of crack propagation in metal (SENSOR). The first two have now been fully operational for several years. The latter two are scheduled to begin regular operation later this year

Transport of oxidized multi-walled carbon nanotubes through silica based porous media: influences of aquatic chemistry, surface chemistry, and natural organic matter.

Science.gov (United States)

Yang, Jin; Bitter, Julie L; Smith, Billy A; Fairbrother, D Howard; Ball, William P

2013-12-17

This paper provides results from studies of the transport of oxidized multi-walled carbon nanotubes (O-MWCNTs) of varying surface oxygen concentrations under a range of aquatic conditions and through uniform silica glass bead media. In the presence of Na(+), the required ionic strength (IS) for maximum particle attachment efficiency (i.e., the critical deposition concentration, or CDC) increased as the surface oxygen concentration of the O-MWCNTs or pH increased, following qualitative tenets of theories based on electrostatic interactions. In the presence of Ca(2+), CDC values were lower than those with Na(+) present, but were no longer sensitive to surface oxygen content, suggesting that Ca(2+) impacts the interactions between O-MWCNTs and glass beads by mechanisms other than electrostatic alone. The presence of Suwannee River natural organic matter (SRNOM) decreased the attachment efficiency of O-MWCNTs in the presence of either Na(+) or Ca(2+), but with more pronounced effects when Na(+) was present. Nevertheless, low concentrations of SRNOM (organic carbon) were sufficient to mobilize all O-MWCNTs studied at CaCl2 concentrations as high as 10 mM. Overall, this study reveals that NOM content, pH, and cation type show more importance than surface chemistry in affecting O-MWCNTs deposition during transport through silica-based porous media.

Effects of two types of medical contrast media on routine chemistry results by three automated chemistry analyzers.

Science.gov (United States)

Park, Yu Jin; Rim, John Hoon; Yim, Jisook; Lee, Sang-Guk; Kim, Jeong-Ho

2017-08-01

The use of iodinated contrast media has grown in popularity in the past two decades, but relatively little attention has been paid to the possible interferential effects of contrast media on laboratory test results. Herein, we investigate medical contrast media interference with routine chemistry results obtained by three automated chemistry analyzers. Ten levels of pooled serum were used in the study. Two types of medical contrast media [Iopamiro (iopamidol) and Omnipaque (iohexol)] were evaluated. To evaluate the dose-dependent effects of the contrast media, iopamidol and iohexol were spiked separately into aliquots of serum for final concentrations of 1.8%, 3.6%, 5.5%, 7.3%, and 9.1%. The 28 analytes included in the routine chemistry panel were measured by using Hitachi 7600, AU5800, and Cobas c702 analyzers. We calculated the delta percentage difference (DPD) between the samples and the control, and examined dose-dependent trends. When the mean DPD values were compared with the reference cut-off criteria, the only uniformly interferential effect observed for all analyzers was in total protein with iopamidol. Two additional analytes that showed trends toward interferential effects only in few analyzers and exceeded the limits of the allowable error were the serum iron and the total CO 2 . The other combinations of analyzer and contrast showed no consistent dose-dependent propensity for change in any analyte level. Our study suggests that many of the analytes included in routine chemistry results, except total protein and serum iron, are not significantly affected by iopamidol and iohexol. These results suggest that it would be beneficial to apply a flexible medical evaluation process for patients requiring both laboratory tests and imaging studies, minimizing the need for strict regulations for sequential tests. Copyright © 2017 The Canadian Society of Clinical Chemists. Published by Elsevier Inc. All rights reserved.

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

Science.gov (United States)

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

Investigation of silicate surface chemistry and reaction mechanisms associated with mass transport in geologic media

International Nuclear Information System (INIS)

White, A.F.; Perry, D.L.

1982-01-01

The concentration and rate of transport of radionuclides through geologic media can be strongly influenced by the extent of sorption on aquifer surfaces. Over time intervals relevant to such transport processes, rock and mineral surfaces cannot be considered as inert, unreactive substrates but rather as groundwater/solidphase interfaces which are commonly in a state of natural or artificially induced disequilibrium. The goal of the present research is to define experimentally the type of water/rock interactions that will influence surface chemistry and hence sorption characteristics and capacities of natural aquifers. As wide a range of silicate minerals as possible was selected for study to represent rock-forming minerals in basalt, tuff, and granite. The minerals include K-feldspar, plagioclase feldspar, olivine, hornblende, biotite, and volcanic glass

Results and progress of fundamental research on fission product chemistry. Progress report in 2015

International Nuclear Information System (INIS)

Osaka, Masahiko; Miwa, Shuhei; Nakajima, Kunihisa; Di Lemma, Fidelma Giulia; Suzuki, Chikashi; Miyahara, Naoya; Kobata, Masaaki; Okane, Tetsuo; Suzuki, Eriko

2016-12-01

A fundamental research program on fission product (FP) chemistry has been conducted since 2012 in order to establish a FP chemistry database in LWR under severe accidents and to improve FP chemical models based on the database. Research outputs are reflected as fundamental knowledge to both the R and D of decommissioning of Fukushima Daiichi Nuclear Power Station (1F) and enhancement of LWR safety. Four research items have thus been established considering the specific issues of 1F and the priority in the source term research area, as follows: effects of boron (B) release kinetics and thermal-hydraulic conditions on FP behavior, cesium (Cs) chemisorption and reactions with structural materials, enlargement of a thermodynamic and thermophysical properties database for FP compounds and development of experimental and analytical techniques for the reproduction of FP behavior and for direct measurement methods of chemical form of FP compounds. In this report, the research results and progress for the year 2015 are described. The main accomplishment was the installation of a reproductive test facility for FP release and transport behavior. Moreover, basic knowledge about the Cs chemisorption behavior was also obtained. In addition to the four research items, a further research item is being considered for deeper interpretation of FP behavior by the analysis of samples outside of the 1F units. (author)

Isotope and Nuclear Chemistry Division annual report, FY 1983

International Nuclear Information System (INIS)

Heiken, J.H.; Lindberg, H.A.

1984-05-01

This report describes progress in the major research and development programs carried out in FY 1983 by the Isotope and Nuclear Chemistry Division. It covers radiochemical diagnostics of weapons tests; weapons radiochemical diagnostics research and development; other unclassified weapons research; stable and radioactive isotope production, separation, and applications (including biomedical applications); element and isotope transport and fixation; actinide and transition metal chemistry; structural chemistry, spectroscopy, and applications; nuclear structure and reactions; irradiation facilities; advanced analytical techniques; development and applications; atmospheric chemistry and transport; and earth and planetary processes

Isotope and Nuclear Chemistry Division annual report, FY 1983

Energy Technology Data Exchange (ETDEWEB)

Heiken, J.H.; Lindberg, H.A. (eds.)

1984-05-01

This report describes progress in the major research and development programs carried out in FY 1983 by the Isotope and Nuclear Chemistry Division. It covers radiochemical diagnostics of weapons tests; weapons radiochemical diagnostics research and development; other unclassified weapons research; stable and radioactive isotope production, separation, and applications (including biomedical applications); element and isotope transport and fixation; actinide and transition metal chemistry; structural chemistry, spectroscopy, and applications; nuclear structure and reactions; irradiation facilities; advanced analytical techniques; development and applications; atmospheric chemistry and transport; and earth and planetary processes.

Isotope and Nuclear Chemistry Division annual report, FY 1984

International Nuclear Information System (INIS)

Heiken, J.H.

1985-04-01

This report describes progress in the major research and development programs carried out in FY 1984 by the Isotope and Nuclear Chemistry Division. It covers radiochemical diagnostics of weapons tests; weapons radiochemical diagnostics research and development; other unclassified weapons research; stable and radioactive isotope production, separation, and applications (including biomedical applications); element and isotope transport and fixation; actinide and transition metal chemistry; structural chemistry, spectroscopy, and applications; nuclear structure and reactions; irradiation facilities; advanced analytical techniques: development and applications; atmospheric chemistry and transport; and earth and planetary processes. 287 refs

UV spectroscopy applied to stratospheric chemistry, methods and results

Energy Technology Data Exchange (ETDEWEB)

Karlsen, K.

1996-03-01

The publication from the Norwegian Institute for Air Research (NILU) deals with an investigation done on stratospheric chemistry by UV spectroscopy. The scientific goals are briefly discussed, and it gives the results from the measuring and analysing techniques used in the investigation. 6 refs., 11 figs.

Titan's organic chemistry: Results of simulation experiments

Science.gov (United States)

Sagan, Carl; Thompson, W. Reid; Khare, Bishun N.

1992-01-01

Recent low pressure continuous low plasma discharge simulations of the auroral electron driven organic chemistry in Titan's mesosphere are reviewed. These simulations yielded results in good accord with Voyager observations of gas phase organic species. Optical constants of the brownish solid tholins produced in similar experiments are in good accord with Voyager observations of the Titan haze. Titan tholins are rich in prebiotic organic constituents; the Huygens entry probe may shed light on some of the processes that led to the origin of life on Earth.

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

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

Science.gov (United States)

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

Dynamic combinatorial chemistry to identify binders of ThiT, an S-component of the energy-coupling factor transporter for thiamine

NARCIS (Netherlands)

Monjas, Leticia; Swier, Lotteke J Y M; Setyawati, Inda; Slotboom, Dirk Jan; Hirsch, Anna Katharina Herta

2017-01-01

We applied dynamic combinatorial chemistry (DCC) to identify ligands of ThiT, the S-component of the energy-coupling factor (ECF) transporter for thiamine in Lactococcus lactis. We used a pre-equilibrated dynamic combinatorial library (DCL) and saturation-transfer difference (STD) NMR spectroscopy

Impact of a future H2-based road transportation sector on the composition and chemistry of the atmosphere – Part 1: Tropospheric composition and air quality

Directory of Open Access Journals (Sweden)

D. Wang

2013-07-01

Full Text Available Vehicles burning fossil fuel emit a number of substances that change the composition and chemistry of the atmosphere, and contribute to global air and water pollution and climate change. For example, nitrogen oxides and volatile organic compounds (VOCs emitted as byproducts of fossil fuel combustion are key precursors to ground-level ozone and aerosol formation. In addition, on-road vehicles are major CO2 emitters. In order to tackle these problems, molecular hydrogen (H2 has been proposed as an energy carrier to substitute for fossil fuels in the future. However, before implementing any such strategy it is crucial to evaluate its potential impacts on air quality and climate. Here, we evaluate the impact of a future (2050 H2-based road transportation sector on tropospheric chemistry and air quality for several possible growth and technology adoption scenarios. The growth scenarios are based on the high and low emissions Intergovernmental Panel on Climate Change Special Report on Emissions Scenarios, A1FI and B1, respectively. The technological adoption scenarios include H2 fuel cell and H2 internal combustion engine options. The impacts are evaluated with the Community Atmospheric Model Chemistry global chemistry transport model (CAM-Chem. Higher resolution simulations focusing on the contiguous United States are also carried out with the Community Multiscale Air Quality Modeling System (CMAQ regional chemistry transport model. For all scenarios future air quality improves with the adoption of a H2-based road transportation sector; however, the magnitude and type of improvement depend on the scenario. Model results show that the adoption of H2 fuel cells would decrease tropospheric burdens of ozone (7%, CO (14%, NOx (16%, soot (17%, sulfate aerosol (4%, and ammonium nitrate aerosol (12% in the A1FI scenario, and would decrease those of ozone (5%, CO (4%, NOx (11%, soot (7%, sulfate aerosol (4%, and ammonium nitrate aerosol (9% in the B1 scenario

Modeling the atmospheric chemistry of TICs

Science.gov (United States)

Henley, Michael V.; Burns, Douglas S.; Chynwat, Veeradej; Moore, William; Plitz, Angela; Rottmann, Shawn; Hearn, John

2009-05-01

An atmospheric chemistry model that describes the behavior and disposition of environmentally hazardous compounds discharged into the atmosphere was coupled with the transport and diffusion model, SCIPUFF. The atmospheric chemistry model was developed by reducing a detailed atmospheric chemistry mechanism to a simple empirical effective degradation rate term (keff) that is a function of important meteorological parameters such as solar flux, temperature, and cloud cover. Empirically derived keff functions that describe the degradation of target toxic industrial chemicals (TICs) were derived by statistically analyzing data generated from the detailed chemistry mechanism run over a wide range of (typical) atmospheric conditions. To assess and identify areas to improve the developed atmospheric chemistry model, sensitivity and uncertainty analyses were performed to (1) quantify the sensitivity of the model output (TIC concentrations) with respect to changes in the input parameters and (2) improve, where necessary, the quality of the input data based on sensitivity results. The model predictions were evaluated against experimental data. Chamber data were used to remove the complexities of dispersion in the atmosphere.

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.

Orbital transport

International Nuclear Information System (INIS)

Oertel, H. Jr.; Koerner, H.

1993-01-01

The Third Aerospace Symposium in Braunschweig presented, for the first time, the possibility of bringing together the classical disciplines of aerospace engineering and the natural science disciplines of meteorology and air chemistry in a european setting. In this way, aspects of environmental impact on the atmosphere could be examined quantitatively. An essential finding of the european conference, is the unrestricted agreement of the experts that the given launch frequencies of the present orbital transport result in a negligible amount of pollutants being released in the atmosphere. The symposium does, however, call attention to the increasing need to consider the effect of orbital and atmospheric environmental impact of a future increase in launch frequencies of orbital transport in connection with future space stations. The Third Aerospace Symposium, 'Orbital Transport, Technical, Meteorological and Chemical Aspects', constituted a first forum of discussion for engineers and scientists. Questions of new orbital transport technologies and their environmental impact were to be discussed towards a first consensus. Through the 34 reports and articles, the general problems of space transportation and environmental protection were addressed, as well as particular aspects of high temperatures during reentry in the atmosphere of the earth, precision navigation of flight vehicles or flow behavior and air chemistry in the stratosphere. (orig./CT). 342 figs

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.

ECHMERIT: A new on-line global mercury-chemistry model

Science.gov (United States)

Jung, G.; Hedgecock, I. M.; Pirrone, N.

2009-04-01

Mercury is a volatile metal, that is of concern because when deposited and transformed to methylmercury accumulates within the food-web. Due to the long lifetime of elemental mercury, which is the dominant fraction of mercury species in the atmosphere, mercury is prone to long-range transport and therefore distributed over the globe, transported and hence deposited even in regions far from anthropogenic emission sources. Mercury is released to the atmosphere from a variety of natural and anthropogenic sources, in elementary and oxidised forms, and as particulate mercury. It is then transported, but also transformed chemically in the gaseous phase, as well as in aqueous phase within cloud and rain droplets. Mercury (particularly its oxidised forms) is removed from the atmosphere though wet and dry deposition processes, a large fraction of deposited mercury is, after chemical or biological reduction, re-emitted to the atmosphere as elementary mercury. To investigate mercury chemistry and transport processes on the global scale, the new, global model ECHMERIT has been developed. ECHMERIT simulates meteorology, transport, deposition, photolysis and chemistry on-line. The general circulation model on which ECHMERIT is based is ECHAM5. Sophisticated chemical modules have been implemented, including gas phase chemistry based on the CBM-Z chemistry mechanism, as well as aqueous phase chemistry, both of which have been adapted to include Hg chemistry and Hg species gas-droplet mass transfer. ECHMERIT uses the fast-J photolysis routine. State-of-the-art procedures simulating wet and dry deposition and emissions were adapted and included in the model as well. An overview of the model structure, development, validation and sensitivity studies is presented.

Computational chemistry research

Science.gov (United States)

Levin, Eugene

1987-01-01

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

Water chemistry and materials degradation in LWR'S

International Nuclear Information System (INIS)

Haenninen, H.; Toerroenen, K.; Aaltonen, P.

1994-01-01

Water chemistry plays a major role in corrosion, in erosion corrosion and in activity transport in NPPs; it impacts upon the operational safety of LWRs in two main ways: integrity of pressure boundary materials and activity transport and out-of-core radiation fields. A good control of water chemistry can significantly reduce these problems and improve plant safety, but economic pressures are leading to more rigorous operating conditions: fuel burnups are to be increased, higher efficiencies are to be achieved by running at higher temperatures and plant lifetimes are to be extended. Typical water chemistry specifications used in PWR and BWR plants are presented and the chemistry optimization is discussed. The complex interplay of metallurgical, mechanical and environmental factors in environmental sensitive cracking is shown, with details on studies for carbon steels, stainless steels and nickel base alloys. 20 refs., 8 figs., 4 tabs

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)

Flame Dynamics and Chemistry in LRE Combustion Instability

Science.gov (United States)

2016-12-22

negative temperature coefficient phenomenon and engine knock. In this work, the coupling of cool flame chemistry and convective– diffusive transport...note, practical engine conditions are highly turbulent, and the autoignition phenomenon depends on both chemistry and turbulent mixing. For example...negative temperature coefficient (NTC) phenomenon and engine knock. In this work, the coupling of cool flame chemistry and convective–diffusive

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.)

SAF line analytical chemistry system

International Nuclear Information System (INIS)

Gerber, E.W.; Sherrell, D.L.

1983-10-01

An analytical chemistry system dedicated to supporting the Secure Automated Fabrication (SAF) line is discussed. Several analyses are required prior to the fuel pellets being loaded into cladding tubes to assure certification requirements will be met. These analyses, which will take less than 15 minutes, are described. The automated sample transport system which will be used to move pellets from the fabriction line to the chemistry area is also described

CRACKER - a program coupling chemistry and transport. Version 92-11

Energy Technology Data Exchange (ETDEWEB)

Emren, A [Chalmers Univ. of Technology, Gothenburg (Sweden). Dept. of Nuclear Technology

1992-12-01

CRACKER is a program coupling chemistry and transport. It simulates chemical reactions of groundwater flowing through a plane fracture. Properties like initial composition of the water, mineralogical composition of the rock and temperature gradients and flow velocity of the water serve as input for the modelling. The program is designed to handle heterogeneous rock properties, like redox fronts, regions with different mineralogy etc. It is even able to handle the common situation of a rock violating the phase rule. In the CRACKER model, a rock is formed by a more or less random distribution of minerals across the surfaces of a fracture. Water moves along the fracture (in present version at a constant velocity). No diffusion parallel to the flow direction is simulated. CRACKER is a package of several programs, most of them written in C. Chemical equilibrium calculations are mostly performed by the well-known geochemical program PHREEQE. The main program, CRACKER, manages information flow and determines which subprograms to use for specific tasks. Further it is responsible for the user interface. Essentially a simulation proceeds by alternate call to the HACKER and PHREEQE subprograms. HACKER is responsible for generating the rock, water propagation, mixing of waters and sampling the results. PHREEQE is used to solve the chemical equilibrium equations. The directory structure and the data structures used by CRACKER are described in separate sections. Further, the different subprograms are described with respect to purposes and methods used to handle the problems. The purpose of each first level function in the subprograms is described. (author).

CRACKER - a program coupling chemistry and transport. Version 92-11

International Nuclear Information System (INIS)

Emren, A.

1992-12-01

CRACKER is a program coupling chemistry and transport. It simulates chemical reactions of groundwater flowing through a plane fracture. Properties like initial composition of the water, mineralogical composition of the rock and temperature gradients and flow velocity of the water serve as input for the modelling. The program is designed to handle heterogeneous rock properties, like redox fronts, regions with different mineralogy etc. It is even able to handle the common situation of a rock violating the phase rule. In the CRACKER model, a rock is formed by a more or less random distribution of minerals across the surfaces of a fracture. Water moves along the fracture (in present version at a constant velocity). No diffusion parallel to the flow direction is simulated. CRACKER is a package of several programs, most of them written in C. Chemical equilibrium calculations are mostly performed by the well-known geochemical program PHREEQE. The main program, CRACKER, manages information flow and determines which subprograms to use for specific tasks. Further it is responsible for the user interface. Essentially a simulation proceeds by alternate call to the HACKER and PHREEQE subprograms. HACKER is responsible for generating the rock, water propagation, mixing of waters and sampling the results. PHREEQE is used to solve the chemical equilibrium equations. The directory structure and the data structures used by CRACKER are described in separate sections. Further, the different subprograms are described with respect to purposes and methods used to handle the problems. The purpose of each first level function in the subprograms is described. (author)

Atmospheric chemistry and physics from air pollution to climate change

CERN Document Server

Seinfeld, John H

2016-01-01

Expanded and updated with new findings and new features Since the second edition of Seinfeld and Pandis’ classic textbook, significant progress has taken place in the field of atmospheric chemistry and physics, particularly in the areas of tropospheric chemistry, aerosols, and the science of climate change. A new edition of this comprehensive work has been developed by the renowned author team. Atmospheric Chemistry and Physics, 3rd Edition, as the previous two editions have done, provides a rigorous and comprehensive treatment of the chemistry and physics of the atmosphere – including the chemistry of the stratosphere and troposphere, aerosol physics and chemistry, atmospheric new particle formation, physical meteorology, cloud physics, global climate, statistical analysis of data, and mathematical chemical/transport models of the atmosphere. Each of these topics is covered in detail and in each area the central results are developed from first principles. In this way the reader gains a significant un...

Experimental proposals for procedures to investigate the water chemistry, sorption and transport properties of marl

International Nuclear Information System (INIS)

Bradbury, M.H.; Baeyens, B.; Alexander, W.R.

1990-11-01

The aim of this report is to describe a framework within which laboratory studies on groundwater chemistry, sorption and transport properties might be conducted on samples from rock formations being considered as potential 'host rocks' for the disposal of radioactive waste. Here, Valanginian marl, has been taken as a specific example, but the general principles should be applicable to other systems. Some brief notes are given on sampling and handling procedures and mineralogical characterisation. This is followed by a detailed discussion of the procedures considered necessary to determine a groundwater chemistry of a specific rock matrix. The methods described are particularly appropriate to rocks such as marl i.e. low water content rocks (essentially 'dry') with appreciable clay and carbonate contents. An important conclusion drawn is that simple aqueous phase extractions at different liquid to solid ratios, followed by extrapolation procedures, are not always appropriate and can lead to incorrect water compositions. Some of the uncertainties and difficulties inherently involved in determining sorption parameters from batch, infiltration and diffusion based methods are presented. These methods are then individually discussed in greater detail with some illustrative examples. In the relatively few studies where sorption has been measured in crushed rock tests and compared with the results from intact rock experiments, it is often found that there are discrepancies. An outline for an experiment is described in which results from the two types of test could be quantitatively related to one another via cation exchange capacity measurements. Using this method it might be possible to explain the reasons for such discrepancies. Finally, a brief discussion is given on the possible consequences for experimental studies of gas in Valanginian marl and the swelling of the clay rich components. (author) 8 figs., 4 tabs., 46 refs

Integration of prognostic aerosol-cloud interactions in a chemistry transport model coupled offline to a regional climate model

Science.gov (United States)

Thomas, M. A.; Kahnert, M.; Andersson, C.; Kokkola, H.; Hansson, U.; Jones, C.; Langner, J.; Devasthale, A.

2015-06-01

To reduce uncertainties and hence to obtain a better estimate of aerosol (direct and indirect) radiative forcing, next generation climate models aim for a tighter coupling between chemistry transport models and regional climate models and a better representation of aerosol-cloud interactions. In this study, this coupling is done by first forcing the Rossby Center regional climate model (RCA4) with ERA-Interim lateral boundaries and sea surface temperature (SST) using the standard cloud droplet number concentration (CDNC) formulation (hereafter, referred to as the "stand-alone RCA4 version" or "CTRL" simulation). In the stand-alone RCA4 version, CDNCs are constants distinguishing only between land and ocean surface. The meteorology from this simulation is then used to drive the chemistry transport model, Multiple-scale Atmospheric Transport and Chemistry (MATCH), which is coupled online with the aerosol dynamics model, Sectional Aerosol module for Large Scale Applications (SALSA). CDNC fields obtained from MATCH-SALSA are then fed back into a new RCA4 simulation. In this new simulation (referred to as "MOD" simulation), all parameters remain the same as in the first run except for the CDNCs provided by MATCH-SALSA. Simulations are carried out with this model setup for the period 2005-2012 over Europe, and the differences in cloud microphysical properties and radiative fluxes as a result of local CDNC changes and possible model responses are analysed. Our study shows substantial improvements in cloud microphysical properties with the input of the MATCH-SALSA derived 3-D CDNCs compared to the stand-alone RCA4 version. This model setup improves the spatial, seasonal and vertical distribution of CDNCs with a higher concentration observed over central Europe during boreal summer (JJA) and over eastern Europe and Russia during winter (DJF). Realistic cloud droplet radii (CD radii) values have been simulated with the maxima reaching 13 μm, whereas in the stand

Operational experience in water chemistry of PHWRs

International Nuclear Information System (INIS)

Krishna Rao, K.S.

2000-01-01

The chemistry related problems encountered in the moderator, primary heat transport systems, chemical control in the steam generators and the experience gained in the decontamination campaigns carried out in the primary heat transport systems of Indian PHWRs are highlighted in this paper. (author)

Predicting tropospheric ozone and hydroxyl radical in a global, three-dimensional, chemistry, transport, and deposition model

Energy Technology Data Exchange (ETDEWEB)

Atherton, C.S.

1995-01-05

Two of the most important chemically reactive tropospheric gases are ozone (O{sub 3}) and the hydroxyl radical (OH). Although ozone in the stratosphere is a necessary protector against the sun`s radiation, tropospheric ozone is actually a pollutant which damages materials and vegetation, acts as a respiratory irritant, and is a greenhouse gas. One of the two main sources of ozone in the troposphere is photochemical production. The photochemistry is initiated when hydrocarbons and carbon monoxide (CO) react with nitrogen oxides (NO{sub x} = NO + NO{sub 2}) in the presence of sunlight. Reaction with the hydroxyl radical, OH, is the main sink for many tropospheric gases. The hydroxyl radical is highly reactive and has a lifetime on the order of seconds. Its formation is initiated by the photolysis of tropospheric ozone. Tropospheric chemistry involves a complex, non-linear set of chemical reactions between atmospheric species that vary substantially in time and space. To model these and other species on a global scale requires the use of a global, three-dimensional chemistry, transport, and deposition (CTD) model. In this work, I developed two such three dimensional CTD models. The first model incorporated the chemistry necessary to model tropospheric ozone production from the reactions of nitrogen oxides with carbon monoxide (CO) and methane (CH{sub 4}). The second also included longer-lived alkane species and the biogenic hydrocarbon isoprene, which is emitted by growing plants and trees. The models` ability to predict a number of key variables (including the concentration of O{sub 3}, OH, and other species) were evaluated. Then, several scenarios were simulated to understand the change in the chemistry of the troposphere since preindustrial times and the role of anthropogenic NO{sub x} on present day conditions.

Numerical verification of equilibrium chemistry software within nuclear fuel performance codes

International Nuclear Information System (INIS)

Piro, M.H.; Lewis, B.J.; Thompson, W.T.; Simunovic, S.; Besmann, T.M.

2010-01-01

A numerical tool is in an advanced state of development to compute the equilibrium compositions of phases and their proportions in multi-component systems of importance to the nuclear industry. The resulting software is being conceived for direct integration into large multi-physics fuel performance codes, particularly for providing transport source terms, material properties, and boundary conditions in heat and mass transport modules. Consequently, any numerical errors produced in equilibrium chemistry computations will be propagated in subsequent heat and mass transport calculations, thus falsely predicting nuclear fuel behaviour. The necessity for a reliable method to numerically verify chemical equilibrium computations is emphasized by the requirement to handle the very large number of elements necessary to capture the entire fission product inventory. A simple, reliable and comprehensive numerical verification method called the Gibbs Criteria is presented which can be invoked by any equilibrium chemistry solver for quality assurance purposes. (author)

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

Isotope and Nuclear Chemistry Division annual report FY 1985, October 1984-September 1985

International Nuclear Information System (INIS)

Heiken, J.H.

1986-04-01

This report describes progress in the major research and development programs carried out in FY 1985 by the Isotope and Nuclear Chemistry Division. It covers radiochemical diagnostics of weapons tests; weapons radiochemical diagnostics research and development; other unclassified weapons research; stable and radioactive isotope production, separation, and applications (including biomedical applications); element and isotope transport and fixation; actinide and transition metal chemistry; structural chemistry, spectroscopy, and applications; nuclear structure and reactions; irradiations facilities; advanced analytical techniques; development and applications; atmospheric chemistry and transport; and earth and planetary processes

Expression of results in quantum chemistry physical chemistry division commission on physicochemical symbols, terminology and units

CERN Document Server

Whiffen, D H

2013-01-01

Expression of Results in Quantum Chemistry recommends the appropriate insertion of physical constants in the output information of a theoretical paper in order to make the numerical end results of theoretical work easily transformed to SI units by the reader. The acceptance of this recommendation would circumvent the need for a set of atomic units each with its own symbol and name. It is the traditional use of the phrase """"atomic units"""" in this area which has obscured the real problem. The four SI dimensions of length, mass, time, and current require four physical constants to be permitte

The Titan Haze Simulation Experiment: Latest Laboratory Results and Dedicated Plasma Chemistry Model

Science.gov (United States)

Sciamma-O'Brien, Ella; Raymond, Alexander; Mazur, Eric; Salama, Farid

2018-06-01

Here, we present the latest results on the gas and solid phase analyses in the Titan Haze Simulation (THS) experiment. The THS experiment, developed at NASA Ames’ COSmIC facility is a unique experimental platform that allows us to simulate Titan’s complex atmospheric chemistry at Titan-like temperature (200 K) by cooling down N2-CH4-based mixtures in a supersonic expansion before inducing the chemistry by plasma.Gas phase: The residence time of the jet-accelerated gas in the active plasma region is less than 4 µs, which results in a truncated chemistry enabling us to control how far in the chain of reactions the chemistry is processing. By adding heavier molecules in the initial gas mixture, it is then possible to study the first and intermediate steps of Titan’s atmospheric chemistry as well as specific chemical pathways, as demonstrated by mass spectrometry and comparison to Cassini CAPS data [1]. A new model was recently developed to simulate the plasma chemistry in the THS. Calculated mass spectra produced by this model are in good agreement with the experimental THS mass spectra, confirming that the short residence time in the plasma cavity limits the growth of larger species [2].Solid phase: Scanning electron microscopy and infrared spectroscopy have been used to investigate the effect of the initial gas mixture on the morphology of the THS Titan aerosol analogs as well as on the level and nature of the nitrogen incorporation into these aerosols. A comparison to Cassini VIMS observational data has shown that the THS aerosols produced in simpler mixtures, i.e., that contain more nitrogen and where the N-incorporation is in isocyanide-type molecules instead of nitriles, are more representative of Titan’s aerosols [3]. In addition, a new optical constant facility has been developed at NASA Ames that allows us to determine the complex refractive indices of THS Titan aerosol analogs from NIR to FIR (0.76-222 cm-1). The facility and preliminary results

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....

Primary water chemistry optimization for extended fuel cycle operation. Results of the 'Duo experimentation' after three cycles

International Nuclear Information System (INIS)

Viricel, L.; Andrieu, C.; Segura, J.C.; Rocher, A.; Thomazet, J.; Clinard, M.H.; Dacquait, F.

2002-01-01

The primary coolant conditioning in French nuclear power plants is essentially based on the boron-lithium coordinated chemistry, with a target pH of 7.2 at 300 C and a maximum lithium concentration of 2.2 mg/kg. In 1996, EDF 1300 MWe units began operating 18-month fuel cycles, increasing boron concentrations at the beginning of the cycles. Since today the maximum lithium concentration in normal operation is 2.2 mg/kg, extended cycle operation results in a decrease in the pH at the beginning of the cycles, which may possibly lead to deposits in RCS, and particularly on the fuel cladding, and increased dose rates. It has to be noted that today, the fuel assemblies maximum burnup is set at 52 GWd/tU. One solution is to adjust the pH by increasing the lithium content at the beginning of the cycles, which is easy to implement and does not require any modification on the units. Hence, EDF is testing a ''modified'' chemistry regime in the > during 4 fuel cycles, with a maximum authorized lithium content of 3.5 mg/kg at the beginning of the cycles in the Cattenom 2 pilot unit. The Golfech 1 reference unit implements a standard boron-lithium coordination pH 300 7.2. The major goal of the experimentation is to assess the impact of elevated lithium concentrations at the beginning of the cycles on fuel cladding oxide behavior, mass transport and dose rates. This paper presents the results of the first three cycles of the Duo experimentation. (author)

Reactive transport modelling of groundwater chemistry in a chalk aquifer at the watershed scale.

Science.gov (United States)

Mangeret, A; De Windt, L; Crançon, P

2012-09-01

This study investigates thermodynamics and kinetics of water-rock interactions in a carbonate aquifer at the watershed scale. A reactive transport model is applied to the unconfined chalk aquifer of the Champagne Mounts (France), by considering both the chalk matrix and the interconnected fracture network. Major element concentrations and main chemical parameters calculated in groundwater and their evolution along flow lines are in fair agreement with field data. A relative homogeneity of the aquifer baseline chemistry is rapidly reached in terms of pH, alkalinity and Ca concentration since calcite equilibrium is achieved over the first metres of the vadose zone. However, incongruent chalk dissolution slowly releases Ba, Mg and Sr in groundwater. Introducing dilution effect by rainwater infiltration and a local occurrence of dolomite improves the agreement between modelling and field data. The dissolution of illite and opal-CT, controlling K and SiO(2) concentrations in the model, can be approximately tackled by classical kinetic rate laws, but not the incongruent chalk dissolution. An apparent kinetic rate has therefore been fitted on field data by inverse modelling: 1.5×10(-5) mol(chalk)L (-1) water year (-1). Sensitivity analysis indicates that the CO(2) partial pressure of the unsaturated zone is a critical parameter for modelling the baseline chemistry over the whole chalk aquifer. Copyright © 2012 Elsevier B.V. All rights reserved.

Compendium of NASA data base for the global tropospheric experiment's Transport and Atmospheric Chemistry Near the Equator-Atlantic (TRACE-A)

Science.gov (United States)

Gregory, Gerald L.; Scott, A. Donald, Jr.

1995-01-01

This compendium describes aircraft data that are available from NASA's Transport and Atmospheric Chemistry near the Equator - Atlantic (TRACE-A) conducted in September/October 1992. The broad objectives of TRACE-A were to study chemical processes and long-range transport associated with South American and African continental outflow during periods of widespread vegetation burning, and to understand the ozone enhancements observed from satellite data measured over the southern tropical Atlantic Ocean during the September/October time period. Flight experiments were conducted from Brazil, South Africa, Namibia, and the Ascension Island. This document provides a representation of aircraft data that are available from NASA Langley's Distributed Active Archive Center (DAAC). The data format of time series and altitude profile plots is not intended to support original analyses, but to assist the reader in identifying data that are of interest. This compendium is for only the NASA aircraft data. The DAAC data base includes numerous supporting data-meteorological products, results from surface studies, satellite observations, and data from sonde releases.

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)

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.

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)

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.)

The influence of chemistry on severe accident phenomena in integral tests

International Nuclear Information System (INIS)

Hobbins, R.R.; Osetek, D.J.; Hagrman, D.L.

1988-01-01

The influence of chemical processes on severe accident phenomena in integral tests is reviewed and recommendations for areas of additional work are made. The results reviewed include those from tests conducted in the in-pile facilities at ACRR, PBF, and TREAT and the TMI-2 accident. Progress has been made in understanding the influence of chemistry on important severe accident phenomena such as core melt progression, hydrogen generation, aerosol generation and transport, and fission product release and transport (including revaporization). An example is the chemistry of volatile fission products, especially iodine and tellurium. Areas where understanding is inadequate are also apparent, such as chemical interactions between fission product vapors and aerosols. Influential chemical processes reviewed include oxidation by steam and interactions among control, structural, fuel, fission product, and aerosol materials

Computational Flame Diagnostics for Direct Numerical Simulations with Detailed Chemistry of Transportation Fuels

Energy Technology Data Exchange (ETDEWEB)

Lu, Tianfeng [Univ. of Connecticut, Storrs, CT (United States)

2017-02-16

The goal of the proposed research is to create computational flame diagnostics (CFLD) that are rigorous numerical algorithms for systematic detection of critical flame features, such as ignition, extinction, and premixed and non-premixed flamelets, and to understand the underlying physicochemical processes controlling limit flame phenomena, flame stabilization, turbulence-chemistry interactions and pollutant emissions etc. The goal has been accomplished through an integrated effort on mechanism reduction, direct numerical simulations (DNS) of flames at engine conditions and a variety of turbulent flames with transport fuels, computational diagnostics, turbulence modeling, and DNS data mining and data reduction. The computational diagnostics are primarily based on the chemical explosive mode analysis (CEMA) and a recently developed bifurcation analysis using datasets from first-principle simulations of 0-D reactors, 1-D laminar flames, and 2-D and 3-D DNS (collaboration with J.H. Chen and S. Som at Argonne, and C.S. Yoo at UNIST). Non-stiff reduced mechanisms for transportation fuels amenable for 3-D DNS are developed through graph-based methods and timescale analysis. The flame structures, stabilization mechanisms, local ignition and extinction etc., and the rate controlling chemical processes are unambiguously identified through CFLD. CEMA is further employed to segment complex turbulent flames based on the critical flame features, such as premixed reaction fronts, and to enable zone-adaptive turbulent combustion modeling.

In-Package Chemistry Abstraction

Energy Technology Data Exchange (ETDEWEB)

E. Thomas

2004-11-09

This report was developed in accordance with the requirements in ''Technical Work Plan for: Regulatory Integration Modeling and Analysis of the Waste Form and Waste Package'' (BSC 2004 [DIRS 171583]). The purpose of the in-package chemistry model is to predict the bulk chemistry inside of a breached waste package and to provide simplified expressions of that chemistry as function of time after breach to Total Systems Performance Assessment for the License Application (TSPA-LA). The scope of this report is to describe the development and validation of the in-package chemistry model. The in-package model is a combination of two models, a batch reactor model that uses the EQ3/6 geochemistry-modeling tool, and a surface complexation model that is applied to the results of the batch reactor model. The batch reactor model considers chemical interactions of water with the waste package materials and the waste form for commercial spent nuclear fuel (CSNF) waste packages and codisposed waste packages that contain both high-level waste glass (HLWG) and DOE spent fuel. The surface complexation model includes the impact of fluid-surface interactions (i.e., surface complexation) on the resulting fluid composition. The model examines two types of water influx: (1) the condensation of water vapor that diffuses into the waste package, and (2) seepage water that enters the waste package from the drift as a liquid. (1) Vapor Influx Case: The condensation of vapor onto the waste package internals is simulated as pure H2O and enters at a rate determined by the water vapor pressure for representative temperature and relative humidity conditions. (2) Water Influx Case: The water entering a waste package from the drift is simulated as typical groundwater and enters at a rate determined by the amount of seepage available to flow through openings in a breached waste package. TSPA-LA uses the vapor influx case for the nominal scenario for simulations where the waste

In-Package Chemistry Abstraction

International Nuclear Information System (INIS)

E. Thomas

2004-01-01

This report was developed in accordance with the requirements in ''Technical Work Plan for: Regulatory Integration Modeling and Analysis of the Waste Form and Waste Package'' (BSC 2004 [DIRS 171583]). The purpose of the in-package chemistry model is to predict the bulk chemistry inside of a breached waste package and to provide simplified expressions of that chemistry as function of time after breach to Total Systems Performance Assessment for the License Application (TSPA-LA). The scope of this report is to describe the development and validation of the in-package chemistry model. The in-package model is a combination of two models, a batch reactor model that uses the EQ3/6 geochemistry-modeling tool, and a surface complexation model that is applied to the results of the batch reactor model. The batch reactor model considers chemical interactions of water with the waste package materials and the waste form for commercial spent nuclear fuel (CSNF) waste packages and codisposed waste packages that contain both high-level waste glass (HLWG) and DOE spent fuel. The surface complexation model includes the impact of fluid-surface interactions (i.e., surface complexation) on the resulting fluid composition. The model examines two types of water influx: (1) the condensation of water vapor that diffuses into the waste package, and (2) seepage water that enters the waste package from the drift as a liquid. (1) Vapor Influx Case: The condensation of vapor onto the waste package internals is simulated as pure H2O and enters at a rate determined by the water vapor pressure for representative temperature and relative humidity conditions. (2) Water Influx Case: The water entering a waste package from the drift is simulated as typical groundwater and enters at a rate determined by the amount of seepage available to flow through openings in a breached waste package. TSPA-LA uses the vapor influx case for the nominal scenario for simulations where the waste package has been

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)

Small-molecule azomethines : Organic photovoltaics via Schiff base condensation chemistry

NARCIS (Netherlands)

Petrus, M.L.; Bouwer, R.K.M.; Lafont, U.; Athanasopoulos, S.; Greenham, N.C.; Dingemans, T.J.

2014-01-01

Conjugated small-molecule azomethines for photovoltaic applications were prepared via Schiff base condensation chemistry. Bulk heterojunction (BHJ) devices exhibit efficiencies of 1.2% with MoOx as the hole-transporting layer. The versatility and simplicity of the chemistry is illustrated by

76 FR 62149 - American Chemistry Council, The Chlorine Institute, Inc., the Fertilizer Institute, and PPG...

Science.gov (United States)

2011-10-06

... DEPARTMENT OF TRANSPORTATION Surface Transportation Board [Docket No. NOR 42129; Docket No. FD 35517] American Chemistry Council, The Chlorine Institute, Inc., the Fertilizer Institute, and PPG... both cases. \\1\\ In Docket No. NOR 42129, the complainants are American Chemistry Council, The Chlorine...

Experimental studies and modelling of cation interactions with solid materials: application to the MIMICC project. (Multidimensional Instrumented Module for Investigations on chemistry-transport Coupled Codes)

International Nuclear Information System (INIS)

Hardin, Emmanuelle

1999-01-01

The study of cation interactions with solid materials is useful in order to define the chemistry interaction component of the MIMICC project (Multidimensional Instrumented Module for Investigations on chemistry-transport Coupled Codes). This project will validate the chemistry-transport coupled codes. Database have to be supplied on the cesium or ytterbium interactions with solid materials in suspension. The solid materials are: a strong cation exchange resin, a natural sand which presents small impurities, and a zirconium phosphate. The cation exchange resin is useful to check that the surface complexation theory can be applied on a pure cation exchanger. The sand is a natural material, and its isotherms will be interpreted using pure oxide-cation system data, such as pure silica-cation data. Then the study on the zirconium phosphate salt is interesting because of the increasing complexity in the processes (dissolution, sorption and co-precipitation). These data will enable to approach natural systems, constituted by several complex solids which can interfere on each other. These data can also be used for chemistry-transport coupled codes. Potentiometric titration, sorption isotherms, sorption kinetics, cation surface saturation curves are made, in order to obtain the different parameters relevant to the cation sorption at the solid surface, for each solid-electrolyte-cation system. The influence of different parameters such as ionic strength, pH, and electrolyte is estimated. All the experimental curves are fitted with FITEQL code based on the surface complexation theory using the constant capacitance model, in order to give a mechanistic interpretation of the ion retention phenomenon at the solid surface. The speciation curves of all systems are plotted, using the FITEQL code too. Systems with an increasing complexity are studied: dissolution, sorption and coprecipitation coexist in the cation-salt systems. Then the data obtained on each single solid, considered

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.

Strong Coupling between Nanofluidic Transport and Interfacial Chemistry: How Defect Reactivity Controls Liquid-Solid Friction through Hydrogen Bonding.

Science.gov (United States)

Joly, Laurent; Tocci, Gabriele; Merabia, Samy; Michaelides, Angelos

2016-04-07

Defects are inevitably present in nanofluidic systems, yet the role they play in nanofluidic transport remains poorly understood. Here, we report ab initio molecular dynamics (AIMD) simulations of the friction of liquid water on defective graphene and boron nitride sheets. We show that water dissociates at certain defects and that these "reactive" defects lead to much larger friction than the "nonreactive" defects at which water molecules remain intact. Furthermore, we find that friction is extremely sensitive to the chemical structure of reactive defects and to the number of hydrogen bonds they can partake in with the liquid. Finally, we discuss how the insight obtained from AIMD can be used to quantify the influence of defects on friction in nanofluidic devices for water treatment and sustainable energy harvesting. Overall, we provide new insight into the role of interfacial chemistry on nanofluidic transport in real, defective systems.

Characterization of in vivo chemistry of cations in the heart

International Nuclear Information System (INIS)

Mousa, S.A.; Williams, S.J.; Sands, H.

1987-01-01

A variety of laboratory procedures can be used to define the chemistry and pharmacokinetics of myocardial cationic imaging agents. These methods are utilized to define the in vivo chemistry of cationic heart agents, in order to understand the kinetics and mechanisms of: tissue and cellular transport, subcellular distribution, and intracellular localization. Transport across cell membranes can be active, passive or facilitated. Studies performed in erythrocytes, heart cells, slices and isolated perfused hearts using methods for separation of metabolites have shown a high degree of myocardial specificity for [99mTc]hexakis alkyl isonitrile by an uptake mechanism different from 201 Tl. These studies demonstrate the importance of in vivo chemistry and pharmacokinetics in the development of new radiopharmaceuticals. 31 references

Atmospheric Chemistry and Air Pollution

Directory of Open Access Journals (Sweden)

Jeffrey S. Gaffney

2003-01-01

Full Text Available Atmospheric chemistry is an important discipline for understanding air pollution and its impacts. This mini-review gives a brief history of air pollution and presents an overview of some of the basic photochemistry involved in the production of ozone and other oxidants in the atmosphere. Urban air quality issues are reviewed with a specific focus on ozone and other oxidants, primary and secondary aerosols, alternative fuels, and the potential for chlorine releases to amplify oxidant chemistry in industrial areas. Regional air pollution issues such as acid rain, long-range transport of aerosols and visibility loss, and the connections of aerosols to ozone and peroxyacetyl nitrate chemistry are examined. Finally, the potential impacts of air pollutants on the global-scale radiative balances of gases and aerosols are discussed briefly.

Traceability Assessment and Performance Evaluation of Results for Measurement of Abbott Clinical Chemistry Assays on 4 Chemistry Analyzers.

Science.gov (United States)

Lim, Jinsook; Song, Kyung Eun; Song, Sang Hoon; Choi, Hyun-Jung; Koo, Sun Hoe; Kwon, Gye Choel

2016-05-01

-The traceability of clinical results to internationally recognized and accepted reference materials and reference measurement procedures has become increasingly important. Therefore, the establishment of traceability has become a mandatory requirement for all in vitro diagnostics devices. -To evaluate the traceability of the Abbott Architect c8000 system (Abbott Laboratories, Abbott Park, Illinois), consisting of calibrators and reagents, across 4 different chemistry analyzers, and to evaluate its general performance on the Toshiba 2000FR NEO (Toshiba Medical Systems Corporation, Otawara-shi, Tochigi-ken, Japan). -For assessment of traceability, secondary reference materials were evaluated 5 times, and then bias was calculated. Precision, linearity, and carryover were determined according to the guidelines of the Clinical and Laboratory Standards Institute (Wayne, Pennsylvania). -The biases from 4 different analyzers ranged from -2.33% to 2.70% on the Toshiba 2000FR NEO, -2.33% to 5.12% on the Roche Hitachi 7600 (Roche Diagnostics International, Basel, Switzerland), -0.93% to 2.87% on the Roche Modular, and -2.16% to 2.86% on the Abbott Architect c16000. The total coefficients of variance of all analytes were less than 5%. The coefficients of determination (R(2)) were more than 0.9900. The carryover rate ranged from -0.54% to 0.17%. -Abbott clinical chemistry assays met the performance criteria based on desirable biological variation for precision, bias, and total error. They also showed excellent linearity and carryover. Therefore, these clinical chemistry assays were found to be accurate and reliable and are readily applicable on the various platforms used in this study.

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)

C1 Chemistry for the Production of Ultra-Clean Liquid Transportation Fuels and Hydrogen

Energy Technology Data Exchange (ETDEWEB)

Gerald P. Huffman

2006-03-30

Professors and graduate students from five universities--the University of Kentucky, University of Pittsburgh, University of Utah, West Virginia University, and Auburn University--are collaborating in a research program to develop C1 chemistry processes to produce ultra-clean liquid transportation fuels and hydrogen, the zero-emissions transportation fuel of the future. The feedstocks contain one carbon atom per molecular unit. They include synthesis gas (syngas), a mixture of carbon monoxide and hydrogen produced by coal gasification or reforming of natural gas, methane, methanol, carbon dioxide, and carbon monoxide. An important objective is to develop C1 technology for the production of liquid transportation fuel and hydrogen from domestically plentiful resources such as coal, coalbed methane, and hydrocarbon gases and liquids produced from coal. An Advisory Board with representatives from Chevron-Texaco, Eastman Chemical, Conoco-Phillips, the Air Force Research Laboratory, the U.S. Army National Automotive Center, and Tier Associates provides guidance on the practicality of the research. The current report summarizes the results obtained in this program during the period October 1, 2002 through March 31, 2006. The results are presented in detailed reports on 16 research projects headed by professors at each of the five CFFS Universities and an Executive Summary. Some of the highlights from these results are: (1) Small ({approx}1%) additions of acetylene or other alkynes to the Fischer-Tropsch (F-T) reaction increases its yield, causes chain initiation, and promotes oxygenate formation. (2) The addition of Mo to Fe-Cu-K/AC F-T catalysts improves catalyst lifetime and activity. (3) The use of gas phase deposition to place highly dispersed metal catalysts on silica or ceria aerogels offers promise for both the F-T and the water-gas shift WGS reactions. (4) Improved activity and selectivity are exhibited by Co F-T catalysts in supercritical hexane. (5) Binary Fe

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

Science.gov (United States)

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

2017-11-01

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

Chemistry and propulsion; Chimie et propulsions

Energy Technology Data Exchange (ETDEWEB)

Potier, P [Maison de la Chimie, 75 - Paris (France); Davenas, A [societe Nationale des Poudres et des Explosifs - SNPE (France); Berman, M [Air Force Office of Scientific Research, Arlington, VA (United States); and others

2002-07-01

During the colloquium on chemistry and propulsion, held in march 2002, ten papers have been presented. The proceedings are brought in this document: ramjet, scram-jet and Pulse Detonation Engine; researches and applications on energetic materials and propulsion; advances in poly-nitrogen chemistry; evolution of space propulsion; environmental and technological stakes of aeronautic propulsion; ramjet engines and pulse detonation engines, automobiles thermal engines for 2015, high temperature fuel cells for the propulsion domain, the hydrogen and the fuel cells in the future transports. (A.L.B.)

Climate effects of anthropogenic sulfate: Simulations from a coupled chemistry/climate model

International Nuclear Information System (INIS)

Chuang, C.C.; Penner, J.E.; Taylor, K.E.; Walton, J.J.

1993-09-01

In this paper, we use a more comprehensive approach by coupling a climate model with a 3-D global chemistry model to investigate the forcing by anthropogenic aerosol sulfate. The chemistry model treats the global-scale transport, transformation, and removal of SO 2 , DMS and H 2 SO 4 species in the atmosphere. The mass concentration of anthropogenic sulfate from fossil fuel combustion and biomass burning is calculated in the chemistry model and provided to the climate model where it affects the shortwave radiation. We also investigate the effect, with cloud nucleation parameterized in terms of local aerosol number, sulfate mass concentration and updraft velocity. Our simulations indicate that anthropogenic sulfate may result in important increases in reflected solar radiation, which would mask locally the radiative forcing from increased greenhouse gases. Uncertainties in these results will be discussed

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.)

A detailed approach to model transport, heterogeneous chemistry, and electrochemistry in solid-oxide fuel cells

Energy Technology Data Exchange (ETDEWEB)

Janardhanan, V.

2007-07-01

This dissertation layes out detailed descriptions for heterogeneous chemistry, electrochemistry, and porous media transport models to simulate solid oxide fuel cells (SOFCs). An elementary like heterogeneous reaction mechanism for the steam reforming of CH4 developed in our research group is used throughout this work. Based on assumption of hydrogen oxidation as the only electrochemical reaction and single step electron transfer reaction as rate limiting, a modified Butler-Volmer equation is used to model the electrochemistry. The pertinence of various porous media transport models such as Modified Fick Model (MFM), Dusty Gas Model (DGM), Mean Transport Pore Model, Modified Maxwell Stefan Model, and Generalized Maxwell Stefan Model under reaction conditions are studied. In general MFM and DGM predictions are in good agreement with experimental data. Physically realistic electrochemical model parameters are very important for fuel cell modeling. Button cell simulations are carried out to deduce the electrochemical model parameters, and those parameters are further used in the modeling of planar cells. Button cell simulations are carried out using the commercial CFD code FLUENT coupled with DETCHEM. For all temperature ranges the model works well in predicting the experimental observations in the high current density region. However, the model predicts much higher open circuit potentials than that observed in the experiments, mainly due to the absence of coking model in the elementary heterogeneous mechanism leading to nonequilibrium compositions. Furthermore, the study presented here employs Nernst equation for the calculation of reversible potential which is strictly valid only for electrochemical equilibrium. It is assumed that the electrochemical charge transfer reaction involving H2 is fast enough to be in equilibrium. However, the comparison of model prediction with thermodynamic equilibrium reveals that this assumption is violated under very low current

Reduction methods and uncertainty analysis: application to a Chemistry-Transport Model for modeling and simulation of impacts

International Nuclear Information System (INIS)

Boutahar, Jaouad

2004-01-01

In an integrated impact assessment, one has to test several scenarios of the model inputs or/and to identify the effects of model input uncertainties on the model outputs. In both cases, a large number of simulations of the model is necessary. That of course is not feasible with comprehensive Chemistry-Transport Model, due to the need for huge CPU times. Two approaches may be used in order to circumvent these difficulties: The first approach consists in reducing the computational cost of the original model by building a reduced model. Two reduction techniques are used: the first method, POD, is related to the statistical behaviour of the system and is based on a proper orthogonal decomposition of the solutions. The second method, is an efficient representation of the input/output behaviour through look-up tables. It describes the output model as an expansion of finite hierarchical correlated function in terms of the input variables. The second approach is based on reducing the number of models runs required by the standard Monte Carlo methods. It characterizes the probabilistic response of the uncertain model output as an expansion of orthogonal polynomials according to model inputs uncertainties. Then the classical Monte Carlo simulation can easily be used to compute the probability density of the uncertain output. Another key point in an integrated impact assessment is to develop strategies for the reduction of emissions by computing Source/Receptor matrices for several years of simulations. We proposed here an efficient method to calculate these matrices by using the adjoint model and in particular by defining the 'representative chemical day'. All of these methods are applied to POLAIR3D, a Chemistry-Transport model developed in this thesis. (author) [fr

Programming chemistry in DNA-addressable bioreactors

DEFF Research Database (Denmark)

Fellermann, H.; Cardelli, L.

2014-01-01

. These markers serve as compartment addresses and allow for their targeted transport and fusion, thereby enabling reactions of previously separated chemicals. The overall system organization allows for the set-up of programmable chemistry in microfluidic or other automated environments. We introduce a simple...

Towards electron transport measurements in chemically modified graphene: effect of a solvent

Energy Technology Data Exchange (ETDEWEB)

Jacobsen, Arnhild; Ensslin, Klaus [Solid State Physics Laboratory, ETH Zurich (Switzerland); Koehler, Fabian M; Stark, Wendelin J, E-mail: arnhildj@phys.ethz.ch, E-mail: fabian.koehler@chem.ethz.ch [Institute for Chemical and Bioengineering, ETH Zurich (Switzerland)

2010-12-15

The chemical functionalization of graphene modifies the local electron density of carbon atoms and hence electron transport. Measuring these changes allows for a closer understanding of the chemical interaction and the influence of functionalization on the graphene lattice. However, not only chemistry, in this case diazonium chemistry, has an effect on electron transport. The latter is also influenced by defects and dopants resulting from different processing steps. Here, we show that the solvents used in the chemical reaction process change the transport properties. In more detail, the investigated combination of isopropanol and heating treatment reduces the doping concentration and significantly increases the mobility of graphene. Furthermore, isopropanol treatment alone increases the concentration of dopants and introduces an asymmetry between electron and hole transport, which might be difficult to distinguish from the effect of functionalization. The results shown in this work demand a closer look at the influence of solvents used for chemical modification in order to understand their influence.

Towards electron transport measurements in chemically modified graphene: effect of a solvent

International Nuclear Information System (INIS)

Jacobsen, Arnhild; Ensslin, Klaus; Koehler, Fabian M; Stark, Wendelin J

2010-01-01

The chemical functionalization of graphene modifies the local electron density of carbon atoms and hence electron transport. Measuring these changes allows for a closer understanding of the chemical interaction and the influence of functionalization on the graphene lattice. However, not only chemistry, in this case diazonium chemistry, has an effect on electron transport. The latter is also influenced by defects and dopants resulting from different processing steps. Here, we show that the solvents used in the chemical reaction process change the transport properties. In more detail, the investigated combination of isopropanol and heating treatment reduces the doping concentration and significantly increases the mobility of graphene. Furthermore, isopropanol treatment alone increases the concentration of dopants and introduces an asymmetry between electron and hole transport, which might be difficult to distinguish from the effect of functionalization. The results shown in this work demand a closer look at the influence of solvents used for chemical modification in order to understand their influence.

CAREM-25: considerations about primary coolant chemistry

International Nuclear Information System (INIS)

Chocron, Mauricio; Iglesias, Alberto M.; Raffo Calderon, Maria C.; Villegas, Marina

2000-01-01

World operating experience, in conjunction with basic studies has been modifying chemistry specifications for the primary coolant of water cooled nuclear reactors along with the reactor type and structural materials involved in the design. For the reactor CAREM-25, the following sources of information have been used: 1) Experience gained by the Chemistry Department of the National Atomic Energy Commission (CNEA, Argentina); 2) Participation of the Chemistry Department (CNEA) in international cooperation projects; 3) Guidelines given by EPRI, Siemens-KWU, AECL, etc. Given the main objectives: materials integrity, low radiation levels and personnel safety, which are in turn a balance between the lowest corrosion and activity transport achievable and considering that the CAREM-25 is a pressurized vessel integrated reactor, a group of guidelines for the chemistry and additives for the primary coolant have been given in the present work. (author)

Small-molecule azomethines: Organic photovoltaics via Schiff base condensation chemistry

OpenAIRE

Petrus, M.L.; Bouwer, R.K.M.; Lafont, U.; Athanasopoulos, S.; Greenham, N.C.; Dingemans, T.J.

2014-01-01

Conjugated small-molecule azomethines for photovoltaic applications were prepared via Schiff base condensation chemistry. Bulk heterojunction (BHJ) devices exhibit efficiencies of 1.2% with MoOx as the hole-transporting layer. The versatility and simplicity of the chemistry is illustrated by preparing a photovoltaic device directly from the reaction mixture without any form of workup.

Modelled transport and deposition of sulphur over Southern Africa

CSIR Research Space (South Africa)

Zunckel, M

2000-01-01

Full Text Available Ambient SO2 concentrations and atmospheric deposition of sulphur resulting from emissions on the industrialised highveld region of South Africa are estimated using the multi-scale atmospheric transport and chemistry (MATCH) modelling system...

A new 2D climate model with chemistry and self consistent eddy-parameterization. The impact of airplane NO{sub x} on the chemistry of the atmosphere

Energy Technology Data Exchange (ETDEWEB)

Gepraegs, R.; Schmitz, G.; Peters, D. [Institut fuer Atmosphaerenphysik, Kuehlungsborn (Germany)

1997-12-31

A 2D version of the ECHAM T21 climate model has been developed. The new model includes an efficient spectral transport scheme with implicit diffusion. Furthermore, photodissociation and chemistry of the NCAR 2D model have been incorporated. A self consistent parametrization scheme is used for eddy heat- and momentum flux in the troposphere. It is based on the heat flux parametrization of Branscome and mixing-length formulation for quasi-geostrophic vorticity. Above 150 hPa the mixing-coefficient K{sub yy} is prescribed. Some of the model results are discussed, concerning especially the impact of aircraft NO{sub x} emission on the model chemistry. (author) 6 refs.

A new 2D climate model with chemistry and self consistent eddy-parameterization. The impact of airplane NO{sub x} on the chemistry of the atmosphere

Energy Technology Data Exchange (ETDEWEB)

Gepraegs, R; Schmitz, G; Peters, D [Institut fuer Atmosphaerenphysik, Kuehlungsborn (Germany)

1998-12-31

A 2D version of the ECHAM T21 climate model has been developed. The new model includes an efficient spectral transport scheme with implicit diffusion. Furthermore, photodissociation and chemistry of the NCAR 2D model have been incorporated. A self consistent parametrization scheme is used for eddy heat- and momentum flux in the troposphere. It is based on the heat flux parametrization of Branscome and mixing-length formulation for quasi-geostrophic vorticity. Above 150 hPa the mixing-coefficient K{sub yy} is prescribed. Some of the model results are discussed, concerning especially the impact of aircraft NO{sub x} emission on the model chemistry. (author) 6 refs.

High-resolution air quality simulation over Europe with the chemistry transport model CHIMERE

Directory of Open Access Journals (Sweden)

E. Terrenoire

2015-01-01

The results suggest that future work should focus on the development of national bottom-up emission inventories including a better account for semi-volatile organic compounds and their conversion to SOA, the improvement of the CHIMERE urban parameterization, the introduction into CHIMERE of the coarse nitrate chemistry and an advanced parameterization accounting for windblown dust emissions.

Cold flame on Biofilm - Transport of Plasma Chemistry from Gas to Liquid Phase

Science.gov (United States)

Kong, Michael

2014-10-01

One of the most active and fastest growing fields in low-temperature plasma science today is biological effects of gas plasmas and their translation in many challenges of societal importance such as healthcare, environment, agriculture, and nanoscale fabrication and synthesis. Using medicine as an example, there are already three FDA-approved plasma-based surgical procedures for tissue ablation and blood coagulation and at least five phase-II clinical trials on plasma-assisted wound healing therapies. A key driver for realizing the immense application potential of near room-temperature ambient pressure gas plasmas, commonly known as cold atmospheric plasmas or CAP, is to build a sizeable interdisciplinary knowledge base with which to unravel, optimize, and indeed design how reactive plasma species interact with cells and their key components such as protein and DNA. Whilst a logical objective, it is a formidable challenge not least since existing knowledge of gas discharges is largely in the gas-phase and therefore not directly applicable to cell-containing matters that are covered by or embedded in liquid (e.g. biofluid). Here, we study plasma inactivation of biofilms, a jelly-like structure that bacteria use to protect themselves and a major source of antimicrobial resistance. As 60--90% of biofilm is made of water, we develop a holistic model incorporating physics and chemistry in the upstream CAP-generating region, a plasma-exit region as a buffer for as-phase transport, and a downstream liquid region bordering the gas buffer region. A special model is developed to account for rapid chemical reactions accompanied the transport of gas-phase plasma species through the gas-liquid interface and for liquid-phase chemical reactions. Numerical simulation is used to illustrate how key reactive oxygen species (ROS) are transported into the liquid, and this is supported with experimental data of both biofilm inactivation using plasmas and electron spin spectroscopy (ESR

Impact of Transport Zone Number in Simulation Models on Cost-Benefit Analysis Results in Transport Investments

Science.gov (United States)

Chmielewski, Jacek

2017-10-01

Nowadays, feasibility studies need to be prepared for all planned transport investments, mainly those co-financed with UE grants. One of the fundamental aspect of feasibility study is the economic justification of an investment, evaluated in an area of so called cost-benefit analysis (CBA). The main goal of CBA calculation is to prove that a transport investment is really important for the society and should be implemented as economically efficient one. It can be said that the number of hours (PH - passengers hours) in trips and travelled kilometres (PK - passengers kilometres) are the most important for CBA results. The differences between PH and PK calculated for particular investment scenarios are the base for benefits calculation. Typically, transport simulation models are the best source for such data. Transport simulation models are one of the most powerful tools for transport network planning. They make it possible to evaluate forecast traffic volume and passenger flows in a public transport system for defined scenarios of transport and area development. There are many different transport models. Their construction is often similar, and they mainly differ in the level of their accuracy. Even models for the same area may differ in this matter. Typically, such differences come from the accuracy of supply side representation: road and public transport network representation. In many cases only main roads and a public transport network are represented, while local and service roads are eliminated as a way of reality simplification. This also enables a faster and more effective calculation process. On the other hand, the description of demand part of these models based on transport zones is often stable. Difficulties with data collection, mainly data on land use, resulted in the lack of changes in the analysed land division into so called transport zones. In this paper the author presents an influence of land division on the results of traffic analyses, and hence

Comparison of the Transportation Risks Resulting from Accidents during the Transportation of the Spent Fuel

International Nuclear Information System (INIS)

Jeong Jong Tae; Cho, Dong Kuen; Choi, Heui Joo; Choi, Jong Won

2007-01-01

The safe, environmentally sound and publicly acceptable disposal of high level wastes and spent fuels is becoming a very important issue. The operational safety assessment of a repository including a transportation safety assessment is a fundamental part in order to achieve this goal. According to the long term management strategy for spent fuels in Korea, they will be transported from the spent fuel pools in each nuclear power plant to the central interim storage facility (CISF) which is to start operation in 2016. Therefore, we have to determine the safe and economical logistics for the transportation of these spent fuels by considering their transportation risks and costs. In this study, we developed four transportation scenarios by considering the type of transportation casks and transport means in order to suggest safe and economical transportation logistics for spent fuels. Also, we estimated and compared the transportation risks resulting from the accidents during the transportation of spent fuels for these four transportation scenarios

American Chemical Society. Division of Nuclear Chemistry and Technology

International Nuclear Information System (INIS)

Anon.

1991-01-01

The meeting of the 201st American Chemical Society Division of Nuclear Chemistry and Technology was comprised from a variety of topics in this field including: nuclear chemistry, nuclear physics, and nuclear techniques for environmental studies. Particular emphasis was given to fundamental research concerning nuclear structure (seven of the nineteen symposia) and studies of airborne particle monitoring and transport (five symposia). 105 papers were presented

Advanced studies in chemistry control with morpholine

International Nuclear Information System (INIS)

Riddle, J.M.

1992-07-01

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

Primary water chemistry optimization for extended fuel cycle operation. Results of the 'Duo experimentation' after three cycles

Energy Technology Data Exchange (ETDEWEB)

Viricel, L.; Andrieu, C.; Segura, J.C.; Rocher, A. [Electricite de France (France); Thomazet, J.; Clinard, M.H. [Framatome ANP (France); Dacquait, F. [Commissariat a l' Energie Atomique (France)

2002-07-01

The primary coolant conditioning in French nuclear power plants is essentially based on the boron-lithium coordinated chemistry, with a target pH of 7.2 at 300 C and a maximum lithium concentration of 2.2 mg/kg. In 1996, EDF 1300 MWe units began operating 18-month fuel cycles, increasing boron concentrations at the beginning of the cycles. Since today the maximum lithium concentration in normal operation is 2.2 mg/kg, extended cycle operation results in a decrease in the pH at the beginning of the cycles, which may possibly lead to deposits in RCS, and particularly on the fuel cladding, and increased dose rates. It has to be noted that today, the fuel assemblies maximum burnup is set at 52 GWd/tU. One solution is to adjust the pH by increasing the lithium content at the beginning of the cycles, which is easy to implement and does not require any modification on the units. Hence, EDF is testing a ''modified'' chemistry regime in the << Duo experimentation >> during 4 fuel cycles, with a maximum authorized lithium content of 3.5 mg/kg at the beginning of the cycles in the Cattenom 2 pilot unit. The Golfech 1 reference unit implements a standard boron-lithium coordination pH{sub 300} 7.2. The major goal of the experimentation is to assess the impact of elevated lithium concentrations at the beginning of the cycles on fuel cladding oxide behavior, mass transport and dose rates. This paper presents the results of the first three cycles of the Duo experimentation. (author)

Advanced chemistry management system to optimize BWR chemistry control

International Nuclear Information System (INIS)

Maeda, K.; Nagasawa, K.

2002-01-01

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

Transporters affecting biochemical test results: Creatinine-drug interactions.

Science.gov (United States)

Chu, X; Bleasby, K; Chan, G H; Nunes, I; Evers, R

2016-11-01

Creatinine is eliminated by the kidneys through a combination of glomerular filtration and active transport. Drug-induced increases in serum creatinine (SCr) and/or reduced creatinine renal clearance are used as a marker for acute kidney injury. However, inhibition of active transport of creatinine can result in reversible and, therefore, benign increases in SCr levels. Herein, the transporters involved in creatinine clearance are discussed, in addition to limitations of using creatinine as a biomarker for kidney damage. © 2016 American Society for Clinical Pharmacology and Therapeutics.

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

International Nuclear Information System (INIS)

Mallet, Vivien

2005-01-01

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

Foundation Coursework in Undergraduate Inorganic Chemistry: Results from a National Survey of Inorganic Chemistry Faculty

Science.gov (United States)

Raker, Jeffrey R.; Reisner, Barbara A.; Smith, Sheila R.; Stewart, Joanne L.; Crane, Johanna L.; Pesterfield, Les; Sobel, Sabrina G.

2015-01-01

A national survey of inorganic chemists explored the self-reported topics covered in foundation-level courses in inorganic chemistry at the postsecondary level; the American Chemical Society's Committee on Professional Training defines a foundation course as one at the conclusion of which, "a student should have mastered the vocabulary,…

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

International Nuclear Information System (INIS)

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

1990-01-01

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

C1 CHEMISTRY FOR THE PRODUCTION OF ULTRA-CLEAN LIQUID TRANSPORTATION FUELS AND HYDROGEN

Energy Technology Data Exchange (ETDEWEB)

Gerald P. Huffman

2003-09-30

The Consortium for Fossil Fuel Science (CFFS) is a research consortium with participants from the University of Kentucky, University of Pittsburgh, University of Utah, West Virginia University, and Auburn University. The CFFS is conducting a research program to develop C1 chemistry technology for the production of clean transportation fuel from resources such as coal and natural gas, which are more plentiful domestically than petroleum. The processes under development will convert feedstocks containing one carbon atom per molecular unit into ultra clean liquid transportation fuels (gasoline, diesel, and jet fuel) and hydrogen, which many believe will be the transportation fuel of the future. These feedstocks include synthesis gas, a mixture of carbon monoxide and hydrogen produced by coal gasification or reforming of natural gas, methane, methanol, carbon dioxide, and carbon monoxide. Some highlights of the results obtained during the first year of the current research contract are summarized as: (1) Terminal alkynes are an effective chain initiator for Fischer-Tropsch (FT) reactions, producing normal paraffins with C numbers {ge} to that of the added alkyne. (2) Significant improvement in the product distribution towards heavier hydrocarbons (C{sub 5} to C{sub 19}) was achieved in supercritical fluid (SCF) FT reactions compared to that of gas-phase reactions. (3) Xerogel and aerogel silica supported cobalt catalysts were successfully employed for FT synthesis. Selectivity for diesel range products increased with increasing Co content. (4) Silicoaluminophosphate (SAPO) molecular sieve catalysts have been developed for methanol to olefin conversion, producing value-added products such as ethylene and propylene. (5) Hybrid Pt-promoted tungstated and sulfated zirconia catalysts are very effective in cracking n-C{sub 36} to jet and diesel fuel; these catalysts will be tested for cracking of FT wax. (6) Methane, ethane, and propane are readily decomposed to pure

Chemistry and Transport In a Multi-Dimensional Model

Science.gov (United States)

Yung, Yuk L.; Allen, M.; Zurek, R. W.; Salawitch, R. J.

2002-01-01

The focus of the work funded under this proposal is the exchange between the stratosphere and the troposphere, and between the troposphere and the blaspheme. These two interfaces represent the frontiers of atmospheric chemistry. It is the combination of exchange processes at both interfaces that ultimately controls how the blaspheme (including human activities) affects the ozone layer. The modeling work was motivated by and attempts to integrate information obtained by aircraft, spacecraft, shuttle and oceanic measurements. The model development and research activities accomplished in the past three years provide a technical and intellectual basis for the research in this group. The innovative part of our research program is related to the IAV of ozone and the hydrological cycle. Other related but independently supported work include the study of isotopic fractionation of atmospheric species, e.g., N2O and CO2. Our theory suggests that we now have the ability to probe the middle atmosphere at a level of sensitivity where subtle details such as the isotopic composition of simple molecules can yield measurable systematic effects. This creates the possibility for probing the chemistry and dynamics of the middle atmosphere using all of the N2O and CO2 isotopologues. In the following we will briefly describe the model development and review the highlights of recent accomplishments.

Integrated modeling and characterization of local crack chemistry

International Nuclear Information System (INIS)

Savchik, J.A.; Burke, M.S.

1996-01-01

The MULTEQ computer program has become an industry wide tool which can be used to calculate the chemical composition in a flow occluded region as the solution within concentrates due to a local boiling process. These results can be used to assess corrosion concerns in plant equipment such as steam generators. Corrosion modeling attempts to quantify corrosion assessments by accounting for the mass transport processes involved in the corrosion mechanism. MULTEQ has played an ever increasing role in defining the local chemistry for such corrosion models. This paper will outline how the integration of corrosion modeling with the analysis of corrosion films and deposits can lead to the development of a useful modeling tool, wherein MULTEQ is interactively linked to a diffusion and migration transport process. This would provide a capability to make detailed inferences of the local crack chemistry based on the analyses of the local corrosion films and deposits inside a crack and thus provide guidance for chemical fixes to avoid cracking. This methodology is demonstrated for a simple example of a cracked tube. This application points out the utility of coupling MULTEQ with a mass transport process and the feasibility of an option in a future version of MULTEQ that would permit relating film and deposit analyses to the local chemical environment. This would increase the amount of information obtained from removed tube analyses and laboratory testing that can contribute to an overall program for mitigating tubing and crevice corrosion

Integrated modeling and characterization of local crack chemistry

International Nuclear Information System (INIS)

Savchik, J.A.; Burke, M.S.

1995-01-01

The MULTEQ computer program has become an industry wide tool which can be used to calculate the chemical composition in a flow occluded region as the solution within concentrates due to a local boiling process. These results can be used to assess corrosion concerns in plant equipment such as steam generators. Corrosion modeling attempts to quantify corrosion assessments by accounting for the mass transport processes involved in the corrosion mechanism. MULTEQ has played an ever increasing role in defining the local chemistry for such corrosion models. This paper will outline how the integration of corrosion modeling with the analysis of corrosion films and deposits can lead to the development of a useful modeling tool, wherein MULTEQ is interactively linked to a diffusion and migration transport process. This would provide a capability to make detailed inferences of the local crack chemistry based on the analyses of the local corrosion films and deposits inside a crack and thus provide guidance for chemical fixes to avoid cracking. This methodology is demonstrated for a simple example of a cracked tube. This application points out the utility of coupling MULTEQ with a mass transport process and the feasibility of an option in a future version of MULTEQ that would permit relating film and deposit analyses to the local chemical environment. This would increase the amount of information obtained from removed tube analyses and laboratory testing that can contribute to an overall program for mitigating tubing and crevice corrosion

Consequences of unburned hydrocarbons on microstreamer dynamics and chemistry during plasma remediation of NO sub x using dielectric barrier discharges

CERN Document Server

Dorai, R

2003-01-01

Atmospheric pressure plasmas, and dielectric barrier discharges (DBDs) in particular, are being investigated for their use in the remediation of nitrogen oxides (NO sub x) from automotive exhausts. In their normal mode of operation, DBDs consist of a large density of short-lived filamentary microdischarges. Localized energy deposition results in spatially nonuniform gas temperatures and species densities which initiate advective and diffusive transport. Diesel exhausts, one of the major sources of NO sub x , typically contain unburned hydrocarbons (UHCs) which significantly influence the NO sub x chemistry during plasma remediation. In this paper, we discuss results from a computational investigation of the consequences of UHC chemistry on radial transport dynamics and remediation of NO sub x. In the presence of UHCs, radicals such as O and OH are dominantly consumed in the microstreamer region and their transport to larger radii is reduced. As a result, the conversion of NO to NO sub 2 is mainly restricted t...

Radiation chemistry and origins of life on earth

International Nuclear Information System (INIS)

Zagorski, Z.P.

2002-01-01

Complete text of publication follows. Radiation chemistry is involved in mechanisms of origins of life on Earth in three aspects: 1. The formation of prebiotic 'soup' of organic compounds related to future life, 2. Possible role in formation of pure enantiomers of chiral compounds, 3. Role in rejection of hypothesis of Life transported from the outside worlds (Panspermia). As concerns 1, radiation chemistry explains better the formation of proper prebiotic 'soup' than Miller hypothesis of electric discharges in gaseous atmosphere. Radiation-induced reactions proceeded in liquid phase, also in the presence of solid state and as specific surface reactions, all at the ambient temperature. As concerns 2, radiation chemistry offers limited possibilities, but papers still are published to that effect and efforts are needed to tell facts from artifacts. As concerns 3, radiation chemistry and its cousin - radiobiology speak out definitively, that any transportation of life, even of low organisation, from the outer space is impossible. The main reason is irreversible dehydrogenation even at very low temperatures, during the travel lasting for years and light-years. The same applies in higher degree to the well organised life, making an appearance of 'ET' on Earth not likely. Even the manned travels to Mars and living in houses at the surface, can end with radiation sickness and premature death

Stratospheric General Circulation with Chemistry Model (SGCCM)

Science.gov (United States)

Rood, Richard B.; Douglass, Anne R.; Geller, Marvin A.; Kaye, Jack A.; Nielsen, J. Eric; Rosenfield, Joan E.; Stolarski, Richard S.

1990-01-01

In the past two years constituent transport and chemistry experiments have been performed using both simple single constituent models and more complex reservoir species models. Winds for these experiments have been taken from the data assimilation effort, Stratospheric Data Analysis System (STRATAN).

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)

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)

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

Reply to 'Comment on kinetic modeling of microbially-driven redox chemistry of subsurface environments: coupling transport, microbial metabolism and geochemistry' by J. Griffioen

Science.gov (United States)

Hunter, K. S.; Van Cappellen, P.

2000-01-01

Our paper, 'Kinetic modeling of microbially-driven redox chemistry of subsurface environments: coupling transport, microbial metabolism and geochemistry' (Hunter et al., 1998), presents a theoretical exploration of biogeochemical reaction networks and their importance to the biogeochemistry of groundwater systems. As with any other model, the kinetic reaction-transport model developed in our paper includes only a subset of all physically, biologically and chemically relevant processes in subsurface environments. It considers aquifer systems where the primary energy source driving microbial activity is the degradation of organic matter. In addition to the primary biodegradation pathways of organic matter (i.e. respiration and fermentation), the redox chemistry of groundwaters is also affected by reactions not directly involving organic matter oxidation. We refer to the latter as secondary reactions. By including secondary redox reactions which consume reduced reaction products (e.g., Mn2+, FeS, H2S), and in the process compete with microbial heterotrophic populations for available oxidants (i.e. O2, NO3-, Mn(IV), Fe(III), SO42-), we predict spatio-temporal distributions of microbial activity which differ significantly from those of models which consider only the biodegradation reactions. That is, the secondary reactions have a significant impact on the distributions of the rates of heterotrophic and chemolithotrophic metabolic pathways. We further show that secondary redox reactions, as well as non-redox reactions, significantly influence the acid-base chemistry of groundwaters. The distributions of dissolved inorganic redox species along flowpaths, however, are similar in simulations with and without secondary reactions (see Figs. 3(b) and 7(b) in Hunter et al., 1998), indicating that very different biogeochemical reaction dynamics may lead to essentially the same chemical redox zonation of a groundwater system.

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)

Iterative ensemble variational methods for nonlinear data assimilation: Application to transport and atmospheric chemistry

International Nuclear Information System (INIS)

Haussaire, Jean-Matthieu

2017-01-01

Data assimilation methods are constantly evolving to adapt to the various application domains. In atmospheric sciences, each new algorithm has first been implemented on numerical weather prediction models before being ported to atmospheric chemistry models. It has been the case for 4D variational methods and ensemble Kalman filters for instance. The new 4D ensemble variational methods (4D EnVar) are no exception. They were developed to take advantage of both variational and ensemble approaches and they are starting to be used in operational weather prediction centers, but have yet to be tested on operational atmospheric chemistry models. The validation of new data assimilation methods on these models is indeed difficult because of the complexity of such models. It is hence necessary to have at our disposal low-order models capable of synthetically reproducing key physical phenomena from operational models while limiting some of their hardships. Such a model, called L95-GRS, has therefore been developed. Il combines the simple meteorology from the Lorenz-95 model to a tropospheric ozone chemistry module with 7 chemical species. Even though it is of low dimension, it reproduces some of the physical and chemical phenomena observable in real situations. A data assimilation method, the iterative ensemble Kalman smoother (IEnKS), has been applied to this model. It is an iterative 4D EnVar method which solves the full non-linear variational problem. This application validates 4D EnVar methods in the context of non-linear atmospheric chemistry, but also raises the first limits of such methods, most noticeably when they are applied to weakly coupled stable models. After this experiment, results have been extended to a realistic atmospheric pollution prediction model. 4D EnVar methods, via the IEnKS, have once again shown their potential to take into account the non-linearity of the chemistry model in a controlled environment, with synthetic observations. However, the

BLT-EC (Breach, Leach and Transport-Equilibrium Chemistry) data input guide. A computer model for simulating release and coupled geochemical transport of contaminants from a subsurface disposal facility

International Nuclear Information System (INIS)

MacKinnon, R.J.; Sullivan, T.M.; Kinsey, R.R.

1997-05-01

The BLT-EC computer code has been developed, implemented, and tested. BLT-EC is a two-dimensional finite element computer code capable of simulating the time-dependent release and reactive transport of aqueous phase species in a subsurface soil system. BLT-EC contains models to simulate the processes (container degradation, waste-form performance, transport, chemical reactions, and radioactive production and decay) most relevant to estimating the release and transport of contaminants from a subsurface disposal system. Water flow is provided through tabular input or auxiliary files. Container degradation considers localized failure due to pitting corrosion and general failure due to uniform surface degradation processes. Waste-form performance considers release to be limited by one of four mechanisms: rinse with partitioning, diffusion, uniform surface degradation, and solubility. Transport considers the processes of advection, dispersion, diffusion, chemical reaction, radioactive production and decay, and sources (waste form releases). Chemical reactions accounted for include complexation, sorption, dissolution-precipitation, oxidation-reduction, and ion exchange. Radioactive production and decay in the waste form is simulated. To improve the usefulness of BLT-EC, a pre-processor, ECIN, which assists in the creation of chemistry input files, and a post-processor, BLTPLOT, which provides a visual display of the data have been developed. BLT-EC also includes an extensive database of thermodynamic data that is also accessible to ECIN. This document reviews the models implemented in BLT-EC and serves as a guide to creating input files and applying BLT-EC

Atmospheric Chemistry Over Southern Africa

Science.gov (United States)

Gatebe, Charles K.; Levy, Robert C.; Thompson, Anne M.

2011-01-01

campaigns such as Transport and Atmospheric Chemistry Near the Equator-Atlantic (TRACE-A), Southern African Fire-Atmosphere Research Initiative (SAFARI-92), and Southern African Regional Science Initiative (SAFARI 2000). Since those large international efforts, satellites have matured enough to enable quantifiable measurements of regional land surface, atmosphere, and ocean. In addition, global and chemical transport models have also been advanced to incorporate various data. Thus, the timing of the workshop was right for a full-fledged re-assessment of the chemistry, physics, and socio-economical impacts caused by pollution in the region, including a characterization of sources, deposition, and feedbacks with climate change.

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.

Isotope and Nuclear Chemistry Division annual report FY 1986, October 1985-September 1986

International Nuclear Information System (INIS)

Heiken, J.H.

1987-06-01

This report describes progress in the major research and development programs carried out in FY 1986 by the Isotope and Nuclear Chemistry Division. The report includes articles on radiochemical diagnostics and weapons tests; weapons radiochemical diagnostics research and development; other unclassified weapons research; stable and radioactive isotope production and separation; chemical biology and nuclear medicine; element and isotope transport and fixation; actinide and transition metal chemistry; structural chemistry, spectroscopy, and applications; nuclear structure and reactions; irradiation facilities; advanced concepts and technology; and atmospheric chemistry

Isotope and Nuclear Chemistry Division annual report FY 1986, October 1985-September 1986

Energy Technology Data Exchange (ETDEWEB)

Heiken, J.H. (ed.)

1987-06-01

This report describes progress in the major research and development programs carried out in FY 1986 by the Isotope and Nuclear Chemistry Division. The report includes articles on radiochemical diagnostics and weapons tests; weapons radiochemical diagnostics research and development; other unclassified weapons research; stable and radioactive isotope production and separation; chemical biology and nuclear medicine; element and isotope transport and fixation; actinide and transition metal chemistry; structural chemistry, spectroscopy, and applications; nuclear structure and reactions; irradiation facilities; advanced concepts and technology; and atmospheric chemistry.

Chemistry control challenges in a supercritical water-cooled reactor

International Nuclear Information System (INIS)

Guzonas, David; Tremaine, Peter; Jay-Gerin, Jean-Paul

2009-01-01

The long-term viability of a supercritical water-cooled reactor (SCWR) will depend on the ability of designers to predict and control water chemistry to minimize corrosion and the transport of corrosion products and radionuclides. Meeting this goal requires an enhanced understanding of water chemistry as the temperature and pressure are raised beyond the critical point. A key aspect of SCWR water chemistry control will be mitigation of the effects of water radiolysis; preliminary studies suggest markedly different behavior than that predicted from simple extrapolations from conventional water-cooled reactor behavior. The commonly used strategy of adding excess hydrogen at concentrations sufficient to suppress the net radiolytic production of primary oxidizing species may not be effective in an SCWR. The behavior of low concentrations of impurities such as transition metal corrosion products, chemistry control agents, anions introduced via make-up water or from ion-exchange resins, and radionuclides (e.g., 60 Co) needs to be understood. The formation of neutral complexes increases with temperature, and can become important under near-critical and supercritical conditions; the most important region is from 300-450 C, where the properties of water change dramatically, and solvent compressibility effects exert a huge influence on solvation. The potential for increased transport and deposition of corrosion products (active and inactive), leading to (a) increased deposition on fuel cladding surfaces, and (b) increased out-of-core radiation fields and worker dose, must be assessed. There are also significant challenges associated with chemistry sampling and monitoring in an SCWR. The typical methods used in current reactor designs (grab samples, on-line monitors at the end of a cooled, depressurized sample line) will be inadequate, and in-situ measurements of key parameters will be required. This paper describes current Canadian activities in SCWR chemistry and chemistry

Coupled transport and chemistry in clay stone studied by advective displacement: experiments and model

International Nuclear Information System (INIS)

Landesman, C.; Grambow, B.; Bailly, C.; Ribet, S.; Perrigaud, K.; Baty, V.; Giffaut, E.

2010-01-01

Document available in extended abstract form only. Full text of publication entered in this record. For assessing the mass transfer resistance of the Callovo-Oxfordian clay rock formation in case of implementing a nuclear waste repository, various strongly coupled processes need to be understood and quantified both in near and far field: multi-species diffusion/advection, mineral/pore water interaction, interaction with the waste matrix and engineered barrier material, radionuclide retention, colloid transport, pore water chemistry evolution etc. To study many of these processes in their interrelationship simultaneously, a series of high pressure stainless steel advection cell was designed and clay cores from different locations of different calcite and clay contents were machined to fit the inner diameter of the cells with a precision of 50 μm. After assembling, simulated oxygen free clay pore water with bromine tracer was pushed by a High Pressure pump through the reactor by a pressure of up 100 bars at temperatures between 20 and 90 deg. C and the out-flowing water was collected, protected from air and analyzed by ICP-MS, COT meter and ion chromatography in regular time intervals. The water flow rate was between 0.02 and 1.2 mL/ d, corresponding to a clay rock permeabilities between 10 -12 and 10 -14 m/s at 25 deg. C. Permeabilities increase with temperature as expected due to reduction of viscosity of water. The experiments last up to 2 years. The first drops of out flowing allow estimating the initial pore water composition. This is particular useful to assess mobile natural organic matter contents, Se concentrations and temperature effect on clay water composition. Results show that only very small organic molecules are mobile. Temperature had only little effect on water composition. After few months both tritiated (HTO) water and 36 Cl were added and from the evolution of the activities in the out flowing water dispersion coefficients and accessible

A Zooming Technique for Wind Transport of Air Pollution

NARCIS (Netherlands)

Berkvens, P.J.F.; Bochev, Mikhail A.; Lioen, W.; Verwer, J.G.

In air pollution dispersion models, typically systems of millions of equations that describe wind transport, chemistry and vertical mixing have to be integrated in time. To have more accurate results over specific fixed areas of interest---usually highly polluted areas with intensive emissions---a

A zooming technique for wind transport of air pollution

NARCIS (Netherlands)

Vilsmeier, R.; Berkvens, P.J.F.; Benkhaldoun, F.; Bochev, Mikhail A.; Lioen, W.M.; Haenel, D.; Verwer, J.G.

1999-01-01

In air pollution dispersion models, typically systems of millions of equations that describe wind transport, chemistry and vertical mixing have to be integrated in time. To have more accurate results over specific fixed areas of interest---usually highly polluted areas with intensive emissions---a

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)

The Australian methane budget: Interpreting surface and train-borne measurements using a chemistry transport model

Science.gov (United States)

Fraser, Annemarie; Chan Miller, Christopher; Palmer, Paul I.; Deutscher, Nicholas M.; Jones, Nicholas B.; Griffith, David W. T.

2011-10-01

We investigate the Australian methane budget from 2005-2008 using the GEOS-Chem 3D chemistry transport model, focusing on the relative contribution of emissions from different sectors and the influence of long-range transport. To evaluate the model, we use in situ surface measurements of methane, methane dry air column average (XCH4) from ground-based Fourier transform spectrometers (FTSs), and train-borne surface concentration measurements from an in situ FTS along the north-south continental transect. We use gravity anomaly data from Gravity Recovery and Climate Experiment to describe the spatial and temporal distribution of wetland emissions and scale it to a prior emission estimate, which better describes observed atmospheric methane variability at tropical latitudes. The clean air sites of Cape Ferguson and Cape Grim are the least affected by local emissions, while Wollongong, located in the populated southeast with regional coal mining, samples the most locally polluted air masses (2.5% of the total air mass versus Asia, accounting for ˜25% of the change in surface concentration above background. At Cape Ferguson and Cape Grim, emissions from ruminant animals are the largest source of methane above background, at approximately 20% and 30%, respectively, of the surface concentration. At Wollongong, emissions from coal mining are the largest source above background representing 60% of the surface concentration. The train data provide an effective way of observing transitions between urban, desert, and tropical landscapes.

The rationale for improving EDF chemistry plan for the next years

International Nuclear Information System (INIS)

Bretelle, J.L.; Stutzmann, A.

2012-09-01

Although the chemistry of PWR NPPs seems to reach more and more the best practices to keep the NPPs safe, it can be noted that different strategic approaches could be adopted depending on the operation events, the strategy of companies for the future and external constraints such as environmental rules to comply with. This paper describes different improvements leading to optimize the chemistry of the French NPPs. Those improvements result from: - the operation modifications and data coming from new tools to survey the operation process; - the need to intensify the surveillance to anticipate events like SG clogging; - the need to take into account the material ageing and a longer life duration up to 60 years; - the need to adapt the strategy for the waste treatment to comply with environmental rules... All these considerations lead EDF to review: - the way to elaborate the chemistry guidelines differently to be able to improve the surveillance; - the implication of chemistry on deviation of physical parameters like the flow rate; - what is relevant with the long life duration taking into account the planned replacements of materials and their ageing; - the combined strategies of several chemistry levers to manage phenomena like stress corrosion cracking or mass transport; - what is needed to implement or even anticipate because of new environmental constraints. (authors)

Nighttime NOx Chemistry in Coal-Fired Power Plant Plumes

Science.gov (United States)

Fibiger, D. L.; McDuffie, E. E.; Dube, W. P.; Veres, P. R.; Lopez-Hilfiker, F.; Lee, B. H.; Green, J. R.; Fiddler, M. N.; Ebben, C. J.; Sparks, T.; Weinheimer, A. J.; Montzka, D.; Campos, T. L.; Cohen, R. C.; Bililign, S.; Holloway, J. S.; Thornton, J. A.; Brown, S. S.

2015-12-01

Nitrogen oxides (NOx = NO + NO2) play a key role in atmospheric chemistry. During the day, they catalyze ozone (O3) production, while at night they can react to form nitric acid (HNO3) and nitryl chloride (ClNO2) and remove O3 from the atmosphere. These processes are well studied in the summer, but winter measurements are more limited. Coal-fired power plants are a major source of NOx to the atmosphere, making up approximately 30% of emissions in the US (epa.gov). NOx emissions can vary seasonally, as well as plant-to-plant, with important impacts on the details of the plume chemistry. In particular, due to inefficient plume dispersion, nighttime NOx emissions from power plants are held in concentrated plumes, where rates of mixing with ambient O3 have a strong influence on plume evolution. We will show results from the aircraft-based WINTER campaign over the northeastern United States, where several nighttime intercepts of power plant plumes were made. Several of these intercepts show complete O3 titration, which can have a large influence on NOx lifetime, and thus O3 production, in the plume. When power plant NO emissions exceed background O3 levels, O3 is completely consumed converting NO to NO2. In the presence of O3, NO2 will be oxidized to NO3, which will then react with NO2 to form N2O5, which can then form HNO3 and/or ClNO2 and, ultimately, remove NOx from the atmosphere or provide next-day oxidant sources. If there is no O3 present, however, no further chemistry can occur and NO and NO2 will be transported until mixing with sufficient O3 for higher oxidation products. Modeling results of plume development and mixing, which can tell us more about this transport, will also be presented.

Atom-at-a-time chemistry

International Nuclear Information System (INIS)

Nagame, Yuichiro

2009-01-01

Several techniques of the analytical chemistry in 'Atom-at-a-time chemistry' for transactinide elements have been developed. In this report a representative example in these techniques is introduced with the results. The contents are the single-atom chemistry, the chemical experiments on transactinide elements, liquid phase chemistry (the ion exchange behavior of Rutherfordium), gas phase chemistry (the chemistry of atomic No.112 element), and future development. (M.H.)

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.)

Metal transport across biomembranes: emerging models for a distinct chemistry.

Science.gov (United States)

Argüello, José M; Raimunda, Daniel; González-Guerrero, Manuel

2012-04-20

Transition metals are essential components of important biomolecules, and their homeostasis is central to many life processes. Transmembrane transporters are key elements controlling the distribution of metals in various compartments. However, due to their chemical properties, transition elements require transporters with different structural-functional characteristics from those of alkali and alkali earth ions. Emerging structural information and functional studies have revealed distinctive features of metal transport. Among these are the relevance of multifaceted events involving metal transfer among participating proteins, the importance of coordination geometry at transmembrane transport sites, and the presence of the largely irreversible steps associated with vectorial transport. Here, we discuss how these characteristics shape novel transition metal ion transport models.

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,

Spin probes of chemistry in zeolites

International Nuclear Information System (INIS)

Werst, D.W.; Trifunac, A.D.

1997-09-01

Electron spin resonance (EPR) studies in zeolites are reviewed in which radiolysis was used to ionize the zeolite lattice, create reactive intermediates, spin label reaction products and to provide a window onto chemistry and transport of adsorbates and matrix control of chemistry. The review examines reactions of radical cations and the influence of the geometry constraints inside the zeolite, explores how zeolite model systems can be used to learn about energy and charge transfer in solids and illustrates the use of radiolysis and EPR for in situ spectroscopic studies of solid-acid catalysis. The various spin probes created inside the zeolite pores report on properties of the zeolites as well as shed light on radiolytic processes

VERTICAL MIXING AND CHEMISTRY OVER AN ARID URBAN SITE: FIRST RESULTS FROM AIRCRAFT OBSERVATIONS MADE DURING THE PHOENIX SUNRISE CAMPAIGN

International Nuclear Information System (INIS)

BERKOWITZ, C.M.; SPRINGSTON, S.R.; DORAN, J.C.; FAST, J.D.

2002-01-01

The role of boundary layer mixing is increasingly recognized as an important factor in determining the concentrations of ozone and other trace gases near the surface. While the concentrations at the surface can vary widely due to horizontal transport of chemical plumes, the boundary layer is also characterized by turbulence that follows a diurnal cycle in height and intensity. Surface oxidant concentrations can therefore undergo significant changes even in the absence of photochemistry. A central goal of the Phoenix 2001 Field Campaign was to study vertical mixing with the onset of convection and to quantify the effect of this mixing on chemistry within an urban boundary layer. As part of this study, a series of low altitude aircraft sampling flights were made over the Greater Phoenix area between June 16-30, 2001. The resulting observations, in conjunction with a series of surface measurements and meteorological observations, are being used to study the vertical transport and reactivity of ozone and ozone-precursors shortly after sunrise. Additional details of this campaign are given in Doran, et al. (2002). It was anticipated that turbulence over Phoenix at night would be suppressed as a result of cooling of the boundary layer over the city. By sampling shortly after sunrise, we hoped to collect measurements above the residual nocturnal stable layer and to continue sampling through the developmental period of a convectively active boundary layer. We report here on the first analysis of these observations, made from a Gulstream-1 (G-1) aircraft operated by the U.S. Department of Energy

Baseline hematology and clinical chemistry results from captive-raised trumpeter swans

Science.gov (United States)

Olsen, Glenn H.; Rininger, D.L.; Ets, M.K.; Sladen, William J. L.; Rees, Eileen C.; Earnst, Susan L.; Coulson, John C.

2002-01-01

Results from hematology and clinical chemistry tests are presented for healthy captive-raised Trumpeter Swans (Cygnus buccinator) to help establish baseline data. Blood samples were obtained from 14 cygnets between the ages of three to four and seven to eight months that were the subjects of a study to teach migration routes to swans. Males and females differed significantly in asparatate aminotransferase, alanine aminotransferase and total protein. Age categories differed significantly in hematocrit, white blood cell counts, alkaline phosphatase, aspar-rate aminotransferase, glucose, cholesterol and uric acid. There were no significant differences among age categories in values of alanine aminotransferase, calcium, triglycerides and total protein.

Observations of Inland Snowpack-driven Bromine Chemistry near the Brooks Range, Alaska

Science.gov (United States)

Peterson, P.; Pöhler, D.; Sihler, H.; Zielcke, J.; S., General; Friess, U.; Platt, U.; Simpson, W. R.; Nghiem, S. V.; Shepson, P. B.; Stirm, B. H.; Pratt, K.

2017-12-01

The snowpack produces high amounts of reactive bromine in the polar regions during spring. The resulting atmospheric bromine chemistry depletes boundary layer ozone to near-zero levels and alters oxidation of atmospheric pollutants, particularly elemental mercury. To improve our understanding of the spatial extent of this bromine chemistry in Arctic coastal regions, the Purdue Airborne Laboratory for Atmospheric Research (ALAR), equipped with the Heidelberg Imaging differential optical absorption spectroscopy (DOAS) instrument, measured the spatial distribution of BrO, an indicator of active bromine chemistry, over northern Alaska during the March 2012 BRomine Ozone Mercury Experiment (BROMEX). Here we show that this bromine chemistry, commonly associated with snow-covered sea ice regions in the Arctic Ocean, is active 200 km inland in the foothills of the Brooks Range. Profiles retrieved from limb-viewing measurements show this event was located near the snowpack surface, with measured BrO mole ratios of 20 pmol mol-1 in a 500 m thick layer. This observed bromine chemistry is likely enabled by deposition of transported sea salt aerosol or gas phase bromine species from prior activation events to the snowpack. These observations of halogen activation hundreds of km from the coast suggest the impacts of this springtime bromine chemistry are not restricted to sea ice regions and directly adjacent coastal regions.

Isotope and nuclear chemistry division. Annual report, FY 1987. Progress report, October 1986-September 1987

International Nuclear Information System (INIS)

Barr, D.W.; Heiken, J.H.

1988-05-01

This report describes progress in the major research and development programs carried out in FY 1987 by the Isotope and Nuclear Chemistry Division. The report includes articles on radiochemical weapons diagnostics and research and development; other unclassified weapons research; stable and radioactive isotope production and separation; chemical biology and nuclear medicine; element and isotope transport and fixation; actinide and transition metal chemistry; structural chemistry, spectroscopy, and applications; nuclear structure and reactions; irradiation facilities; advanced concepts and technology; and atmospheric chemistry

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

Selection of organic chemicals for subsurface transport. Subsurface transport program interaction seminar series. Summary

International Nuclear Information System (INIS)

Zachara, J.M.; Wobber, F.J.

1984-11-01

Model compounds are finding increasing use in environmental research. These individual compounds are selected as surrogates of important contaminants present in energy/defense wastes and their leachates and are used separately or as mixtures in research to define the anticipated or ''model'' environmental behavior of key waste components and to probe important physicochemical mechanisms involved in transport and fate. A seminar was held in Germantown, Maryland, April 24-25, 1984 to discuss the nature of model organic compounds being used for subsurface transport research. The seminar included participants experienced in the fields of environmental chemistry, microbiology, geohydrology, biology, and analytic chemistry. The objectives of the seminar were two-fold: (1) to review the rationale for the selection of organic compounds adopted by research groups working on the subsurface transport of organics, and (2) to evaluate the use of individual compounds to bracket the behavior of compound classes and compound constructs to approximate the behavior of complex organic mixtures

Causes and impacts of changes in the stratospheric meridional circulation in a chemistry-climate model

Energy Technology Data Exchange (ETDEWEB)

Garny, Hella

2011-05-13

The stratospheric meridional circulation is projected to be subject to changes due to enhanced greenhouse-gas concentrations in the atmosphere. This study aims to diagnose and explain long-term changes in the stratospheric meridional circulation using the chemistry-climate model E39CA. The diagnosed strengthening of the circulation is found to be driven by increases in tropical sea surface temperatures which lead to a strengthening and upward shift of the subtropical jets. This enables enhanced vertical propagation of large scale waves into the lower stratosphere, and therefore stronger local wave forcing of the meridional circulation in the tropical lower stratosphere. The impact of changes in transport on the ozone layer is analysed using a newly developed method that allows the separation of the effects of transport and chemistry changes on ozone. It is found that future changes of mean stratospheric ozone concentrations are largely determined by changes in chemistry, while changes in transport of ozone play a minor role. (orig.)

New electronics stuff chemistry

International Nuclear Information System (INIS)

Byeon, Su Il

2003-04-01

The first part of this book is about equilibrium electrochemistry on electric thermo dynamic equilibrium state of electrochemistry, crystal defect of solid, thermodynamics on defect electron and election in semiconductor, Gawani potential, volta potential and equilibrium potential and thermodynamics application in Gawani battery. The second part deals with dynamic electrochemistry electrode reaction kinetics and corrosion potential in normal state, diffusion and transport of ion and electron and current impedance spectroscopy. It also mentions industrial electrochemistry and laboratory works in electronics chemistry course.

Chemistry of groundwater discharge inferred from longitudinal river sampling

Science.gov (United States)

Batlle-Aguilar, J.; Harrington, G. A.; Leblanc, M.; Welch, C.; Cook, P. G.

2014-02-01

We present an approach for identifying groundwater discharge chemistry and quantifying spatially distributed groundwater discharge into rivers based on longitudinal synoptic sampling and flow gauging of a river. The method is demonstrated using a 450 km reach of a tropical river in Australia. Results obtained from sampling for environmental tracers, major ions, and selected trace element chemistry were used to calibrate a steady state one-dimensional advective transport model of tracer distribution along the river. The model closely reproduced river discharge and environmental tracer and chemistry composition along the study length. It provided a detailed longitudinal profile of groundwater inflow chemistry and discharge rates, revealing that regional fractured mudstones in the central part of the catchment contributed up to 40% of all groundwater discharge. Detailed analysis of model calibration errors and modeled/measured groundwater ion ratios elucidated that groundwater discharging in the top of the catchment is a mixture of local groundwater and bank storage return flow, making the method potentially useful to differentiate between local and regional sourced groundwater discharge. As the error in tracer concentration induced by a flow event applies equally to any conservative tracer, we show that major ion ratios can still be resolved with minimal error when river samples are collected during transient flow conditions. The ability of the method to infer groundwater inflow chemistry from longitudinal river sampling is particularly attractive in remote areas where access to groundwater is limited or not possible, and for identification of actual fluxes of salts and/or specific contaminant sources.

Atmospheric and precipitation chemistry over the North Atlantic Ocean: Shipboard results, April-May 1984

Science.gov (United States)

Church, T. M.; Tramontano, J. M.; Whelpdale, D. M.; Andreae, M. O.; Galloway, J. N.; Keene, W. C.; Knap, A. H.; Tokos, J.

1991-10-01

During a North Atlantic cruise from Dakar, Senegal, to Woods Hole, Massachusetts (April 14-May 11, 1984), crossing the area of 14°-48°N; 17°-70°W, we collected atmospheric aerosols (C, N, S species), gases (SO4, HNO3, dimethyl sulfide (DMS), synthetic organic chemicals), and precipitation (major inorganic/organic ions, trace metals). Air masses that had not contacted land for over 5 days had a composition close to that from the remote marine atmosphere. Oxidation of biogenic DMS to SO4= aerosol accounted for most nss-SO4= in these air masses. Air masses that had transected densely populated North America (in the westerlies) or the Mediterranean/North Africa ( in the easterlies) within 2-5 days of being sampled over the North Atlantic were enriched in acid precursor compounds and synthetic hydrocarbons relative to air that had spent longer over the North Atlantic. Strong acids and trace metals were also elevated in precipitation. Air masses that had transected regions of strong emissions within the preceding 2 days had concentrations of atmospheric pollutants approaching those typically found in continental air masses. More frequent storm tracks between the Icelandic low and the Bermuda high favored transport of North American emissions northeasterly, toward Europe. Trajectory analyses suggested that air masses sampled off the northwest African coast had passed over the Mediterranean. Composition of the aerosol and precipitation of these air masses was also indicative of continental emissions, including biomass and petroleum burning. Transport and deposition of continental emissions to the North Atlantic were significantly influencing surface atmospheric and oceanic chemistry of this region.

HMI Department of Radiation Chemistry: Results of scientific activities in 1984

International Nuclear Information System (INIS)

1985-01-01

In the radiation chemistry department of the Hahn-Meitner-Institute in Berlin, 4 subjects are treated largely the progress of which made in 1984 is herein reported: 1) Interface processes and energy conversion (reaction pathways of photoinduced charge carriers and their in energy conversion mechanisms); 2) Pulse radiolysis (generation and investigation of shortlived chemically quick-reacting particles); 3) Kinematics (reciprocal action with ion, atom and molecule collisions; clarification of the dynamics of chemical reactions; 4) Insulators and plastics/physical and chemical primary processes when these materials are subjected to high-energy radiation, light or UV light). A list of publications and lectures is added to complement the description of results gained from R and D work. (BR) [de

Tellurium chemistry, tellurium release and deposition during the TMI-2 accident

International Nuclear Information System (INIS)

Vinjamuri, K.; Sallach, R.A.; Osetek, D.J.; Hobbins, R.R.; Akers, D.W.

1985-01-01

This paper presents the chemistry and estimated behavior of tellurium during and after the accident at Three Mile Island Unit-2. The discussion of tellurium behavior is based on all available measurement data for /sup 129m/Te, 132 Te, stable tellurium ( 126 Te, 128 Te, and 130 Te), and best estimate calculations of tellurium release and transport. Results from Oak Ridge National Laboratory (ORNL) tests, Power Burst Facility (PBF) Severe Fuel Damage Tests at Idaho National Engineering Laboratory (INEL) and SASCHA tests from Karlsruhe, W. Germany are compared with calculated release fractions and samples taken from TMI Unit-2. It is concluded that very little tellurium was released and transported from the TMI-2 core, probably as a result of holdup by zircaloy cladding and other structural materials. 37 refs., 12 figs., 4 tabs

Tellurium chemistry, tellurium release and deposition during the TMI-2 accident

International Nuclear Information System (INIS)

Vinjamuri, K.; Sallach, R.A.; Osetek, D.J.; Hobbins, R.R.; Akers, D.W.

1985-08-01

This report presents the chemistry and estimated behavior of tellurium during and after the accident at Three Mile Island Unit-2. The discussion of tellurium behavior is based on all available measurement data for /sup 129 m/Te, 132 Te, stable tellurium ( 126 Te, 128 Te, and 130 Te), and best estimate calculations of tellurium release and transport. Results from Oak Ridge National Laboratory (ORNL) tests, Power Burst Facility (PBF) Severe Fuel Damage Tests at Idaho National Engineering Laboratory (INEL) and SASCHA tests from Karlsruhe, W. Germany are compared with calculated release fractions and samples taken from TMI Unit-2. It is concluded that very little tellurium was released and transported from the TMI-2 core, probably as a result of holdup by zircaloy cladding and other structural materials. 39 refs., 24 figs., 17 tabs

Numerical modelling of the atmospheric transport, chemical tranformations and deposition of mercury

Energy Technology Data Exchange (ETDEWEB)

Petersen, G; Schneider, B; Eppel, D [GKSS-Forschungszentrum Geesthacht GmbH, Geesthacht-Tesperhude (Germany, F.R.). Inst. fuer Physik; Grassl, H [Hamburg Univ. (Germany, F.R.). Meteorologisches Inst. Max-Planck-Institut fuer Meteorologie, Hamburg (Germany, F.R.); Iverfeldt, A [Swedish Environmental Research Inst., Goeteborg (Sweden); Misra, P K; Bloxam, R; Wong, S [Ontario Ministry of the

1990-01-01

Based on recent progress in the understanding of mercury chemistry and biogeochemistry and on the availability of mercury emission data bases this study makes an attempt to model the atmospheric transport of mercury, its chemical transformations in the atmosphere, and the fluxes of mercury to and from the earth's surface by means of an EMEP-type Lagrangian trajectory model for Europe and an Eulerian grid model (ADOM) for North America. Preliminary results with a simplified mercury chemistry scheme in the comprehensive Eulerian model and with a linear chemistry in the Lagrangian model show reasonable agreement with observed mercury concentrations in air and precipitation. (orig.) With 3 figs., 4 tabs.

Corrosion-product transport, oxidation state and remedial measures

International Nuclear Information System (INIS)

Sawicki, J.A.; Brett, M.E.; Tapping, R.L.

1998-01-01

The issues associated with monitoring and controlling corrosion-product transport (CPT) in the balance-of-plant (BOP) and steam generators (SG) of CANDU stations are briefly reviewed. The efforts are focused on minimizing corrosion of carbon steel, which is used extensively in the CANDU primary and secondary systems. Emphasis is placed on the corrosion-product oxidation state as a monitor of water chemistry effectiveness, and as a monitor of system corrosion effects. The discussion is based mostly on the results and observations from Ontario Hydro plants, and their comparisons with PWRs. The effects of low oxygen and elevated hydrazine chemistry are reviewed, as well as the effects of lay-up and various start-up conditions. Progress in monitoring electrochemical potential (ECP) at Ontario Hydro plants and its relationship to the oxidation state of corrosion products is reviewed. Observations on corrosion-product transport on the primary side of steam generators are also discussed. (author)

HMI scientific report - chemistry 1987

International Nuclear Information System (INIS)

1989-01-01

Results of the R and D activities of the Radiation Chemistry Department, Hahn-Meitner-Institut, are reported, primarily dealing with the following subjects: Interface processes and energy conversion, high-energy photochemistry and radiation chemistry as well as trace elements chemistry. A list of publications and lectures is added and gives a view on results obtained in research and development. (EF) [de

Proceedings of the water chemistry and materials performance conference

International Nuclear Information System (INIS)

Barber, D.

1986-01-01

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

Proceedings of the water chemistry and materials performance conference

Energy Technology Data Exchange (ETDEWEB)

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

1987-12-31

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

(dust, PM10 , and BC) using CHIMERE chemistry tra

Indian Academy of Sciences (India)

The objective of this study is to evaluate the ability of a European chemistry transport model,. 'CHIMERE' driven by ..... tive days in May 2008 (12–16 May) to simulate the dust storm ...... Regional Office for Europe, Copenhagen. Zender C, Bian ...

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.)

UV-VIS Spectroscopy Applied to Stratospheric Chemistry, Methods and Results

Energy Technology Data Exchange (ETDEWEB)

Karlsen, K.

1996-03-01

This paper was read at the workshop ``The Norwegian Climate and Ozone Research Programme`` held on 11-12 March 1996. Numerous observations and modeling have shown with a very high degree of certainty that the man-made emissions of chlorofluorocarbons (CFC) and halons are responsible for the Antarctica ozone hole. It is also evident that the ozone layer of the Northern Hemisphere has suffered a certain decline over the last 10-15 years, possibly because of CFC and halons. 20-30% of the observed reduction is ascribed to coupled chlorine and bromine chemistry via a catalytic cycle resulting in the net conversion of 2O{sub 3} to 3O{sub 2}. But the details are not fully understood. The author plans to assemble a UV-VIS spectrometer for measuring the species OClO and BrO and to compare and discuss measured diurnal variations of OClO and BrO with model calculations. The use of Differential Optical Absorption Spectroscopy (DOAS) is discussed and some results from late 1995 presented. 6 refs., 2 figs.

Transport of radioactive wastes to the planned final waste repository Konrad: Radiation exposure resulting from normal transport and radiological risks from transport accidents

International Nuclear Information System (INIS)

Lange, F.; Fett, H.J.; Gruendler, D.; Schwarz, G.

1993-01-01

Radiation exposures of members of critical groups of the general population and of transport personnel resulting from normal transport of radioactive wastes to the planned final waste repository Konrad have been evaluated in detail. By applying probabilistic safety assessment techniques radiological risks from transport accidents have been analysed by quantifying potential radiation exposures and contaminations of the biosphere in connection with their expected frequencies of occurrence. The Konrad transport study concentrates on the local region of the waste repository, where all transports converge. (orig.) [de

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

Science.gov (United States)

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

2014-01-01

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

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

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

Microfluidics and nanofluidics handbook chemistry, physics, and life science principles

CERN Document Server

Mitra, Sushanta K

2011-01-01

The Microfluidics and Nanofluidics Handbook: Two-Volume Set comprehensively captures the cross-disciplinary breadth of the fields of micro- and nanofluidics, which encompass the biological sciences, chemistry, physics and engineering applications. To fill the knowledge gap between engineering and the basic sciences, the editors pulled together key individuals, well known in their respective areas, to author chapters that help graduate students, scientists, and practicing engineers understand the overall area of microfluidics and nanofluidics. Topics covered include Cell Lysis Techniques in Lab-on-a-Chip Technology Electrodics in Electrochemical Energy Conversion Systems: Microstructure and Pore-Scale Transport Microscale Gas Flow Dynamics and Molecular Models for Gas Flow and Heat Transfer Microscopic Hemorheology and Hemodynamics Covering physics and transport phenomena along with life sciences and related applications, Volume One: Chemistry, Physics, and Life Science Principles provides readers with the fun...

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

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.

Chemistry for Whom? Gender Awareness in Teaching and Learning Chemistry

Science.gov (United States)

Andersson, Kristina

2017-01-01

Marie Ståhl and Anita Hussénius have defined what discourses dominate national tests in chemistry for Grade 9 in Sweden by using feminist, critical didactic perspectives. This response seeks to expand the results in Ståhl and Hussénius's article "Chemistry inside an epistemological community box!--Discursive exclusions and inclusions in the…

Analysis of Indicators of Corporate Responsibility in Road Freight Transport: Results of Transport Companies and FMCG Retailers in Serbia

Directory of Open Access Journals (Sweden)

Dragan Đuranović

2016-12-01

Full Text Available The aim of this paper is the analysis of indicators of corporate responsibility in road freight transport, with special emphasis on freight transport and delivery to Fast Moving Consumers Goods (FMCG retailers and final consumer. The main task is to rank the importance of corporate responsibility indicators in freight transport from the perspective of the management of transport companies, as well as management of retail stores. In this context, empirical research was conducted on a sample of 124 managers of transport enterprises and 181 managers of FMCG retailers in Serbia. The results showed that the impact of indicators does not depend on the region, transport company and retail store. The indicators show a statistically significant dependence on FMCG type that is being transported. The conducted analysis and achieved results are important in practice as they show to the management of transport companies which indicators should be developed, so that customers (retailers, and thus the users of final products are satisfied. Disadvantages of the existing research and suggestions for future studies are provided in the paper.

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

Unified computational model of transport in metal-insulating oxide-metal systems

Science.gov (United States)

Tierney, B. D.; Hjalmarson, H. P.; Jacobs-Gedrim, R. B.; Agarwal, Sapan; James, C. D.; Marinella, M. J.

2018-04-01

A unified physics-based model of electron transport in metal-insulator-metal (MIM) systems is presented. In this model, transport through metal-oxide interfaces occurs by electron tunneling between the metal electrodes and oxide defect states. Transport in the oxide bulk is dominated by hopping, modeled as a series of tunneling events that alter the electron occupancy of defect states. Electron transport in the oxide conduction band is treated by the drift-diffusion formalism and defect chemistry reactions link all the various transport mechanisms. It is shown that the current-limiting effect of the interface band offsets is a function of the defect vacancy concentration. These results provide insight into the underlying physical mechanisms of leakage currents in oxide-based capacitors and steady-state electron transport in resistive random access memory (ReRAM) MIM devices. Finally, an explanation of ReRAM bipolar switching behavior based on these results is proposed.

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)

Final results of the FY'78 chemistry and materials science research program review

International Nuclear Information System (INIS)

Frazer, J.W.

1977-01-01

18 projects which were selected to be sponsored by ''Chemistry Research Program'' are summarized. These include: lasers for chemical analysis; multi-element analysis systems; spectroscopic analysis of surface passivation; non-aqueous titrimetry; materials damage prediction for fiber composites; safe high energy explosives; single photon absorption reaction chemistry; reaction in shock waves; cryogenic heavy hydrogen technology; acoustic emission; metallic alloy glasses; basic study of toughness in steel; static equation-of-state at 100 GPa; transuranium element research; nuclear structure research; neutron capture gamma measurements; x-ray fluorescence analysis; and pyrochemical investigation

ETA chemistry experience and assessment on CPP in Korea

International Nuclear Information System (INIS)

Park, K.K.; Lee, J.B.; Yoon, S.W.

2002-01-01

To reduce FAC of carbon steel in secondary system, water treatment chemistry was converted to ETA at Kori unit 1. Full scale tests to choose the optimum concentration of ETA were conducted and the evaluation after one cycle operation with ETA was also performed. Optimum concentration of ETA in final feed water was determined as 1.8 ppm. At this condition, iron concentration was reduced by 69.8% in final feed water and 69.7% in heater drain compared to ammonia-AVT. The amount of sludge removed from each steam generator was 11.3 kg, which was 88.2% lower than that of ammonia-AVT. With successful results of Kori unit 1, Applications of ETA were extended to other PWRs. Iron transport was found to be reduced significantly. Also, the output of electric power increased by 9 MWe at Young-Kwang unit 1. However, fouling of ion exchange resin in CPP was appeared. ETA appears to have a solvent function in the initial stage of ETA chemistry. Resin was restored when the fouling was removed with hot water and sodium bicarbonates. In particular, the MR type anion resin may be effective in resistance to fouling when ETA-chemistry is used. (authors)

Challenges of restarting Bruce Units 3 and 4 from a chemistry and materials perspective

International Nuclear Information System (INIS)

Roberts, J.G.; Langguth, K.

2005-01-01

In 2001, Bruce Power leased the Bruce Units 1-8 reactors from Ontario Power Generation. Bruce Power decided to restart Bruce Units 3 and 4 following a condition assessment of Bruce A Units 3 and 4. This paper describes the challenges that were encountered and how they were overcome, specifically for heat transport system chemistry in order to adequately protect carbon steel surfaces. The heat transport system, by design, has close inter-relations with other station systems and the related issues of some of these systems are also discussed. Considerations of material impacts have significant influences on the approach to, and control of, chemistry. Specific material impacts led to a novel, and successful, approach. This approach was arrived at following significant efforts by a multi-disciplinary team of operations, maintenance and chemistry staff. The issues, approaches considered and solutions used for a successful outcome will be presented. (author)

Challenges of restarting Bruce Units 3 and 4 from a chemistry and materials perspective

Energy Technology Data Exchange (ETDEWEB)

Roberts, J.G.; Langguth, K. [Bruce Power, Tiverton, Ontario (Canada)

2005-07-01

In 2001, Bruce Power leased the Bruce Units 1-8 reactors from Ontario Power Generation. Bruce Power decided to restart Bruce Units 3 and 4 following a condition assessment of Bruce A Units 3 and 4. This paper describes the challenges that were encountered and how they were overcome, specifically for heat transport system chemistry in order to adequately protect carbon steel surfaces. The heat transport system, by design, has close inter-relations with other station systems and the related issues of some of these systems are also discussed. Considerations of material impacts have significant influences on the approach to, and control of, chemistry. Specific material impacts led to a novel, and successful, approach. This approach was arrived at following significant efforts by a multi-disciplinary team of operations, maintenance and chemistry staff. The issues, approaches considered and solutions used for a successful outcome will be presented. (author)

Numerical simulation of ion transport membrane reactors: Oxygen permeation and transport and fuel conversion

KAUST Repository

Hong, Jongsup

2012-07-01

Ion transport membrane (ITM) based reactors have been suggested as a novel technology for several applications including fuel reforming and oxy-fuel combustion, which integrates air separation and fuel conversion while reducing complexity and the associated energy penalty. To utilize this technology more effectively, it is necessary to develop a better understanding of the fundamental processes of oxygen transport and fuel conversion in the immediate vicinity of the membrane. In this paper, a numerical model that spatially resolves the gas flow, transport and reactions is presented. The model incorporates detailed gas phase chemistry and transport. The model is used to express the oxygen permeation flux in terms of the oxygen concentrations at the membrane surface given data on the bulk concentration, which is necessary for cases when mass transfer limitations on the permeate side are important and for reactive flow modeling. The simulation results show the dependence of oxygen transport and fuel conversion on the geometry and flow parameters including the membrane temperature, feed and sweep gas flow, oxygen concentration in the feed and fuel concentration in the sweep gas. © 2012 Elsevier B.V.

Parameterization of dust emissions in the global atmospheric chemistry-climate model EMAC: impact of nudging and soil properties

OpenAIRE

Astitha, M.; Lelieveld, J.; Kader, M. Abdel; Pozzer, A.; de Meij, A.

2012-01-01

Airborne desert dust influences radiative transfer, atmospheric chemistry and dynamics, as well as nutrient transport and deposition. It directly and indirectly affects climate on regional and global scales. Two versions of a parameterization scheme to compute desert dust emissions are incorporated into the atmospheric chemistry general circulation model EMAC (ECHAM5/MESSy2.41 Atmospheric Chemistry). One uses a global...

Technetium Chemistry in HLW

International Nuclear Information System (INIS)

Hess, Nancy J.; Felmy, Andrew R.; Rosso, Kevin M.; Xia Yuanxian

2005-01-01

Tc contamination is found within the DOE complex at those sites whose mission involved extraction of plutonium from irradiated uranium fuel or isotopic enrichment of uranium. At the Hanford Site, chemical separations and extraction processes generated large amounts of high level and transuranic wastes that are currently stored in underground tanks. The waste from these extraction processes is currently stored in underground High Level Waste (HLW) tanks. However, the chemistry of the HLW in any given tank is greatly complicated by repeated efforts to reduce volume and recover isotopes. These processes ultimately resulted in mixing of waste streams from different processes. As a result, the chemistry and the fate of Tc in HLW tanks are not well understood. This lack of understanding has been made evident in the failed efforts to leach Tc from sludge and to remove Tc from supernatants prior to immobilization. Although recent interest in Tc chemistry has shifted from pretreatment chemistry to waste residuals, both needs are served by a fundamental understanding of Tc chemistry

SPECIAL ISSUE DEDICATED TO THE 10TH ANNIVERSARY OF THE CHEMISTRY JOURNAL OF MOLDOVA. GENERAL, INDUSTRIAL AND ECOLOGICAL CHEMISTRY

OpenAIRE

Gheorghe DUCA

2016-01-01

Ten years ago, in 2006, CHEMISTRY JOURNAL OF MOLDOVA. General, Industrial and Ecological Chemistry was founded by the Institute of Chemistry of Academy of Sciences of Moldova and Moldova State University. Chemistry Journal of Moldova is an open access, international indexed and peer-reviewed journal that publishes papers of high quality containing original results in the areas of Chemical Sciences, such as analytical chemistry, ecological chemistry, food chemistry, industrial chem...

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.

Tropospheric Bromine Chemistry: Implications for Present and Pre-industrial Ozone and Mercury

Science.gov (United States)

Parella, J. P.; Jacob, D. J.; Liang, Q.; Zhang, Y.; Mickley, L. J.; Miller, B.; Evans, M. J.; Yang, X.; Pyle, J. A.; Theys, N.;

Benchmarking NNWSI flow and transport codes: COVE 1 results

International Nuclear Information System (INIS)

Hayden, N.K.

1985-06-01

The code verification (COVE) activity of the Nevada Nuclear Waste Storage Investigations (NNWSI) Project is the first step in certification of flow and transport codes used for NNWSI performance assessments of a geologic repository for disposing of high-level radioactive wastes. The goals of the COVE activity are (1) to demonstrate and compare the numerical accuracy and sensitivity of certain codes, (2) to identify and resolve problems in running typical NNWSI performance assessment calculations, and (3) to evaluate computer requirements for running the codes. This report describes the work done for COVE 1, the first step in benchmarking some of the codes. Isothermal calculations for the COVE 1 benchmarking have been completed using the hydrologic flow codes SAGUARO, TRUST, and GWVIP; the radionuclide transport codes FEMTRAN and TRUMP; and the coupled flow and transport code TRACR3D. This report presents the results of three cases of the benchmarking problem solved for COVE 1, a comparison of the results, questions raised regarding sensitivities to modeling techniques, and conclusions drawn regarding the status and numerical sensitivities of the codes. 30 refs

Molecular Tools for Facilitative Carbohydrate Transporters (Gluts).

Science.gov (United States)

Tanasova, Marina; Fedie, Joseph R

2017-09-19

Facilitative carbohydrate transporters-Gluts-have received wide attention over decades due to their essential role in nutrient uptake and links with various metabolic disorders, including diabetes, obesity, and cancer. Endeavors directed towards understanding the mechanisms of Glut-mediated nutrient uptake have resulted in a multidisciplinary research field spanning protein chemistry, chemical biology, organic synthesis, crystallography, and biomolecular modeling. Gluts became attractive targets for cancer research and medicinal chemistry, leading to the development of new approaches to cancer diagnostics and providing avenues for cancer-targeting therapeutics. In this review, the current state of knowledge of the molecular interactions behind Glut-mediated sugar uptake, Glut-targeting probes, therapeutics, and inhibitors are discussed. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Nonlinear transport of accelerator beam phase space

International Nuclear Information System (INIS)

Xie Xi; Xia Jiawen

1995-01-01

Based on the any order analytical solution of accelerator beam dynamics, the general theory for nonlinear transport of accelerator beam phase space is developed by inverse transformation method. The method is general by itself, and hence can also be applied to the nonlinear transport of various dynamic systems in physics, chemistry and biology

PWR secondary water chemistry study

International Nuclear Information System (INIS)

Pearl, W.L.; Sawochka, S.G.; Copley, S.E.; Siegwarth, D.P.

1981-01-01

Secondary water chemistry studies have been performed at ten operating PWRs for the past several years. The program includes seven PWRs with recirculating U-tube steam generators, and three once-through steam generator (OTSG) PWRs. Program results indicate that during periods of minimal condenser inleakage, condensate polishers do not remove significant quantities of sodium, chloride and sulfate. At higher inlet impurity levels, demineralizer removal efficiencies improve markedly. Corrosion product removal efficiencies generally are 60 to 95% depending on system design and operating practices. Significant quantities of sodium and chloride 'hide out' in steam generators with a portion returning during transients, particularly during plant shutdowns. In OTSG PWRs, a significant portion of the total sodium and chloride transported via the steam is removed with the moisture separator drains (MSD) and returned to the OTSG when MSDs are pumped forward. Partial return of MSDs to the condenser would result in reduced feedwater and steam impurity levels. (author)

Control of water chemistry in operating reactors

International Nuclear Information System (INIS)

Riess, R.

1997-01-01

Water chemistry plays a major role in fuel cladding corrosion and hydriding. Although a full understanding of all mechanisms involved in cladding corrosion does not exist, controlling the water chemistry has achieved quite some progress in recent years. As an example, in PWRs the activity transport is controlled by operating the coolant under higher pH-values (i.e. the ''modified'' B/Li-Chemistry). On the other hand, the lithium concentration is limited to a maximum value of 2 ppm in order to avoid an acceleration of the fuel cladding corrosion. In BWR plants, for example, the industry has learned on how to limit the copper concentration in the feedwater in order to limit CILC (Copper Induced Localized Corrosion) on the fuel cladding. However, economic pressures are leading to more rigorous operating conditions in power reactors. Fuel burnups are to be increased, higher efficiencies are to be achieved, by running at higher temperatures, plant lifetimes are to be extended. In summary, this paper will describe the state of the art in controlling water chemistry in operating reactors and it will give an outlook on potential problems that will arise when going to more severe operating conditions. (author). 3 figs, 6 tabs

Control of water chemistry in operating reactors

Energy Technology Data Exchange (ETDEWEB)

Riess, R [Siemens AG Unternehmensbereich KWU, Erlangen (Germany)

1997-02-01

Water chemistry plays a major role in fuel cladding corrosion and hydriding. Although a full understanding of all mechanisms involved in cladding corrosion does not exist, controlling the water chemistry has achieved quite some progress in recent years. As an example, in PWRs the activity transport is controlled by operating the coolant under higher pH-values (i.e. the ``modified`` B/Li-Chemistry). On the other hand, the lithium concentration is limited to a maximum value of 2 ppm in order to avoid an acceleration of the fuel cladding corrosion. In BWR plants, for example, the industry has learned on how to limit the copper concentration in the feedwater in order to limit CILC (Copper Induced Localized Corrosion) on the fuel cladding. However, economic pressures are leading to more rigorous operating conditions in power reactors. Fuel burnups are to be increased, higher efficiencies are to be achieved, by running at higher temperatures, plant lifetimes are to be extended. In summary, this paper will describe the state of the art in controlling water chemistry in operating reactors and it will give an outlook on potential problems that will arise when going to more severe operating conditions. (author). 3 figs, 6 tabs.

Evaluating the efficacy of a chemistry video game

Science.gov (United States)

Shapiro, Marina

A quasi-experimental design pre-test/post-test intervention study utilizing a within group analysis was conducted with 45 undergraduate college chemistry students that investigated the effect of implementing a game-based learning environment into an undergraduate college chemistry course in order to learn if serious educational games (SEGs) can be used to achieve knowledge gains of complex chemistry concepts and to achieve increase in students' positive attitude toward chemistry. To evaluate if students learn chemistry concepts by participating in a chemistry game-based learning environment, a one-way repeated measures analysis of variance (ANOVA) was conducted across three time points (pre-test, post-test, delayed post-test which were chemistry content exams). Results showed that there was an increase in exam scores over time. The results of the ANOVA indicated a statistically significant time effect. To evaluate if students' attitude towards chemistry increased as a result of participating in a chemistry game-based learning environment a paired samples t-test was conducted using a chemistry attitudinal survey by Mahdi (2014) as the pre- and post-test. Results of the paired-samples t-test indicated that there was no significant difference in pre-attitudinal scores and post-attitudinal scores.

Magnetic resonance imaging of chemistry.

Science.gov (United States)

Britton, Melanie M

2010-11-01

Magnetic resonance imaging (MRI) has long been recognized as one of the most important tools in medical diagnosis and research. However, MRI is also well placed to image chemical reactions and processes, determine the concentration of chemical species, and look at how chemistry couples with environmental factors, such as flow and heterogeneous media. This tutorial review will explain how magnetic resonance imaging works, reviewing its application in chemistry and its ability to directly visualise chemical processes. It will give information on what resolution and contrast are possible, and what chemical and physical parameters can be measured. It will provide examples of the use of MRI to study chemical systems, its application in chemical engineering and the identification of contrast agents for non-clinical applications. A number of studies are presented including investigation of chemical conversion and selectivity in fixed-bed reactors, temperature probes for catalyst pellets, ion mobility during tablet dissolution, solvent dynamics and ion transport in Nafion polymers and the formation of chemical waves and patterns.

Analytical chemistry

International Nuclear Information System (INIS)

Choi, Jae Seong

1993-02-01

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

Analytical chemistry

Energy Technology Data Exchange (ETDEWEB)

Choi, Jae Seong

1993-02-15

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

Defect chemistry and oxygen transport of (La0.6Sr0.4 − xMx)0.99Co0.2Fe0.8O3 − δ, M = Ca (x = 0.05, 0.1), Ba (x = 0.1, 0.2), Sr: Part II: Oxygen transport

DEFF Research Database (Denmark)

Dalslet, Bjarke Thomas; Søgaard, Martin; Hendriksen, Peter Vang

2009-01-01

This paper is the second part of a two part series, where the effects of varying the A-site dopant on the defect chemistry and transport properties of the materials (La0.6Sr0.4 − xMx)0.99Co0.2Fe0.8O3 − δ, M = Sr, Ca (x = 0.05, 0.1), Ba (x = 0.1, 0.2) (LSMFC) have been investigated. In part I......, the findings on the defect chemistry were reported, while the oxygen transport properties are reported here in part II. In the investigated material series, the amount of divalent dopant has been kept constant, while Sr ions have been substituted with Ca ions (smaller ionic radius) or Ba ions (larger ionic...... electrolyte probe were used to extract the permeability and surface resistance, rs. The highest permeability was found for (La0.6Sr0.3Ca0.1)0.99Co0.2Fe0.8O3 − δ. The apparent activation energy of the permeability was 78 kJ/mol. The inverse surface resistance, rs− 1, also had an activated behavior...

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

DISEQUILIBRIUM CARBON, OXYGEN, AND NITROGEN CHEMISTRY IN THE ATMOSPHERES OF HD 189733b AND HD 209458b

International Nuclear Information System (INIS)

Moses, Julianne I.; Visscher, C.; Fortney, J. J.; Showman, A. P.; Lewis, N. K.; Griffith, C. A.; Klippenstein, S. J.; Shabram, M.; Friedson, A. J.; Marley, M. S.; Freedman, R. S.

2011-01-01

We have developed a one-dimensional photochemical and thermochemical kinetics and diffusion model to study the effects of disequilibrium chemistry on the atmospheric composition of 'hot-Jupiter' exoplanets. Here we investigate the coupled chemistry of neutral carbon, hydrogen, oxygen, and nitrogen species on HD 189733b and HD 209458b and we compare the model results with existing transit and eclipse observations. We find that the vertical profiles of molecular constituents are significantly affected by transport-induced quenching and photochemistry, particularly on the cooler HD 189733b; however, the warmer stratospheric temperatures on HD 209458b help maintain thermochemical equilibrium and reduce the effects of disequilibrium chemistry. For both planets, the methane and ammonia mole fractions are found to be enhanced over their equilibrium values at pressures of a few bar to less than an mbar due to transport-induced quenching, but CH 4 and NH 3 are photochemically removed at higher altitudes. Disequilibrium chemistry also enhances atomic species, unsaturated hydrocarbons (particularly C 2 H 2 ), some nitriles (particularly HCN), and radicals like OH, CH 3 , and NH 2 . In contrast, CO, H 2 O, N 2 , and CO 2 more closely follow their equilibrium profiles, except at pressures ∼ 2 O, and N 2 are photochemically destroyed and CO 2 is produced before its eventual high-altitude destruction. The enhanced abundances of CH 4 , NH 3 , and HCN are expected to affect the spectral signatures and thermal profiles of HD 189733b and other relatively cool, transiting exoplanets. We examine the sensitivity of our results to the assumed temperature structure and eddy diffusion coefficients and discuss further observational consequences of these models.

A new version of the CNRM Chemistry-Climate Model, CNRM-CCM: description and improvements from the CCMVal-2 simulations

Directory of Open Access Journals (Sweden)

M. Michou

2011-10-01

Full Text Available This paper presents a new version of the Météo-France CNRM Chemistry-Climate Model, so-called CNRM-CCM. It includes some fundamental changes from the previous version (CNRM-ACM which was extensively evaluated in the context of the CCMVal-2 validation activity. The most notable changes concern the radiative code of the GCM, and the inclusion of the detailed stratospheric chemistry of our Chemistry-Transport model MOCAGE on-line within the GCM. A 47-yr transient simulation (1960–2006 is the basis of our analysis. CNRM-CCM generates satisfactory dynamical and chemical fields in the stratosphere. Several shortcomings of CNRM-ACM simulations for CCMVal-2 that resulted from an erroneous representation of the impact of volcanic aerosols as well as from transport deficiencies have been eliminated.

Remaining problems concern the upper stratosphere (5 to 1 hPa where temperatures are too high, and where there are biases in the NO₂, N₂O₅ and O₃ mixing ratios. In contrast, temperatures at the tropical tropopause are too cold. These issues are addressed through the implementation of a more accurate radiation scheme at short wavelengths. Despite these problems we show that this new CNRM CCM is a useful tool to study chemistry-climate applications.

Discussion on the Development of Green Chemistry and Chemical Engineering

Science.gov (United States)

Zhang, Yunshen

2017-11-01

Chemical industry plays a vital role in the development process of national economy. However, in view of the special nature of the chemical industry, a large number of poisonous and harmful substances pose a great threat to the ecological environment and human health in the entire process of raw material acquisition, production, transportation, product manufacturing, and the final practical application. Therefore, it is a general trend to promote the development of chemistry and chemical engineering towards a greener environment. This article will focus on some basic problems occurred in the development process of green chemistry and chemical engineering.

Quantifying pollution transport from the Asian monsoon anticyclone into the lower stratosphere

Directory of Open Access Journals (Sweden)

F. Ploeger

2017-06-01

Full Text Available Pollution transport from the surface to the stratosphere within the Asian monsoon circulation may cause harmful effects on stratospheric chemistry and climate. Here, we investigate air mass transport from the monsoon anticyclone into the stratosphere using a Lagrangian chemistry transport model. We show how two main transport pathways from the anticyclone emerge: (i into the tropical stratosphere (tropical pipe, and (ii into the Northern Hemisphere (NH extratropical lower stratosphere. Maximum anticyclone air mass fractions reach around 5 % in the tropical pipe and 15 % in the extratropical lowermost stratosphere over the course of a year. The anticyclone air mass fraction correlates well with satellite hydrogen cyanide (HCN and carbon monoxide (CO observations, confirming that pollution is transported deep into the tropical stratosphere from the Asian monsoon anticyclone. Cross-tropopause transport occurs in a vertical chimney, but with the pollutants transported quasi-horizontally along isentropes above the tropopause into the tropics and NH.

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.

Future in actinoids coordination chemistry

International Nuclear Information System (INIS)

Kitazawa, Takafumi

2006-01-01

Actinoids coordination chemistry is concerned with spent nuclear fuel reprocessing, specifically with solid-state chemistry of nuclear fuels, separation process with radioactive substances, and geological disposal of high-level radioactive substances. In the 21st century, accumulation of minor actinides, Np, Am, Cm, and others will be realized according with the present program of nuclear energy development. The present article briefly introduces general properties of actinide elements, followed by their coordination chemistry compared with rare earths coordination chemistry. Special facility needed to treat actinoids as well as their chemistry is briefly explained, together with the specific experimental apparatus such as X-ray Absorption Fine Structure (XAFS) and time-resolved laser-induced fluorescence spectrometry (TRLFS) with synchrotron radiation facilities. The effect of coordination with actinoids in the environment chemistry is important in underground disposal of high-level radioactive wastes. For theoretical analysis of the results with actinoids chemistry, relativistic calculation is needed. (S. Ohno)

Effect of Chemistry Triangle Oriented Learning Media on Cooperative, Individual and Conventional Method on Chemistry Learning Result

Science.gov (United States)

Latisma D, L.; Kurniawan, W.; Seprima, S.; Nirbayani, E. S.; Ellizar, E.; Hardeli, H.

2018-04-01

The purpose of this study was to see which method are well used with the Chemistry Triangle-oriented learning media. This quasi experimental research involves first grade of senior high school students in six schools namely each two SMA N in Solok city, in Pasaman and two SMKN in Pariaman. The sampling technique was done by Cluster Random Sampling. Data were collected by test and analyzed by one-way anova and Kruskall Wallish test. The results showed that the high school students in Solok learning taught by cooperative method is better than the results of student learning taught by conventional and Individual methods, both for students who have high initial ability and low-ability. Research in SMK showed that the overall student learning outcomes taught by conventional method is better than the student learning outcomes taught by cooperative and individual methods. Student learning outcomes that have high initial ability taught by individual method is better than student learning outcomes that are taught by cooperative method and for students who have low initial ability, there is no difference in student learning outcomes taught by cooperative, individual and conventional methods. Learning in high school in Pasaman showed no significant difference in learning outcomes of the three methods undertaken.

Evaluation of the radiological risk resulting from road transportation of tritiated water

International Nuclear Information System (INIS)

Menossi, C.A.; Segado, R.; Reyes, R.

1983-01-01

A probability model for the evaluation of the individual radiological risk resulting from road transportation of tritiated water in 200-liter drums is presented. In order to evaluate such risk, an evaluation must be made of the probability for an individual to be involved in the consequences of a radiological transport accident, to incur a given dose and to suffer deleterious effects resulting from the dose incurred. With the purpose of quantifying the importance of accidents, a severity level classification was adopted as a function of the fraction of liquid volume spilled as a result of the accident. Considering the above-mentioned severity classification and the transported volume, the volume and the spill area are implied, while the soil characteristics are taken into account. By evaluating the spill characteristics, the average meteorological conditions in the area under analysis and the activity concentration of the transported liquid, the activity concentration values for tritium in air may be estimated, thus allowing calculation of the effective dose equivalent to be incurred by the individual who is most exposed to the consequences of an associated event. As a result of the summarized analysis above, a value of the individual risk per unit of activity concentration is obtained for tritium and for a given volume of transported liquid. 8 references

Design to nullify activity movement in heat transport systems

International Nuclear Information System (INIS)

Hemmings, R.L.; Barber, D.

1975-01-01

This article describes the methods by which designers can reduce the adverse effects of system corrosion and the resultant activation of the corrosion products in heat transport systems. The presentation will cover: a) choice of materials; b) assessment of the need of components; c) control of system chemistry; d) factors considered in sizing HTS purification systems; i) control of activation and fission products; ii) decontamination. (author)

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

Chemistry for protection of the environment, Eight international conference: Proceedings

International Nuclear Information System (INIS)

Lacy, W.J.; Pawlowski, L.; Dlugosz, J.J.

1991-01-01

This report presents research programs from the International Conference on the Chemistry For Protection of the Environment. Topics covered include environmental transport, waste minimization, pollution control and prevention, waste management, soil remediation, and health concerns associated with environmental contamination. Individual projects are processed separately for the data bases

The impact of a future H2-based road transportation sector on the composition and chemistry of the atmosphere - Part 2: Stratospheric ozone

Science.gov (United States)

Wang, D.; Jia, W.; Olsen, S. C.; Wuebbles, D. J.; Dubey, M. K.; Rockett, A. A.

2012-08-01

The prospective future adoption of hydrogen to power the road transportation sector could greatly improve tropospheric air quality but also raises the question whether the adoption would have adverse effects on stratospheric ozone. The possibility of these undesirable impacts must be fully evaluated to guide future policy decisions. Here we evaluate the possible impact of a future (2050) H2-based road transportation sector on stratospheric composition and chemistry, especially on stratospheric ozone, with the MOZART chemical transport model. Since future growth is highly uncertain we evaluate the impact for two world evolution scenarios, one based on a high emitting scenario (IPCC A1FI) and the other on a low emitting scenario (IPCC B1), as well as two technological options: H2 fuel cells and H2 internal combustion engines. We assume a H2 leakage rate of 2.5% and a complete market penetration of H2 vehicles in 2050. The model simulations show that a H2-based road transportation sector would reduce stratospheric ozone concentrations as a result of perturbed catalytic ozone destruction cycles. The magnitude of the impact depends on which growth scenario the world evolves and which H2 technology option is applied. For the same world evolution scenario, stratospheric ozone decreases more in the H2 fuel cell scenarios than in the H2 internal combustion engine scenarios because of the NOx emissions in the latter case. If the same technological option is applied, the impact is larger in the A1FI emission scenario. The largest impact, a 0.54% decrease in annual average global mean stratospheric column ozone, is found with a H2 fuel cell type road transportation sector in the A1FI scenario; whereas the smallest impact, a 0.04% increase in stratospheric ozone, is found with applications of H2 internal combustion engine vehicles in the B1 scenario. The impacts of the other two scenarios fall between the above two bounding scenarios. However, the magnitude of these changes is

Equity in transportation: new approach in transport planning – preliminary results of case study in Cracow

Directory of Open Access Journals (Sweden)

Lidia ZAKOWSKA

2014-09-01

Full Text Available The goal of the paper is to present the concept of equity as a new approach in transport and land-use planning. This concept is consistent with the objectives of sustainable development and it is becoming more common in European and world literature. Understanding the idea of equity in the context of the transport system development is very important in creating sustainable cities and regions without discriminating any social groups and creating a cohesive society not exposed to social exclusion due to lack of access to primary and secondary activities. The paper presents some results of the preliminary analysis on transport equity in Cracow. The basic equity level which has been considered here concerns senior citizens, older people living in Cracow area, in terms of their accessibility to transport infrastructure. Taking into account living conditions of elderly pedestrians, contour measures were used, in order to determine accessibility as equity indicator.

Thermochromatographic investigations of fission product transport and chemistry

International Nuclear Information System (INIS)

Growcock, F.B.; Aronson, S.; Friedlander, M.; Skalyo, J. Jr.; Hosseini, A.; Taylor, R.D.

1978-01-01

A thermochromatographic technique has been developed to investigate the chemical states of fission products from irradiated fuel as well as in fission product simulation studies. Some recent work on iodine transport and on release of fission products from irradiated fuel kernels will be discussed

Indicators and Managing for Results: Filling the Gap in Coach Transport Services

Directory of Open Access Journals (Sweden)

Marcos Thadeu Queiroz Magalhães

2018-02-01

Full Text Available Resumo Este artigo discute a Gestão por Resultados (MFR, no inglês em contratos de serviços de transporte de passageiros. Apresenta o Processo Integrado de Planejamento e como é possível unir, num único quadro, planejamento, monitoramento e avaliação. Após isso, são propostos um conjunto de indicadores de desempenho capazes de cobrir tanto os requisitos de gestão processual quanto finalística. Ao fim, comenta-se sobre os principais limitadores da proposta bem como fatores críticos de sucesso para a Gestão por Resultados voltada para os contratos de serviço de transporte de passageiros. Palavras-Chave: Gestão por Resultados, Transporte de Passageiros, Indicadores, Avaliação, Planejamento Orientado a Resultados. Abstract This paper discusses MFR (Managing for Results in Coach Transport Contract Management. It presents an Integrated Planning Process and shows how it is possible to merge planning, monitoring and assessing activities into one single framework. After that, we propose a set of performance indicators that are able to cope with both procedural and finalistic performance management requirements. Finally, we comment some limitations of the research and present some critical factors for success of MFR in Coach Transport Contract Management. Key-Words: Managing for Results, Coach Transport Services, Indicators, Evaluation, Result-Oriented Planning.

Optimum Water Chemistry in radiation field buildup control

Energy Technology Data Exchange (ETDEWEB)

Lin, Chien, C. [Vallecitos Nuclear Center, Pleasanton, CA (United States)

1995-03-01

Nuclear utilities continue to face the challenGE of reducing exposure of plant maintenance personnel. GE Nuclear Energy has developed the concept of Optimum Water Chemistry (OWC) to reduce the radiation field buildup and minimize the radioactive waste production. It is believed that reduction of radioactive sources and improvement of the water chemistry quality should significantly reduce both the radiation exposure and radwaste production. The most important source of radioactivity is cobalt and replacement of cobalt containing alloy in the core region as well as in the entire primary system is considered the first priority to achieve the goal of low exposure and minimized waste production. A plant specific computerized cobalt transport model has been developed to evaluate various options in a BWR system under specific conditions. Reduction of iron input and maintaining low ionic impurities in the coolant have been identified as two major tasks for operators. Addition of depleted zinc is a proven technique to reduce Co-60 in reactor water and on out-of-core piping surfaces. The effect of HWC on Co-60 transport in the primary system will also be discussed.

HMI scientific report - chemistry 1988

International Nuclear Information System (INIS)

1989-01-01

Results of the R and D activities are reported, dealing with the following subjects: Interface processes and energy conversion, high-energy photochemistry and radiation chemistry as well as trace elements chemistry. A list of publications and lectures is added and gives a view on results obtained in research and development. (EF) [de

Enhanced water transport and salt rejection through hydrophobic zeolite pores

Science.gov (United States)

Humplik, Thomas; Lee, Jongho; O'Hern, Sean; Laoui, Tahar; Karnik, Rohit; Wang, Evelyn N.

2017-12-01

The potential of improvements to reverse osmosis (RO) desalination by incorporating porous nanostructured materials such as zeolites into the selective layer in the membrane has spurred substantial research efforts over the past decade. However, because of the lack of methods to probe transport across these materials, it is still unclear which pore size or internal surface chemistry is optimal for maximizing permeability and salt rejection. We developed a platform to measure the transport of water and salt across a single layer of zeolite crystals, elucidating the effects of internal wettability on water and salt transport through the ≈5.5 Å pores of MFI zeolites. MFI zeolites with a more hydrophobic (i.e., less attractive) internal surface chemistry facilitated an approximately order of magnitude increase in water permeability compared to more hydrophilic MFI zeolites, while simultaneously fully rejecting both potassium and chlorine ions. However, our results also demonstrated approximately two orders of magnitude lower permeability compared to molecular simulations. This decreased performance suggests that additional transport resistances (such as surface barriers, pore collapse or blockages due to contamination) may be limiting the performance of experimental nanostructured membranes. Nevertheless, the inclusion of hydrophobic sub-nanometer pores into the active layer of RO membranes should improve both the water permeability and salt rejection of future RO membranes (Fasano et al 2016 Nat. Commun. 7 12762).

Enhanced water transport and salt rejection through hydrophobic zeolite pores.

Science.gov (United States)

Humplik, Thomas; Lee, Jongho; O'Hern, Sean; Laoui, Tahar; Karnik, Rohit; Wang, Evelyn N

2017-12-15

The potential of improvements to reverse osmosis (RO) desalination by incorporating porous nanostructured materials such as zeolites into the selective layer in the membrane has spurred substantial research efforts over the past decade. However, because of the lack of methods to probe transport across these materials, it is still unclear which pore size or internal surface chemistry is optimal for maximizing permeability and salt rejection. We developed a platform to measure the transport of water and salt across a single layer of zeolite crystals, elucidating the effects of internal wettability on water and salt transport through the ≈5.5 Å pores of MFI zeolites. MFI zeolites with a more hydrophobic (i.e., less attractive) internal surface chemistry facilitated an approximately order of magnitude increase in water permeability compared to more hydrophilic MFI zeolites, while simultaneously fully rejecting both potassium and chlorine ions. However, our results also demonstrated approximately two orders of magnitude lower permeability compared to molecular simulations. This decreased performance suggests that additional transport resistances (such as surface barriers, pore collapse or blockages due to contamination) may be limiting the performance of experimental nanostructured membranes. Nevertheless, the inclusion of hydrophobic sub-nanometer pores into the active layer of RO membranes should improve both the water permeability and salt rejection of future RO membranes (Fasano et al 2016 Nat. Commun. 7 12762).

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...

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

Chemistry at the dirac point of graphene

Science.gov (United States)

Sarkar, Santanu

Graphene holds great potential as an electronic material because of its excellent transport properties, which derive from its unique Fermi surface and ballistic conductance. It exhibits extremely high mobility [~250,000 cm*2/(V*s)]. Despite its extraordinary properties, the absence of a band-gap in graphene makes it unsuitable for its use as an active element in conventional field effect transistors (FETs). Another problem with pristine graphene is its lack of solution processability, which inhibits it applications in numerous fields such as printed electronics, transparent conductors, nano-biodevices, and thin film technologies involving fuel cells, capacitors and solar cells. My thesis is focused on addressing theses issue by application of covalent chemistry on graphene. We have applied the Kolbe electro-oxidation strategy to achieve an efficient quasi-reversible electrochemical grafting of the naphthylmethyl radicals to graphene. The method facilitates reversible bandgap engineering in graphene and preparation of electrochemically erasable organic dielectric films. We have discovered that the zero-band-gap electronic structure of graphene enables it to function as either the diene or the dienophile in the Diels-Alder (DA) reaction, and this versatile synthetic method offers a powerful strategy for the reversible modification of the electronic properties of graphene under very mild conditions. We show that the application of the Diels-Alder (DA) chemistry to graphene, which is capable of simultaneous formation of a pair of sp3-carbon centers (balanced divacancies) in graphene, can selectively produce DA-modified graphene FET devices with mobility between 1,000-6,000 cm2V-1s-1 (with a variable range hopping transport mechanism). Most of the covalent chemistry applied on graphene leads to the change in hybridization of graphene sp2 carbon to sp3 (destructive hybridization) and the FET devices based on such covalently modified graphene shows a drastic reduction of

Unraveling the Reaction Chemistry of Icy Ocean World Surfaces

Science.gov (United States)

Hudson, R.; Loeffler, M. J.; Gerakines, P.

2017-12-01

The diverse endogenic chemistry of ocean worlds can be divided among interior, surface, and above-surface process, with contributions from exogenic agents such as solar, cosmic, and magnetospheric radiation. Bombardment from micrometeorites to comets also can influence chemistry by both delivering new materials and altering pre-existing ones, and providing energy to drive reactions. Geological processes further complicate the chemistry by transporting materials from one environment to another. In this presentation the focus will be on some of the thermally driven and radiation-induced changes expected from icy materials, primarily covalent and ionic compounds. Low-temperature conversions of a few relatively simple molecules into ions possessing distinct infrared (IR) features will be covered, with an emphasis on such features as might be identified through either orbiting spacecraft or landers. The low-temperature degradation of a few bioorganic molecules, such as DNA nucleobases and some common amino acids, will be used as examples of the more complex, and potentially misleading, chemistry expected for icy moons of the outer solar system. This work was supported by NASA's Emerging Worlds and Outer Planets Research programs, as well as the NASA Astrobiology Institute's Goddard Center for Astrobiology.

Present address of cutting-edge chemistry in Korea

International Nuclear Information System (INIS)

2007-01-01

This introduces the research center, company and chemistry department with excellent results. This book lists the name of those, which are organic molecule design laboratory by Sunmun university, intelligence Nano technology research center by Biotechnology, Ewha university, Nano chemistry laboratory by Department of chemistry, Yonsei university, science education research center by Haying university, solid chemistry laboratory by Department of Nano science, Ewha university, the center of innovation of chemistry industry with R and D by LG chemistry, Korea Research Institute of Chemical Technology, Department of Chemistry, Sogang university, Department of Chemistry, Busan university and Department of Chemistry, Dankook university.

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

Physical chemistry II essentials

CERN Document Server

REA, The Editors of

1992-01-01

REA's Essentials provide quick and easy access to critical information in a variety of different fields, ranging from the most basic to the most advanced. As its name implies, these concise, comprehensive study guides summarize the essentials of the field covered. Essentials are helpful when preparing for exams, doing homework and will remain a lasting reference source for students, teachers, and professionals. Physical Chemistry II includes reaction mechanisms, theoretical approaches to chemical kinetics, gravitational work, electrical and magnetic work, surface work, kinetic theory, collisional and transport properties of gases, statistical mechanics, matter and waves, quantum mechanics, and rotations and vibrations of atoms and molecules.

Sign me up! Determining motivation for high school chemistry students enrolling in a second year chemistry course

Science.gov (United States)

Camarena, Nilda N.

A sample of 108 Pre-AP Chemistry students in Texas participated in a study to determine motivational factors for enrolling in AP Chemistry and University Chemistry. The factors measured were academic attitude, perceptions of chemistry, confidence level in chemistry, and expectations/experiences in the chemistry class. Students completed two questionnaires, one at the beginning of the year and one at the end. Four high school campuses from two school districts in Texas participated. Two campuses were traditional high schools and two were smaller magnet schools. The results from this study are able to confirm that there are definite correlations between academic attitudes, perceptions, confidence level, and experiences and a student's plans to enroll in AP and University Chemistry. The type of school as well as the student's gender seemed to have an influence on a student's plan to enroll in a second year of chemistry.

Modeling lightning-NOx chemistry on a sub-grid scale in a global chemical transport model

Directory of Open Access Journals (Sweden)

A. Gressent

2016-05-01

Full Text Available For the first time, a plume-in-grid approach is implemented in a chemical transport model (CTM to parameterize the effects of the nonlinear reactions occurring within high concentrated NOx plumes from lightning NOx emissions (LNOx in the upper troposphere. It is characterized by a set of parameters including the plume lifetime, the effective reaction rate constant related to NOx–O3 chemical interactions, and the fractions of NOx conversion into HNO3 within the plume. Parameter estimates were made using the Dynamical Simple Model of Atmospheric Chemical Complexity (DSMACC box model, simple plume dispersion simulations, and the 3-D Meso-NH (non-hydrostatic mesoscale atmospheric model. In order to assess the impact of the LNOx plume approach on the NOx and O3 distributions on a large scale, simulations for the year 2006 were performed using the GEOS-Chem global model with a horizontal resolution of 2° × 2.5°. The implementation of the LNOx parameterization implies an NOx and O3 decrease on a large scale over the region characterized by a strong lightning activity (up to 25 and 8 %, respectively, over central Africa in July and a relative increase downwind of LNOx emissions (up to 18 and 2 % for NOx and O3, respectively, in July. The calculated variability in NOx and O3 mixing ratios around the mean value according to the known uncertainties in the parameter estimates is at a maximum over continental tropical regions with ΔNOx [−33.1, +29.7] ppt and ΔO3 [−1.56, +2.16] ppb, in January, and ΔNOx [−14.3, +21] ppt and ΔO3 [−1.18, +1.93] ppb, in July, mainly depending on the determination of the diffusion properties of the atmosphere and the initial NO mixing ratio injected by lightning. This approach allows us (i to reproduce a more realistic lightning NOx chemistry leading to better NOx and O3 distributions on the large scale and (ii to focus on other improvements to reduce remaining uncertainties from processes

The global impact of the transport sectors on atmospheric aerosol in 2030 – Part 1: Land transport and shipping

Directory of Open Access Journals (Sweden)

M. Righi

2015-01-01

Full Text Available Using the EMAC (ECHAM/MESSy Atmospheric Chemistry global climate-chemistry model coupled to the aerosol module MADE (Modal Aerosol Dynamics model for Europe, adapted for global applications, we simulate the impact of land transport and shipping emissions on global atmospheric aerosol and climate in 2030. Future emissions of short-lived gas and aerosol species follow the four Representative Concentration Pathways (RCPs designed in support of the Fifth Assessment Report of the Intergovernmental Panel on Climate Change. We compare the resulting 2030 land-transport- and shipping-induced aerosol concentrations to the ones obtained for the year 2000 in a previous study with the same model configuration. The simulations suggest that black carbon and aerosol nitrate are the most relevant pollutants from land transport in 2000 and 2030 and their impacts are characterized by very strong regional variations during this time period. Europe and North America experience a decrease in the land-transport-induced particle pollution, although in these regions this sector remains a major source of surface-level pollution in 2030 under all RCPs. In Southeast Asia, however, a significant increase is simulated, but in this region the surface-level pollution is still controlled by other sources than land transport. Shipping-induced air pollution is mostly due to aerosol sulfate and nitrate, which show opposite trends towards 2030. Sulfate is strongly reduced as a consequence of sulfur reduction policies in ship fuels in force since 2010, while nitrate tends to increase due to the excess of ammonia following the reduction in ammonium sulfate. The aerosol-induced climate impact of both sectors is dominated by aerosol-cloud effects and is projected to decrease between 2000 and 2030, nevertheless still contributing a significant radiative forcing to Earth's radiation budget.

An evaluation of the performance of chemistry transport models by comparison with research aircraft observations. Part 1: Concepts and overall model performance

Directory of Open Access Journals (Sweden)

D. Brunner

2003-01-01

Full Text Available A rigorous evaluation of five global Chemistry-Transport and two Chemistry-Climate Models operated by several different groups in Europe, was performed. Comparisons were made of the models with trace gas observations from a number of research aircraft measurement campaigns during the four-year period 1995-1998. Whenever possible the models were run over the same four-year period and at each simulation time step the instantaneous tracer fields were interpolated to all coinciding observation points. This approach allows for a very close comparison with observations and fully accounts for the specific meteorological conditions during the measurement flights. This is important considering the often limited availability and representativity of such trace gas measurements. A new extensive database including all major research and commercial aircraft measurements between 1995 and 1998, as well as ozone soundings, was established specifically to support this type of direct comparison. Quantitative methods were applied to judge model performance including the calculation of average concentration biases and the visualization of correlations and RMS errors in the form of so-called Taylor diagrams. We present the general concepts applied, the structure and content of the database, and an overall analysis of model skills over four distinct regions. These regions were selected to represent various atmospheric conditions and to cover large geographical domains such that sufficient observations are available for comparison. The comparison of model results with the observations revealed specific problems for each individual model. This study suggests the further improvements needed and serves as a benchmark for re-evaluations of such improvements. In general all models show deficiencies with respect to both mean concentrations and vertical gradients of important trace gases. These include ozone, CO and NOx at the tropopause. Too strong two-way mixing across the

Radiation exposure resulting from the transport of radioactive materials within the United Kingdom

International Nuclear Information System (INIS)

Shaw, K.B.; Mairs, J.H.; Gelder, R.; Hughes, J.S.; Holyoak, B.

1983-01-01

The transport of technetium generators for hospital use accounts for some 50% of the occupational exposure from the normal transport of radioactive materials. Other isotopes for medical and industrial use contribute about 35% of the occupational exposure and some 15% can be attributed to transportation as a result of the nuclear fuel cycle including the transport of irradiated nuclear fuel. 5 references, 6 tables

Chemistry in CESM-SE: Evaluation, Performance and Optimization

Energy Technology Data Exchange (ETDEWEB)

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

2016-01-06

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

Effects of different centrifugation conditions on clinical chemistry and Immunology test results

Directory of Open Access Journals (Sweden)

Nesic Predrag

2011-05-01

Full Text Available Abstract Background The effect of centrifugation time of heparinized blood samples on clinical chemistry and immunology results has rarely been studied. WHO guideline proposed a 15 min centrifugation time without citing any scientific publications. The centrifugation time has a considerable impact on the turn-around-time. Methods We investigated 74 parameters in samples from 44 patients on a Roche Cobas 6000 system, to see whether there was a statistical significant difference in the test results among specimens centrifuged at 2180 g for 15 min, at 2180 g for 10 min or at 1870 g for 7 min, respectively. Two tubes with different plasma separators (both Greiner Bio-One were used for each centrifugation condition. Statistical comparisons were made by Deming fit. Results Tubes with different separators showed identical results in all parameters. Likewise, excellent correlations were found among tubes to which different centrifugation conditions were applied. Fifty percent of the slopes lay between 0.99 and 1.01. Only 3.6 percent of the statistical tests results fell outside the significance level of p Conclusion A centrifugation time of either 7 or 10 min provided identical test results compared to the time of 15 min as proposed by WHO under the conditions used in our study.

An Overview of Liquid Fluoride Salt Heat Transport Systems

Energy Technology Data Exchange (ETDEWEB)

Holcomb, David Eugene [ORNL; Cetiner, Sacit M [ORNL

2010-09-01

, and this report also describes more recently developed technologies such as dry gas seals. This report also provides a high-level, parametric evaluation of LSHT loop performance to allow general intercomparisons between heat-transport fluid options as well as provide an overview of the properties and requirements for a representative loop. A compilation of relevant thermophysical properties of useful fluoride salts is also included for salt heat transport systems. Fluoride salts can be highly corrosive depending on the container materials selected, the salt chemistry, and the operating procedures used. The report includes an overview of the state-of-the-art in reduction-oxidation chemistry control methodologies employed to minimize corrosion issues. Salt chemistry control technology, however, remains at too low a level of understanding for widespread industrial usage. Loop operational issues such as start-up procedures and system freeze-up vulnerability are also discussed. Liquid fluoride salts are a leading candidate heat transport medium for high-temperature applications. This report provides an overview of the current status of liquid salt heat transport technology. The report includes a high-level, parametric evaluation of liquid fluoride salt heat transport loop performance to allow intercomparisons between heat-transport fluid options as well as providing an overview of the properties and requirements for a representative loop. Much of the information presented here derives from the earlier molten salt reactor program and a significant advantage of fluoride salts, as high temperature heat transport media is their consequent relative technological maturity. The report also includes a compilation of relevant thermophysical properties of useful heat transport fluoride salts. Fluoride salts are both thermally stable and with proper chemistry control can be relatively chemically inert. Fluoride salts can, however, be highly corrosive depending on the container

Some results on the neutron transport and the coupling of equations

International Nuclear Information System (INIS)

Bal, G.

1997-01-01

Neutron transport in nuclear reactors is well modeled by the linear Boltzmann transport equation. Its resolution is relatively easy but very expensive. To achieve whole core calculations, one has to consider simpler models, such as diffusion or homogeneous transport equations. However, the solutions may become inaccurate in particular situations (as accidents for instance). That is the reason why we wish to solve the equations on small area accurately and more coarsely on the remaining part of the core. It is than necessary to introduce some links between different discretizations or modelizations. In this note, we give some results on the coupling of different discretizations of all degrees of freedom of the integral-differential neutron transport equation (two degrees for the angular variable, on for the energy component, and two or three degrees for spatial position respectively in 2D (cylindrical symmetry) and 3D). Two chapters are devoted to the coupling of discrete ordinates methods (for angular discretization). The first one is theoretical and shows the well posing of the coupled problem, whereas the second one deals with numerical applications of practical interest (the results have been obtained from the neutron transport code developed at the R and D, which has been modified for introducing the coupling). Next, we present the nodal scheme RTN0, used for the spatial discretization. We show well posing results for the non-coupled and the coupled problems. At the end, we deal with the coupling of energy discretizations for the multigroup equations obtained by homogenization. Some theoretical results of the discretization of the velocity variable (well-posing of problems), which do not deal directly with the purposes of coupling, are presented in the annexes. (author)

Development of a custom OMI NO2 data product for evaluating biases in a regional chemistry transport model

Science.gov (United States)

Kuhlmann, G.; Lam, Y. F.; Cheung, H. M.; Hartl, A.; Fung, J. C. H.; Chan, P. W.; Wenig, M. O.

2015-05-01

In this paper, we present the custom Hong Kong NO2 retrieval (HKOMI) for the Ozone Monitoring Instrument (OMI) on board the Aura satellite which was used to evaluate a high-resolution chemistry transport model (CTM) (3 km x 3 km spatial resolution). The atmospheric chemistry transport was modelled in the Pearl River Delta (PRD) region in southern China by the Models-3 Community Multiscale Air Quality (CMAQ) modelling system from October 2006 to January 2007. In the HKOMI NO2 retrieval, tropospheric air mass factors (AMFs) were recalculated using high-resolution ancillary parameters of surface reflectance, a priori NO2 and aerosol profiles, of which the latter two were taken from the CMAQ simulation. We tested the influence of the ancillary parameters on the data product using four different aerosol parametrizations. Ground-level measurements by the PRD Regional Air Quality Monitoring (RAQM) network were used as additional independent measurements. The HKOMI retrieval increases estimated tropospheric NO2 vertical column densities (VCD) by (+31 ± 38)%, when compared to NASA's standard product (OMNO2-SP), and improves the normalized mean bias (NMB) between satellite and ground observations by 26 percentage points from -41 to -15%. The individual influences of the parameters are (+11.4 ± 13.4)% for NO2 profiles, (+11.0 ± 20.9)% for surface reflectance and (+6.0 ± 8.4)% for the best aerosol parametrization. The correlation coefficient r is low between ground and satellite observations (r = 0.35). The low r and the remaining NMB can be explained by the low model performance and the expected differences when comparing point measurements with area-averaged satellite observations. The correlation between CMAQ and the RAQM network is low (r ~ 0.3) and the model underestimates the NO2 concentrations in the northwestern model domain (Foshan and Guangzhou). We compared the CMAQ NO2 time series of the two main plumes with our best OMI NO2 data set (HKOMI-4). The model

Air pollution in the Benelux/Rhine-Ruhr area: Numerical simulations with a multi-scale regional chemistry-transport model

Science.gov (United States)

Memmesheimer, M.; Jakobs, H. J.; Wurzler, S.; Friese, E.; Piekorz, G.; Ebel, A.

2009-04-01

The Rhine-Ruhr area is a strongly industrialized region with about 10 Million inhabitants. It is one of the regions in Europe, which has the characteristics of a megacity with respect to population density, traffic, industry and environmental issues. The main centre of European steel production and the biggest inland port of the world is located in Duisburg, one of the major cities in the Rhine-Ruhr area. Together with the nearby urban agglomerations in the Benelux area including Brussels, Amsterdam and in particular Rotterdam as one of the most important sea-harbours of the world together with Singapore and Shanghai, it forms one of the regions in Europe heavily loaded with air pollutants as ozone, NO2 and particulate matter. Ammonia emissions outside the urban agglomerations but within the domain are also on a quite high level due to intense agricultural usage in Benelux, North-Rhine-Westphalia and lower Saxony. Therefore this area acts also as an important source region for gaseous precursors contributing to the formation of secondary particles in the atmosphere. The Benelux/Rhine-Ruhr area therefore has been selected within the framework of the recently established FP7 research project CityZen as one hot spot for detailed investigations of the past and current status of air pollution and its future development on different spatial and temporal scales. Some examples from numerical simulations with the regional multi-scale chemistry transport model EURAD for Central Europe and the Rhine-Ruhr area will be presented. The model calculates the transport, chemical transformations and deposition of trace constituents in the troposphere from the surface up to about 16 km using MM5 as meteorological driver, the RACM-MIM gas-phase chemistry and MADE-SORGAM for the treatment of particulate matter. Horizontal grid sizes are in the range of 100 km down to 1 km for heavily polluted urbanized areas within Benelux/Rhine-Ruhr. The planetary boundary layer is resolved by 15

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.

Environmental Transport of Plutonium: Biogeochemical Processes at Femtomolar Concentrations and Nanometer Scales

Energy Technology Data Exchange (ETDEWEB)

Kersting, Annie B. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

2010-10-05

The major challenge in predicting the mobility and transport of plutonium (Pu) is determining the dominant geochemical processes that control its behavior in the subsurface. The reaction chemistry of Pu (i.e., aqueous speciation, solubility, sorptivity, redox chemistry, and affinity for colloidal particles, both abiotic and microbially mediated) is particularly complicated. It is generally thought that due to its low solubility and high sorptivity, Pu migration in the environment occurs only when facilitated by transport on particulate matter (i.e., colloidal particles). Despite the recognized importance of colloid-facilitated transport of Pu, very little is known about the geochemical and biochemical mechanisms controlling Pu-colloid formation and association, particularly at femtomolar Pu concentrations observed at DOE sites.

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.

Evaluation of a regional chemistry transport model using a newly developed regional OMI NO2 retrieval

Science.gov (United States)

Kuhlmann, G.; Lam, Y. F.; Cheung, H. M.; Hartl, A.; Fung, J. C. H.; Chan, P. W.; Wenig, M. O.

2014-12-01

In this paper, we evaluate a high-resolution chemistry transport model (CTM) (3 km x 3 km spatial resolution) with the new Hong Kong (HK) NO2 retrieval developed for the Ozone Monitoring Instrument (OMI) on-board the Aura satellite. The three-dimensional atmospheric chemistry was modelled in the Pearl River Delta (PRD) region in southern China by the Models-3 Community Multiscale Air Quality (CMAQ) modelling system from October 2006 to January 2007. In the HK NO2 retrieval, tropospheric air mass factors (AMF) were recalculated using high-resolution ancillary parameters of surface reflectance, NO2 profile shapes and aerosol profiles of which the latter two were taken from the CMAQ simulation. We also tested four different aerosol parametrizations. Ground level measurements by the PRD Regional Air Quality Monitoring (RAQM) network were used as additional independent measurements. The HK NO2 retrieval increases the NO2 vertical column densities (VCD) by (+31 ± 38) %, when compared to NASA's standard product (SP2), and reduces the mean bias (MB) between satellite and ground measurements by 26 percentage points from -41 to -15 %. The correlation coefficient r is low for both satellite datasets (r = 0.35) due to the high spatial variability of NO2 concentrations. The correlation between CMAQ and the RAQM network is low (r ≈ 0.3) and the model underestimates the NO2 concentrations in the north-western model domain (Foshan and Guangzhou). We compared the CMAQ NO2 time series of the two main plumes with our regional OMI NO2 product. The model overestimates the NO2 VCDs by about 15 % in Hong Kong and Shenzhen, while the correlation coefficient is satisfactory (r = 0.56). In Foshan and Guangzhou, the correlation is low (r = 0.37) and the model underestimates the VCDs strongly (MB = -40 %). In addition, we estimated that the OMI VCDs are also underestimated by about 10 to 20 % in Foshan and Guangzhou because of the influence of the model parameters on the AMF. In this study

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

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.

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.

Using MOPITT data and a Chemistry and Transport Model to Investigate Injection Height of Plumes from Boreal Forest Fires

Science.gov (United States)

Hyer, E. J.; Allen, D. J.; Kasischke, E. S.; Warner, J. X.

2003-12-01

Trace gas emissions from boreal forest fires are a significant factor in atmospheric composition and its interannual variability. A number of recent observations of emissions plumes above individual fire events (Fromm and Servranckx, 2003; COBRA 2003; Lamarque et al., 2003; Wotawa and Trainer, 2000) suggest that vertical properties of forest fire emission plumes can be very different from fossil fuel emission plumes. Understanding and constraining the vertical properties of forest fire emission plumes and their injection into the atmosphere during fire events is critical for accurate modeling of atmospheric transport and chemistry. While excellent data have been collected in a handful of experiments on individual fire events, a systematic examination of the range of behavior observed in fire events has been hampered by the scarcity of vertical profiles of atmospheric composition. In this study, we used a high-resolution model of boreal forest fire emissions (Kasischke et al, in review) as input to the Goddard/UM CTM driven by the GEOS-3 DAS, operating at 2 by 2.5 degrees with 35 vertical levels. We modeled atmospheric injection and transport of CO emissions during the fire season of 2000 (May-September). We altered the parameters of the model to simulate a range of scenarios of plume injection, and compared the resulting output to the CO profiles from the MOPITT instrument. The results presented here pertain to the boreal forest, but our methods should be useful for atmospheric modelers hoping to more realistically model transport of emission plumes from biomass burning. References: COBRA2003: see http://www.fas.harvard.edu/~cobra/smoke_canada_030530.pdf Fromm, M. and R. Servranckx, 2003. "Stratospheric Injection of Forest Fire Emissions on August 4, 1998: A Satellite Image Analysis of the Causal Supercell Convection." Geophysical Research Abstracts 5:13118. Kasischke, E.S.; E.J. Hyer, N.H.F. French, A.I. Sukhinin, J.H. Hewson, B.J. Stocks, in review. "Carbon

Water chemistry controlled aggregation and photo-transformation of silver nanoparticles in environmental waters.

Science.gov (United States)

Yin, Yongguang; Yang, Xiaoya; Zhou, Xiaoxia; Wang, Weidong; Yu, Sujuan; Liu, Jingfu; Jiang, Guibin

2015-08-01

The inevitable release of engineered silver nanoparticles (AgNPs) into aquatic environments has drawn great concerns about its environmental toxicity and safety. Although aggregation and transformation play crucial roles in the transport and toxicity of AgNPs, how the water chemistry of environmental waters influences the aggregation and transformation of engineered AgNPs is still not well understood. In this study, the aggregation of polyvinylpyrrolidone (PVP) coated AgNPs was investigated in eight typical environmental water samples (with different ionic strengths, hardness, and dissolved organic matter (DOM) concentrations) by using UV-visible spectroscopy and dynamic light scattering. Raman spectroscopy was applied to probe the interaction of DOM with the surface of AgNPs. Further, the photo-transformation and morphology changes of AgNPs in environmental waters were studied by UV-visible spectroscopy, inductively coupled plasma mass spectrometry, and transmission electron microscopy. The results suggested that both electrolytes (especially Ca(2+) and Mg(2+)) and DOM in the surface waters are key parameters for AgNP aggregation, and sunlight could accelerate the morphology change, aggregation, and further sedimentation of AgNPs. This water chemistry controlled aggregation and photo-transformation should have significant environmental impacts on the transport and toxicity of AgNPs in the aquatic environments. Copyright © 2015. Published by Elsevier B.V.

Kinetic modeling of microbially-driven redox chemistry of radionuclides in subsurface environments: Coupling transport, microbial metabolism and geochemistry

International Nuclear Information System (INIS)

Wang, Yifeng; Papenguth, Hans W.

2000-01-01

Microbial degradation of organic matter is a driving force in many subsurface geochemical systems, and therefore may have significant impacts on the fate of radionuclides released into subsurface environments. In this paper, the authors present a general reaction-transport model for microbial metabolism, redox chemistry, and radionuclide migration in subsurface systems. The model explicitly accounts for biomass accumulation and the coupling of radionuclide redox reactions with major biogeochemical processes. Based on the consideration that the biomass accumulation in subsurface environments is likely to achieve a quasi-steady state, they have accordingly modified the traditional microbial growth kinetic equation. They justified the use of the biogeochemical models without the explicit representation of biomass accumulation, if the interest of modeling is in the net impact of microbial reactions on geochemical processes. They then applied their model to a scenario in which an oxic water flow containing both uranium and completing organic ligands is recharged into an oxic aquifer in a carbonate formation. The model simulation shows that uranium can be reduced and therefore immobilized in the anoxic zone created by microbial degradation

Kinetic modeling of microbially-driven redox chemistry of radionuclides in subsurface environments: Coupling transport, microbial metabolism and geochemistry

Energy Technology Data Exchange (ETDEWEB)

WANG,YIFENG; PAPENGUTH,HANS W.

2000-05-04

Microbial degradation of organic matter is a driving force in many subsurface geochemical systems, and therefore may have significant impacts on the fate of radionuclides released into subsurface environments. In this paper, the authors present a general reaction-transport model for microbial metabolism, redox chemistry, and radionuclide migration in subsurface systems. The model explicitly accounts for biomass accumulation and the coupling of radionuclide redox reactions with major biogeochemical processes. Based on the consideration that the biomass accumulation in subsurface environments is likely to achieve a quasi-steady state, they have accordingly modified the traditional microbial growth kinetic equation. They justified the use of the biogeochemical models without the explicit representation of biomass accumulation, if the interest of modeling is in the net impact of microbial reactions on geochemical processes. They then applied their model to a scenario in which an oxic water flow containing both uranium and completing organic ligands is recharged into an oxic aquifer in a carbonate formation. The model simulation shows that uranium can be reduced and therefore immobilized in the anoxic zone created by microbial degradation.

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.

Effect of Ichthyophonus on blood plasma chemistry of spawning Chinook salmon and their resulting offspring in a Yukon River tributary.

Science.gov (United States)

Floyd-Rump, T P; Horstmann-Dehn, L A; Atkinson, S; Skaugstad, C

2017-01-24

Ichthyophonus is a protozoan parasite of Alaska Chinook salmon Oncorhynchus tshawytscha. In this study, we determined whether spawning Chinook salmon in the Yukon River drainage exhibited a measurable stress response (i.e. elevated plasma cortisol concentrations) and detectable changes in selected blood plasma chemistry parameters when infected with Ichthyophonus. The resulting alevin were also analyzed for any differences in blood plasma chemistry caused by parental infection with Ichthyophonus. In 2010, 2011, and 2012, spawning adult Chinook salmon were collected from the Salcha River, Alaska, USA, and the prevalence of Ichthyophonus in these fish was 7.8, 6.3, and 8.3%, respectively. Fish with no clinical signs of Ichthyophonus and Ichthyophonus-positive parents were cross-fertilized to investigate potential second-generation effects as a result of Ichthyophonus infection. We found no significant difference in cortisol concentrations in blood plasma between Ichthyophonus-positive and -negative adults or between alevin from Ichthyophonus-positive and -negative parents. There were no significant differences in blood plasma parameters (e.g. alanine aminotransferase, creatine kinase, glucose) of Ichthyophonus-negative and -positive adults, with the exception of aspartate aminotransferase, which was significantly higher in plasma of Ichthyophonus-negative adults. All clinical chemistry parameters for alevin resulting from both Ichthyophonus-negative and -positive parents were not significantly different. Based on this study, which has a limited sample size and low prevalence of Ichthyophonus, offspring of Chinook salmon appear to suffer no disadvantage as a result of Ichthyophonus infection in their parents on the Salcha River.

Strong atmospheric chemistry feedback to climate warming from Arctic methane emissions

Science.gov (United States)

Isaksen, Ivar S.A.; Gauss, Michael; Myhre, Gunnar; Walter Anthony, Katey M.; Ruppel, Carolyn

2011-01-01

The magnitude and feedbacks of future methane release from the Arctic region are unknown. Despite limited documentation of potential future releases associated with thawing permafrost and degassing methane hydrates, the large potential for future methane releases calls for improved understanding of the interaction of a changing climate with processes in the Arctic and chemical feedbacks in the atmosphere. Here we apply a “state of the art” atmospheric chemistry transport model to show that large emissions of CH4 would likely have an unexpectedly large impact on the chemical composition of the atmosphere and on radiative forcing (RF). The indirect contribution to RF of additional methane emission is particularly important. It is shown that if global methane emissions were to increase by factors of 2.5 and 5.2 above current emissions, the indirect contributions to RF would be about 250% and 400%, respectively, of the RF that can be attributed to directly emitted methane alone. Assuming several hypothetical scenarios of CH4 release associated with permafrost thaw, shallow marine hydrate degassing, and submarine landslides, we find a strong positive feedback on RF through atmospheric chemistry. In particular, the impact of CH4 is enhanced through increase of its lifetime, and of atmospheric abundances of ozone, stratospheric water vapor, and CO2 as a result of atmospheric chemical processes. Despite uncertainties in emission scenarios, our results provide a better understanding of the feedbacks in the atmospheric chemistry that would amplify climate warming.

Integrating chemistry into 3D climate models: Detailed kinetics in the troposphere and stratosphere of a global climate model

Energy Technology Data Exchange (ETDEWEB)

Kao, C.Y.J.; Elliott, S. [Los Alamos National Lab., NM (United States). Earth and Environmental Sciences Div.; Turco, R.P.; Zhao, X. [Univ. of California, Los Angeles, CA (United States)

1997-11-01

This is the final report of a three-year, Laboratory Directed Research and Development (LDRD) project at Los Alamos National Laboratory (LANL). The motivation for the project is to create the first complete, three-dimensional climate model that enfolds atmospheric photochemistry. The LANL chemical global climate model (GCM) not only distributes the trace greenhouse gases and modifies their concentrations within the detailed photochemical web, but also permits them to influence the radiation field and so force their own transport. Both atmospheric chemistry and fluid dynamics are nonlinear and zonally asymmetric phenomena. They can only be adequately modeled in three dimensions on the global grid. The kinetics-augmented GCM is the only program within the atmospheric community capable of investigating interaction involving chemistry and transport. The authors have conducted case studies of timely three-dimensional chemistry issues. Examples include ozone production from biomass burning plumes, kinetic feedbacks in zonally asymmetric transport phenomena with month- to year-long time scales, and volcano sulfate aerosols with respect to their potential effects on tropospheric ozone depletion.

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.

Transepithelial transport and toxicity of PAMAM dendrimers: implications for oral drug delivery.

Science.gov (United States)

Sadekar, S; Ghandehari, H

2012-05-01

This article summarizes efforts to evaluate poly(amido amine) (PAMAM) dendrimers as carriers for oral drug delivery. Specifically, the effect of PAMAM generation, surface charge and surface modification on toxicity, cellular uptake and transepithelial transport is discussed. Studies on Caco-2 monolayers, as models of intestinal epithelial barrier, show that by engineering surface chemistry of PAMAM dendrimers, it is possible to minimize toxicity while maximizing transepithelial transport. It has been demonstrated that PAMAM dendrimers are transported by a combination of paracellular and transcellular routes. Depending on surface chemistry, PAMAM dendrimers can open the tight junctions of epithelial barriers. This tight junction opening is in part mediated by internalization of the dendrimers. Transcellular transport of PAMAM dendrimers is mediated by a variety of endocytic mechanisms. Attachment or complexation of cytotoxic agents to PAMAM dendrimers enhances the transport of such drugs across epithelial barriers. A remaining challenge is the design and development of linker chemistries that are stable in the gastrointestinal tract (GIT) and the blood stream, but amenable to cleavage at the target site of action. Recent efforts have focused on the use of PAMAM dendrimers as penetration enhancers. Detailed in vivo oral bioavailability of PAMAM dendrimer-drug conjugates, as a function of physicochemical properties will further need to be assessed. Copyright © 2011 Elsevier B.V. All rights reserved.

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

Defect chemistry and oxygen transport of (La0.6Sr0.4-xMx)(0.99)Co0.2Fe0.8O3-delta, M = Ca (x=0.05, 0.1), Ba (x=0.1, 0.2), Sr Part I: Defect chemistry

DEFF Research Database (Denmark)

Dalslet, Bjarke Thomas; Søgaard, Martin; Bouwmeester, Henry J.M.

2009-01-01

This paper is the first part of a two part series, where the effects of varying the A-site dopant on the defect chemistry, the diffusion coefficient and the surface catalytic properties of the materials (La0.6Sr0.4 − xMx)0.99Co0.2Fe0.8O3 − δ, M = Sr, Ca (x = 0.05, 0.1), Ba (x = 0.1, 0.2) (LSMFC......) have been investigated. In part I, the findings on the defect chemistry are reported, while the transport properties are reported in part II. Substitution of Sr2+ ions with Ca2+ ions (smaller ionic radius) and Ba2+ ions (larger ionic radius) strains the crystal structure differently for each...... composition while keeping the average valence of the cations constant. The Ba2+ containing materials show the largest oxygen loss at elevated temperatures, while the purely Sr2+ doped material showed the smallest oxygen loss. This was reflected in the partial oxidation entropy of the materials. The measured...

Recent results on heterojunctions and superlattices: transport and optics

International Nuclear Information System (INIS)

Voos, M.

1983-01-01

Recent experimental results obtained on two-dimensional semiconductor structures, namely heterojunctions and superlattices are presented. This review, which includes both optical and transport experiments, is not exhaustive, but describes briefly some investigations which are thought to be important from the point of view of fundamental physics. (Author) [pt

Modeling electrokinetic transport in phenol contaminated soils

Energy Technology Data Exchange (ETDEWEB)

Zorn, R.; Haus, R.; Czurda, K. [Dept. of Applied Geology, Univ. Karlsruhe (Germany)

2001-07-01

Numerical simulations are compared to laboratory experiments of electroremediation in soils contaminated by phenolic pollutants. The developing pH affects the electrokinetic transport behaviour of phenol. It is found that a water chemistry model must be included in an electrokinetic mass transport model to describe the process of electroremediation more accurately, if no buffering system is used at the electrodes. In the case of controlling the pH at the electrode compartments only a simplified chemical reaction model must be included in the numerical code to match the experimental phenolic transport. (orig.)

Fission product chemistry in severe nuclear reactor accidents, specialists' meeting at JRC-Ispra, 15-17 January 1990

International Nuclear Information System (INIS)

Nichols, A.L.

1990-05-01

A specialists' 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). (author)

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.

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

Session 4: The influence of elementary heterogeneous reforming chemistry within solid-oxide fuel cell anodes

Energy Technology Data Exchange (ETDEWEB)

Zhu, H.; Kee, R.J. [Engineering Division, Colorado School of Mines, Golden, CO (United States); Janardhanan, V.M.; Deutschmann, O. [Karlsruhe Univ., Institute for Chemical Technology (Germany); Goodwin, D.G. [Engineering and Applied Science., California Inst. of Technology, Pasadena, CA (United States); Sullivan, N.P. [ITN Energy Systems, Littleton, CO (United States)

2004-07-01

In the work presented a computational model is developed that represents the coupled effects of fluid flow in fuel channels, porous media transport and chemistry in the anode, and electrochemistry associated with the membrane-electrode assembly. An important objective is to explore the role of heterogeneous chemistry within the anode. In addition to cell electrical performance the chemistry model predicts important behaviors like catalyst-fouling deposit formation (i.e., coking). The model is applied to investigate alternative fuel-cell operating conditions, including varying fuel flow rates, adding air to the fuel stream, and recirculating exhaust gases. Results include assessments of performance metrics like fuel utilization, cell efficiency, power density, and catalyst coking. The model shows that 'direct electrochemical oxidation' of hydrocarbon fuels in solid-oxide fuel cells can be explained by a process that involves reforming the fuel to H{sub 2}, with hydrogen being the only species responsible for charge exchange. The model can be applied to investigate alternative design and operating conditions, seeking to improve the overall performance. (O.M.)

Modern Analytical Chemistry in the Contemporary World

Science.gov (United States)

Šíma, Jan

2016-01-01

Students not familiar with chemistry tend to misinterpret analytical chemistry as some kind of the sorcery where analytical chemists working as modern wizards handle magical black boxes able to provide fascinating results. However, this approach is evidently improper and misleading. Therefore, the position of modern analytical chemistry among…

HMI Department of Nuclear Chemistry and Reactor. Scientific report 1985

International Nuclear Information System (INIS)

1985-01-01

The annual report presents the results of the R and D activities in the following fields of work: 1) Neutron scattering (crystals physics, crystal structure and chemical bonding, studies for developments and modifications in the BER-2), 2) Radiation-induced damage to solids (defect reactions, atomic transport, change of mechanical properties of materials, or stability of alloys, development of thermonuclear reactor materials). 3) Reactor chemistry (solidification of radioactive wastes, corrosion and behaviour of gases in graphite). 4) Trace elements and their significance for health and food (transport and accumulation in the organism, development of analytical methods for diagnostic and therapy control purposes). 5) Geochemical prospecting of deposits (element abundance in earth crust or deposits, geochemical indicators, complex forming constants and distribution coefficients in geochemical systems). 6. Neutron scattering II (spectrometer equipment for inelastic neutron scattering experiments in the BER-2). The report also lists publications, lectures, and other scientific literature prepared by HMI members in 1985, and work performed by guest scientists. (RB) [de

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

Charge Transport Processes in Molecular Junctions

Science.gov (United States)

Smith, Christopher Eugene

Molecular electronics (ME) has evolved into a rich area of exploration that combines the fields of chemistry, materials, electronic engineering and computational modeling to explore the physics behind electronic conduction at the molecular level. Through studying charge transport properties of single molecules and nanoscale molecular materials the field has gained the potential to bring about new avenues for the miniaturization of electrical components where quantum phenomena are utilized to achieve solid state molecular device functionality. Molecular junctions are platforms that enable these studies and consist of a single molecule or a small group of molecules directly connected to electrodes. The work presented in this thesis has built upon the current understanding of the mechanisms of charge transport in ordered junctions using self-assembled monolayer (SAM) molecular thin films. Donor and acceptor compounds were synthesized and incorporated into SAMs grown on metal substrates then the transport properties were measured with conducting probe atomic force microscopy (CP-AFM). In addition to experimentally measured current-voltage (I-V) curves, the transport properties were addressed computationally and modeled theoretically. The key objectives of this project were to 1) investigate the impact of molecular structure on hole and electron charge transport, 2) understand the nature of the charge carriers and their structure-transport properties through long (chemically gated to modulate the transport. These results help advance our understanding of transport behavior in semiconducting molecular thin films, and open opportunities to engineer improved electronic functionality into molecular devices.

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...

KfK Institute for Hot Atom Chemistry. Results report on research and development activities 1989

International Nuclear Information System (INIS)

1990-03-01

The Institute for Hot Atom Chemistry is concerned with R and D tasks in nuclear fuel reprocessing. The aim is to optimize reprocessing technology with a view to safety and economic efficiency. Work is carried out within the framework of the projects reprocessing and waste management, and fast breeder in contact with WAK. The Institute increasingly carries out work within the framework of the project pollution abatement in the environment; the emphasis lies on dioxin chemistry. After the Wackersdorf task, subjects of waste management, in particular special wastes, have been added. (orig.) [de

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.

Emission, transport, and radiative effects of mineral dust from the Taklimakan and Gobi deserts: comparison of measurements and model results

Science.gov (United States)

Chen, Siyu; Huang, Jianping; Kang, Litai; Wang, Hao; Ma, Xiaojun; He, Yongli; Yuan, Tiangang; Yang, Ben; Huang, Zhongwei; Zhang, Guolong

2017-02-01

The Weather Research and Forecasting Model with chemistry (WRF-Chem model) was used to investigate a typical dust storm event that occurred from 18 to 23 March 2010 and swept across almost all of China, Japan, and Korea. The spatial and temporal variations in dust aerosols and the meteorological conditions over East Asia were well reproduced by the WRF-Chem model. The simulation results were used to further investigate the details of processes related to dust emission, long-range transport, and radiative effects of dust aerosols over the Taklimakan Desert (TD) and Gobi Desert (GD). The results indicated that weather conditions, topography, and surface types in dust source regions may influence dust emission, uplift height, and transport at the regional scale. The GD was located in the warm zone in advance of the cold front in this case. Rapidly warming surface temperatures and cold air advection at high levels caused strong instability in the atmosphere, which strengthened the downward momentum transported from the middle and low troposphere and caused strong surface winds. Moreover, the GD is located in a relatively flat, high-altitude region influenced by the confluence of the northern and southern westerly jets. Therefore, the GD dust particles were easily lofted to 4 km and were the primary contributor to the dust concentration over East Asia. In the dust budget analysis, the dust emission flux over the TD was 27.2 ± 4.1 µg m-2 s-1, which was similar to that over the GD (29 ± 3.6 µg m-2 s-1). However, the transport contribution of the TD dust (up to 0.8 ton d-1) to the dust sink was much smaller than that of the GD dust (up to 3.7 ton d-1) because of the complex terrain and the prevailing wind in the TD. Notably, a small amount of the TD dust (PM2.5 dust concentration of approximately 8.7 µg m-3) was lofted to above 5 km and transported over greater distances under the influence of the westerly jets. Moreover, the direct radiative forcing induced by dust

Popular Science Articles for Chemistry Teaching

Directory of Open Access Journals (Sweden)

Ketevan Kupatadze

2017-07-01

Full Text Available The presented paper reviews popular science articles (these articles are published in online magazine “The Teacher” as one of the methods of chemistry teaching. It describes which didactic principles they are in line with and how this type of articles can be used in order to kindle the interest of pupils, students and generally, the readers of other specialties, in chemistry.  The articles review the main topics of inorganic/organic chemistry, biochemistry and ecological chemistry in a simple and entertaining manner. A part of the articles is about "household" chemistry. Chemical topics are related to poetry, literature, history of chemistry or simply, to fun news. The paper delineates the structure of popular science articles and the features of engaging students. It also reviews the teachers' and students' interview results about the usage of popular science articles in chemistry teaching process. The aforementioned pedagogical study revealed that the popular science articles contain useful information not only for the students of other specialties, but also for future biologists and ecologists (having chemistry as a mandatory subject at their universities. The articles are effectively used by teachers on chemistry lessons to kindle students' interest in this subject. DOI: http://dx.doi.org/10.17807/orbital.v9i3.960 

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)

Laboratory-based clinical audit as a tool for continual improvement: an example from CSF chemistry turnaround time audit in a South-African teaching hospital.

Science.gov (United States)

Imoh, Lucius C; Mutale, Mubanga; Parker, Christopher T; Erasmus, Rajiv T; Zemlin, Annalise E

2016-01-01

Timeliness of laboratory results is crucial to patient care and outcome. Monitoring turnaround times (TAT), especially for emergency tests, is important to measure the effectiveness and efficiency of laboratory services. Laboratory-based clinical audits reveal opportunities for improving quality. Our aim was to identify the most critical steps causing a high TAT for cerebrospinal fluid (CSF) chemistry analysis in our laboratory. A 6-month retrospective audit was performed. The duration of each operational phase across the laboratory work flow was examined. A process-mapping audit trail of 60 randomly selected requests with a high TAT was conducted and reasons for high TAT were tested for significance. A total of 1505 CSF chemistry requests were analysed. Transport of samples to the laboratory was primarily responsible for the high average TAT (median TAT = 170 minutes). Labelling accounted for most delays within the laboratory (median TAT = 71 minutes) with most delays occurring after regular work hours (P audit identified sample transportation, work shift periods and use of inappropriate CSF sample tubes as drivers of high TAT for CSF chemistry in our laboratory. The results of this audit will be used to change pre-analytical practices in our laboratory with the aim of improving TAT and customer satisfaction.

Fuels and Combustion | Transportation Research | NREL

Science.gov (United States)

Fuels and Combustion Fuels and Combustion This is the March 2015 issue of the Transportation and , combustion strategy, and engine design hold the potential to maximize vehicle energy efficiency and performance of low-carbon fuels in internal combustion engines with a whole-systems approach to fuel chemistry

Assessment of EPRI water chemistry guidelines for new nuclear power plants

Energy Technology Data Exchange (ETDEWEB)

Kim, K.; Fruzzetti, K.; Garcia, S. [Electric Power Research Inst., Palo Alto, California (United States); Eaker, R. [Richard W. Eaker, LLC, Matthews, North Carolina (United States); Giannelli, J.; Tangen, J. [Finetech, Inc., Parsippany, New Jersey (United States); Gorman, J.; Marks, C. [Dominion Engineering, Inc., Reston, Virginia (United States); Sawochka, S. [NWT Corp., San Jose, California (United States)

2010-07-01

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 current 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 industry approved water chemistry controls. In parallel, the industry will need to consider and develop updated water chemistry guidelines as well as plant startup and operational strategies based on the advanced plant designs. In 2010, EPRI began to assess chemistry control strategies at advanced plants, based on the Design Control Documents (DCDs), Combined Construction and Operating License Applications (COLA), and operating experiences (where they exist) against current Water Chemistry Guidelines. Based on this assessment, differences between planned chemistry operations at new plants and the current Guidelines will be identified. This assessment will form the basis of future activities to address these differences. The project will also assess and provide, as feasible, water chemistry guidance for startup and hot functional testing of the new plants. EPRI will initially assess the GE-Hitachi/Toshiba ABWR and the Westinghouse AP1000 designs. EPRI subsequently plans to assess other plant designs such as the AREVA U.S. EPR, Mitsubishi Heavy Industries (MHI) U.S. APWR, and GE-Hitachi (GE-H) ESBWR. This paper discusses the 2010 assessments of the ABWR and AP1000. (author)

Assessment of EPRI water chemistry guidelines for new nuclear power plants

International Nuclear Information System (INIS)

Kim, K.; Fruzzetti, K.; Garcia, S.; Eaker, R.; Giannelli, J.; Tangen, J.; Gorman, J.; Marks, C.; Sawochka, S.

2010-01-01

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 current 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 industry approved water chemistry controls. In parallel, the industry will need to consider and develop updated water chemistry guidelines as well as plant startup and operational strategies based on the advanced plant designs. In 2010, EPRI began to assess chemistry control strategies at advanced plants, based on the Design Control Documents (DCDs), Combined Construction and Operating License Applications (COLA), and operating experiences (where they exist) against current Water Chemistry Guidelines. Based on this assessment, differences between planned chemistry operations at new plants and the current Guidelines will be identified. This assessment will form the basis of future activities to address these differences. The project will also assess and provide, as feasible, water chemistry guidance for startup and hot functional testing of the new plants. EPRI will initially assess the GE-Hitachi/Toshiba ABWR and the Westinghouse AP1000 designs. EPRI subsequently plans to assess other plant designs such as the AREVA U.S. EPR, Mitsubishi Heavy Industries (MHI) U.S. APWR, and GE-Hitachi (GE-H) ESBWR. This paper discusses the 2010 assessments of the ABWR and AP1000. (author)

Activation analysis in water chemistry

International Nuclear Information System (INIS)

Szabo, A.; Toth, A.

1978-01-01

The potential applications of activation analysis in water chemistry are discussed. The principle, unit operations, the radiation sources and measuring instruments of activation analysis are described. The sensitivity of activation analysis is given in tabulated form for some elements of major importance in water chemistry and the elements readily accessible to determination by measurement of the spontaneous gamma radiation are listed. A few papers selected from the recent international professional literature are finally reviewed, in which the authors report on the results obtained by activation analysis applied to water chemistry. (author)

PWR secondary water chemistry guidelines

International Nuclear Information System (INIS)

Bell, M.J.; Blomgren, J.C.; Fackelmann, J.M.

1982-10-01

Steam generators in pressurized water reactor (PWR) nuclear power plants have experienced tubing degradation by a variety of corrosion-related mechanisms which depend directly on secondary water chemistry. As a result of this experience, the Steam Generator Owners Group and EPRI have sponsored a major program to provide solutions to PWR steam generator problems. This report, PWR Secondary Water Chemistry Guidelines, in addition to presenting justification for water chemistry control parameters, discusses available analytical methods, data management and surveillance, and the management philosophy required to successfully implement the guidelines

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

Perceived risks of radioactive waste transport through Oregon: Results of a statewide survey

International Nuclear Information System (INIS)

MacGregor, D.; Slovic, P.; Mason, R.G.; Detweiler, J.; Binney, S.E.; Dodd, B.

1994-01-01

Transportation of hazardous materials, and particularly radioactive wastes, on public highways has become an important risk management issue. The unfavorability of public attitudes regarding hazardous and nuclear waste signals the potential for strong public opposition to programs for transporting these materials. This paper presents the results of a survey conducted to assess public reactions to a long-term nuclear waste transport program planned to follow a route through a portion of rural Oregon. The survey assessed a number of key risk perception issues, including perceived health and safety risks of nuclear waste transport, relative risks of transport vs. storage at an existing site, trust in state officials, and satisfaction with life in communities along the transport route. The survey identified a number of attitudes and concerns that need to be understood and considered by those in charge of designing and implementing the waste-transportation program. 22 refs., 1 fig., 5 tabs

Transport of silver nanoparticles in single fractured sandstone

Science.gov (United States)

Neukum, Christoph

2018-02-01

Silver nanoparticles (Ag-NP) are used in various consumer products and are one of the most prevalent metallic nanoparticle in commodities and are released into the environment. Transport behavior of Ag-NP in groundwater is one important aspect for the assessment of environmental impact and protection of drinking water resources in particular. Ag-NP transport processes in saturated single-fractured sandstones using triaxial flow cell experiments with different kind of sandstones is investigated. Ag-NP concentration and size are analyzed using flow field-flow fractionation and coupled SEM-EDX analysis. Results indicate that Ag-NP are more mobile and show generally lower attachment on rock surface compared to experiments in undisturbed sandstone matrix and partially fractured sandstones. Ag-NP transport is controlled by the characteristics of matrix porosity, time depending blocking of attachment sites and solute chemistry. Where Ag-NP attachment occur, it is heterogeneously distributed on the fracture surface.

Technetium Chemistry in High-Level Waste

International Nuclear Information System (INIS)

Hess, Nancy J.

2006-01-01

Tc contamination is found within the DOE complex at those sites whose mission involved extraction of plutonium from irradiated uranium fuel or isotopic enrichment of uranium. At the Hanford Site, chemical separations and extraction processes generated large amounts of high level and transuranic wastes that are currently stored in underground tanks. The waste from these extraction processes is currently stored in underground High Level Waste (HLW) tanks. However, the chemistry of the HLW in any given tank is greatly complicated by repeated efforts to reduce volume and recover isotopes. These processes ultimately resulted in mixing of waste streams from different processes. As a result, the chemistry and the fate of Tc in HLW tanks are not well understood. This lack of understanding has been made evident in the failed efforts to leach Tc from sludge and to remove Tc from supernatants prior to immobilization. Although recent interest in Tc chemistry has shifted from pretreatment chemistry to waste residuals, both needs are served by a fundamental understanding of Tc chemistry

Making Decisions by Analytical Chemistry

DEFF Research Database (Denmark)

Andersen, Jens Enevold Thaulov

. These discrepancies are very unfortunate because erroneous conclusions may arise from an otherwise meticulous and dedicated effort of research staff. This may eventually lead to unreliable conclusions thus jeopardizing investigations of environmental monitoring, climate changes, food safety, clinical chemistry......It has been long recognized that results of analytical chemistry are not flawless, owing to the fact that professional laboratories and research laboratories analysing the same type of samples by the same type of instruments are likely to obtain significantly different results. The European......, forensics and other fields of science where analytical chemistry is the key instrument of decision making. In order to elucidate the potential origin of the statistical variations found among laboratories, a major program was undertaken including several analytical technologies where the purpose...

THE ANALYSIS OF SEVERAL RESULTS OBTAINED BY ROMANIA IN THE FIELD OF SUSTAINABLE TRANSPORT

Directory of Open Access Journals (Sweden)

Perțicaș Diana Claudia

2015-07-01

Full Text Available We know that between the transport sector and all other branches of economy there is a strong interdependence link but also between it and the surrounding environment, being one of the most polluting sectors of activity. Transport is considered a primary field in any national economy development context, especially if we take into account its interdependence with other branches of national economy. Developing of transports also includes improving road, rail, river and sea services, as well as air transports. The objectives of the EU aim especially to modernize the transport infrastructures, be them by road, ship or by air, which would result in increasing the speed of freight transport, fluidizing traffic, attracting new foreign investors in various areas, accelerating the renewal of the auto park and decommissioning morally and physically worn vehicles which are extremely pollutant, the revival of maritime transports through Romanian ports, progressive completion of imposed performances through standards and regulations on the transport market, etc. All these objectives have as a main purpose the reducing of energy consumption, reducing transport costs as well as increasing competition in the national transport system.The development of transport has the role of stimulating public transport services and to guarantee a minimum general accessibility to public services for all citizens. Children, the elderly, disabled people or other vulnerable categories of people are not and will not be forgotten, for which certain standards set by the European Union must be respected.The present paper wishes to analyze a part of the results, either positive or negative, in the field of transports, made by our country.

Charge transport in metal oxide nanocrystal-based materials

Science.gov (United States)

Runnerstrom, Evan Lars

structure. Charge transport can obviously be taken to mean the conduction of electrons, but it also refers to the motion of ions, such as lithium ions and protons. In many cases, the transport of ions is married to the motion of electrons as well, either through an external electrical circuit, or within the same material in the case of mixed ionic electronic conductors. The collective motion of electrons over short length scales, that is, within single nanocrystals, is also a subject of study as it pertains to plasmonic nanocrystals. Finally, charge transport can also be coupled to or result from the formation of defects in metal oxides. All of these modes of charge transport in metal oxides gain further complexity when considered in nanocrystalline systems, where the introduction of numerous surfaces can change the character of charge transport relative to bulk systems, providing opportunities to exploit new physical phenomena. Part I of this dissertation explores the combination of electronic and ionic transport in electrochromic devices based on nanocrystals. Colloidal chemistry and solution processing are used to fabricate nanocomposites based on electrochromic tin-doped indium oxide (ITO) nanocrystals. The nanocomposites, which are completely synthesized using solution processing, consist of ITO nanocrystals and lithium bis(trifluoromethylsulfonyl)amide (LiTFSI) salt dispersed in a lithium ion-conducting polymer matrix of either poly(ethylene oxide) (PEO) or poly(methyl methacrylate) (PMMA). ITO nanocrystals are prepared by colloidal synthetic methods and the nanocrystal surface chemistry is modified to achieve favorable nanocrystal-polymer interactions. Homogeneous solutions containing polymer, ITO nanocrystals, and lithium salt are thus prepared and deposited by spin casting. Characterization by DC electronic measurements, microscopy, and x-ray scattering techniques show that the ITO nanocrystals form a complete, connected electrode within a polymer electrolyte

Intercontinental Transport of Aerosols: Implication for Regional Air Quality

Science.gov (United States)

Chin, Mian; Diehl, Thomas; Ginoux, Paul

2006-01-01

Aerosol particles, also known as PM2.5 (particle diameter less than 2.5 microns) and PM10 (particle diameter less than 10 microns), is one of the key atmospheric components that determine ambient air quality. Current US air quality standards for PM10 (particles with diameter air pollution problems, aerosols can be transported on a hemispheric or global scale. In this study, we use the Goddard Chemistry Aerosol Radiation and Transport (GOCART) model to quantify contributions of long-range transport vs. local/regional pollution sources and from natural vs. anthropogenic sources to PM concentrations different regions. In particular, we estimate the hemispheric impact of anthropogenic sulfate aerosols and dust from major source areas on other regions in the world. The GOCART model results are compared with satellite remote sensing and ground-based network measurements of aerosol optical depth and concentrations.

Dynamic Combinatorial Chemistry

DEFF Research Database (Denmark)

Lisbjerg, Micke

This thesis is divided into seven chapters, which can all be read individually. The first chapter, however, contains a general introduction to the chemistry used in the remaining six chapters, and it is therefore recommended to read chapter one before reading the other chapters. Chapter 1...... is a general introductory chapter for the whole thesis. The history and concepts of dynamic combinatorial chemistry are described, as are some of the new and intriguing results recently obtained. Finally, the properties of a broad range of hexameric macrocycles are described in detail. Chapter 2 gives...

LLNL SFA FY11 Program Management and Performance Report: Environmental Transport of Plutonium

Energy Technology Data Exchange (ETDEWEB)

Kersting, Annie B. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Powell, Brian A. [Clemson Univ., SC (United States); Moser, Duane [Desert Research Inst. (DRI), Las Vegas, NV (United States); Carroll, Susan A. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Maxwell, Robert [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Dai, Zurong [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Williams, Ross [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Tumey, Scott [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Zhao, Pihong [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Tinnacher, Ruth [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Huang, Patrick [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Kips, Ruth [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Mason, Harris [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Begg, James [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Fisher, Jen [Desert Research Inst. (DRI), Las Vegas, NV (United States); Simpkins, Laura [Clemson Univ., SC (United States); Zimmerman, Trevor [Clemson Univ., SC (United States); Jablonski, Joseph [Clemson Univ., SC (United States); Snow, Matthew [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

2011-07-01

The major challenge in predicting the mobility and transport of plutonium (Pu) is determining the dominant geochemical processes that control its behavior in the subsurface. The reaction chemistry of Pu (i.e., aqueous speciation, solubility, sorptivity, redox chemistry, and affinity for colloidal particles, both abiotic and microbially mediated) is particularly complicated. It is generally thought that due to its low solubility and high sorptivity, Pu migration in the environment occurs only when facilitated by transport on particulate matter (i.e., colloidal particles). Despite the recognized importance of colloid-facilitated transport of Pu, very little is known about the geochemical and biochemical mechanisms controlling Pu-colloid formation and association, particularly at femtomolar Pu concentrations observed at DOE sites. This 5-year program is designed to test the important biogeochemical processes governing colloid-facilitated Pu transport in the field.

Design, construction and mounting of a container for transportation and storage of a closed plutonium glove box

International Nuclear Information System (INIS)

Aparicio, G.; Insegna, M.A.; Mathot, S.R.; Munoz, C.; Orlando, O.S.; Salguero, D.

1990-01-01

With the aim of confining a closed chemistry glove box (with reference to papers: 'Closure of an analytical chemistry glove box in alpha Laboratory' and 'Disconnection and transportation of a closed plutonium glove box to a controlled zone'), it was necessary to design and construct a container to assure transportation from its location (a controlled zone) up to a definitive storage place capable of supporting its posterior confinement. (Author) [es

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

Water chemistry and corrosion control of cladding and primary circuit components. Proceedings of a technical committee meeting

International Nuclear Information System (INIS)

1999-12-01

Corrosion is the principal life limiting degradation mechanism in nuclear steam supply systems, especially taking into account the trends to increase fuel burnup, thermal rate and cycle length. Primary circuit components of water cooled power reactors have an impact on Zr-based alloys behaviour due to crud (primary circuit corrosion products) formation, transport and deposition on heat transfer surfaces. Crud deposits influence water chemistry, radiation and thermal hydraulic conditions near cladding surface, and by this way-Zr-based alloy corrosion. During the last decade, significant improvements were achieved in the reduction of the corrosion and dose rates by changing the cladding material for one more resistant to corrosion or by the improvement of water chemistry conditions. However, taking into account the above mentioned tendency for heavier fuel duties, corrosion and water chemistry, control will remain a serious task to work with for nuclear power plant operators and scientists, as well as development of generally accepted corrosion model of Zr-based alloys in a water environment in a new millennium. Upon the recommendation of the International Working Group on Water Reactor Fuel Performance and Technology, water chemistry and corrosion of cladding and primary circuit components are in the focus of the IAEA activities in the area of fuel technology and performance. At present the IAEA performs two co-ordinated research projects (CRPs): on On-line High Temperature Monitoring of Water Chemistry and Corrosion (WACOL) and on Activity Transport in Primary Circuits. Two CRPs deal with hydrogen and hydride degradation of the Zr-based alloys. A state-of-the-art review entitled: 'Waterside Corrosion of Zirconium Alloys in Nuclear Power Plants' was published in 1998. Technical Committee meetings on the subject were held in 1985 (Cadarache, France), 1989 (Portland, USA), 1993 (Rez, Czech Republic). During the last few years extensive exchange of experience in

A numerical study for global atmospheric transport-chemistry problems

NARCIS (Netherlands)

E.J. Spee (Edwin); J.G. Verwer (Jan); P.M. de Zeeuw (Paul); J.G. Blom (Joke); W. Hundsdorfer (Willem)

1998-01-01

htmlabstractAtmospheric air quality modeling relies in part on numerical simulation. Required numerical simulations are often hampered by lack of computer capacity and computational speed. This problem is most severe in the field of global modeling where transport and exchange of trace constituents

A numerical study for global atmospheric transport-chemistry problems

NARCIS (Netherlands)

E.J. Spee (Edwin); J.G. Verwer (Jan); P.M. de Zeeuw (Paul); J.G. Blom (Joke); W. Hundsdorfer (Willem)

1997-01-01

textabstractAtmospheric air quality modeling relies in part on numerical simulation. Required numerical simulations are often hampered by lack of computer capacity and computational speed. This problem is most severe in the field of global modeling where transport and exchange of trace constituents

VVER operational experience - effect of preconditioning and primary water chemistry on radioactivity build-up

International Nuclear Information System (INIS)

Zmitko, M.; Kysela, J.; Dudjakova, K.; Martykan, M.; Janesik, J.; Hanus, V.; Marcinsky, P.

2004-01-01

The primary coolant technology approaches currently used in VVER units are reviewed and compared with those used in PWR units. Standard and modified water chemistries differing in boron-potassium control are discussed. Preparation of the VVER Primary Water Chemistry Guidelines in the Czech Republic is noted. Operational experience of some VVER units, operated in the Czech Republic and Slovakia, in the field of the primary water chemistry, and radioactivity transport and build-up are presented. In Mochovce and Temelin units, a surface preconditioning (passivation) procedure has been applied during hot functional tests. The main principles of the controlled primary water chemistry applied during the hot functional tests are reviewed and importance of the water chemistry, technological and other relevant parameters is stressed regarding to the quality of the passive layer formed on the primary system surfaces. The first operational experience obtained in the course of beginning of these units operation is presented mainly with respect to the corrosion products coolant and surface activities. Effect of the initial passivation performed during hot functional tests and the primary water chemistry on corrosion products radioactivity level and radiation situation is discussed. (author)

Aqueous chemistry of transactinides

International Nuclear Information System (INIS)

Schaedel, M.

2001-01-01

The aqueous chemistry of the first three transactinide elements is briefly reviewed with special emphasis given to recent experimental results. Short introductory remarks are discussing the atom-at-a-time situation of transactinide chemistry as a result of low production cross-sections and short half-lives. In general, on-line experimental techniques and, more specifically, the automated rapid chemistry apparatus, ARCA, are presented. Present and future developments of experimental techniques and resulting perspectives are outlined at the end. The central part is mainly focussing on hydrolysis and complex formation aspects of the superheavy group 4, 5, and 6 transition metals with F - and Cl - anions. Experimental results are compared with the behaviour of lighter homologous elements and with relativistic calculations. It will be shown that the chemical behaviour of the first superheavy elements is already strongly influenced by relativistic effects. While it is justified to place rutherfordium, dubnium and seaborgium in the Periodic Table of the Elements into group 4, 5 and 6, respectively, it is no more possible to deduce from this position in detail the chemical properties of these transactinide or superheavy elements. (orig.)

PWR secondary water chemistry guidelines: Revision 3

International Nuclear Information System (INIS)

Lurie, S.; Bucci, G.; Johnson, L.; King, M.; Lamanna, L.; Morgan, E.; Bates, J.; Burns, R.; Eaker, R.; Ward, G.; Linnenbom, V.; Millet, P.; Paine, J.P.; Wood, C.J.; Gatten, T.; Meatheany, D.; Seager, J.; Thompson, R.; Brobst, G.; Connor, W.; Lewis, G.; Shirmer, R.; Gillen, J.; Kerns, M.; Jones, V.; Lappegaard, S.; Sawochka, S.; Smith, F.; Spires, D.; Pagan, S.; Gardner, J.; Polidoroff, T.; Lambert, S.; Dahl, B.; Hundley, F.; Miller, B.; Andersson, P.; Briden, D.; Fellers, B.; Harvey, S.; Polchow, J.; Rootham, M.; Fredrichs, T.; Flint, W.

1993-05-01

An effective, state-of-the art secondary water chemistry control program is essential to maximize the availability and operating life of major PWR components. Furthermore, the costs related to maintaining secondary water chemistry will likely be less than the repair or replacement of steam generators or large turbine rotors, with resulting outages taken into account. The revised PWR secondary water chemistry guidelines in this report represent the latest field and laboratory data on steam generator corrosion phenomena. This document supersedes Interim PWR Secondary Water Chemistry Recommendations for IGA/SCC Control (EPRI report TR-101230) as well as PWR Secondary Water Chemistry Guidelines--Revision 2 (NP-6239)

Polaronic transport in polysilanes

Czech Academy of Sciences Publication Activity Database

Nešpůrek, Stanislav; Nožár, Juraj; Kadashchuk, A.; Fishchuk, I. I.

2009-01-01

Roč. 193, č. 1 (2009), s. 1-4 ISSN 1742-6588. [International Conference on Electron Dynamics in Semiconductors, Optoelectronics and Nanostructures /16./. Montpellier, 24.08.2009-28.08.2009] R&D Projects: GA AV ČR IAA100100622; GA AV ČR KAN400720701 Institutional research plan: CEZ:AV0Z40500505 Keywords : polaronic transport * polysilanes * charge carrier mobility Subject RIV: CD - Macromolecular Chemistry

Impact of a future H2-based road transportation sector on the composition and chemistry of the atmosphere - Part 2: Stratospheric ozone

Science.gov (United States)

Wang, D.; Jia, W.; Olsen, S. C.; Wuebbles, D. J.; Dubey, M. K.; Rockett, A. A.

2013-07-01

The prospective future adoption of molecular hydrogen (H2) to power the road transportation sector could greatly improve tropospheric air quality but also raises the question of whether the adoption would have adverse effects on the stratospheric ozone. The possibility of undesirable impacts must be fully evaluated to guide future policy decisions. Here we evaluate the possible impact of a future (2050) H2-based road transportation sector on stratospheric composition and chemistry, especially on the stratospheric ozone, with the MOZART (Model for OZone And Related chemical Tracers) model. Since future growth is highly uncertain, we evaluate the impact of two world evolution scenarios, one based on an IPCC (Intergovernmental Panel on Climate Change) high-emitting scenario (A1FI) and the other on an IPCC low-emitting scenario (B1), as well as two technological options: H2 fuel cells and H2 internal combustion engines. We assume a H2 leakage rate of 2.5% and a complete market penetration of H2 vehicles in 2050. The model simulations show that a H2-based road transportation sector would reduce stratospheric ozone concentrations as a result of perturbed catalytic ozone destruction cycles. The magnitude of the impact depends on which growth scenario evolves and which H2 technology option is applied. For the evolution growth scenario, stratospheric ozone decreases more in the H2 fuel cell scenarios than in the H2 internal combustion engine scenarios because of the NOx emissions in the latter case. If the same technological option is applied, the impact is larger in the A1FI emission scenario. The largest impact, a 0.54% decrease in annual average global mean stratospheric column ozone, is found with a H2 fuel cell type road transportation sector in the A1FI scenario; whereas the smallest impact, a 0.04% increase in stratospheric ozone, is found with applications of H2 internal combustion engine vehicles in the B1 scenario. The impacts of the other two scenarios fall

On-line water chemistry monitoring for corrosion prevention in ageing nuclear power plants

International Nuclear Information System (INIS)

Aaltonen, P.; Jaernstroem, R.; Kvarnstroem, R.; Chanfreau, E.

1991-01-01

General corrosion and consequently radiation buildup in nuclear power plants are controlled by the selection of material and the chemical environment. In power plants useful information concerning the kinetics of chemical reactions can be obtained by using high temperature, high pressure measurements for pH, conductivity and electrochemical potentials (ECP) of construction materials or redox-potential. The rates of general or uniform corrosion of materials in contact with the primary coolant are quite low and do not compromise the integrity of the primary circuit. Chemistry control should be applied in the first hand to minimize the dissolution and the transport and subsequent deposition of activated corrosion products to out-of-core regions. A computerized monitoring system for high temperature high pressure pH and electrochemical potential (ECP) has been in continuous use at the Loviisa power plant since 1988. Special emphasis has been put on learning the effect of pH and ECP control during cooldown process in order to further reduce background radiation buildup. During the shutdown for refueling outage in summer 1989 the high temperature water chemistry parameters were monitored. In addition to the high temperature water chemistry parameters concentrations of dissolved corrosion products as well as the activities of the corrosion products were measured. In this paper the results obtained through simultaneous monitoring of water chemistry parameters and concentrations of dissolved corrosion products as well as the activity measurements are presented and discussed. (author)

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.

Interactions with selected drug renal transporters and transporter-mediated cytotoxicity in antiviral agents from the group of acyclic nucleoside phosphonates

Czech Academy of Sciences Publication Activity Database

Mandíková, J.; Volková, M.; Pávek, P.; Česnek, Michal; Janeba, Zlatko; Kubíček, V.; Trejtnar, F.

2013-01-01

Roč. 311, č. 3 (2013), s. 135-146 ISSN 0300-483X Institutional support: RVO:61388963 Keywords : hOAT1 * hCNTs * MDR1 * BCRP * nephrotoxicity * transmembrane transport Subject RIV: FR - Pharmacology ; Medidal Chemistry Impact factor: 3.745, year: 2013

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.)

Workshop on spent fuel performance, radionuclide chemistry and geosphere transport parameters, Lidingoe 2008: Overview and evaluation of recent SKB procedures

International Nuclear Information System (INIS)

Meinrath, Guenther; Stenhouse, Mike; Brown, Paul; Ekberg, Christian; Jegou, Christophe; Nitsche, Heino

2009-08-01

The safety assessment for disposal of spent nuclear fuel canister in the Swedish bedrock should thoroughly address the time period after a containment failure. Such a failure could be expected as a result of corrosion damage or mechanical failure due to rock movement. This report mainly covers some issues connected to parameters used for radionuclide transport calculations in the areas of spent fuel performance (for fuel in contact with groundwater), radionuclide chemistry, and sorption and geosphere transport parameters. Some examples of topics that are elaborated in some detail include statistical treatment of measurement data (for sorption measurements), handling of uncertainties in speciation calculations, use of triangular distributions in safety assessment and physical processes in connection with spent fuel aging. The results emerged from discussions among international experts at a workshop in May 2008. The purpose of this work is providing an overview of ongoing work within the Swedish Nuclear Fuel and Waste Management Co. (SKB), to provide ideas and suggestions for methodology development and to develop review capability within the SSM. The authors conclude that SKB's treatment of uncertainty in speciation calculations has improved, but that additional efforts in the area of error propagation are recommended. In efforts to condense the scope of utilised thermodynamic databases, the authors recommend that exclusion criteria should be explicitly stated. In the area of sorption, there is a need for more thorough analysis of errors in order to establish uncertainty ranges. The most essential improvements concern dose-limiting nuclides (e.g. Ra-226). Triangular distributions are often featured in SKB safety assessment, but it is not clear that the use of such distributions is based on a firm understanding of its properties. Regarding fuel performance, while safety assessment parameters are supported by measurement data there is still a need for better

Workshop on spent fuel performance, radionuclide chemistry and geosphere transport parameters, Lidingoe 2008: Overview and evaluation of recent SKB procedures

Energy Technology Data Exchange (ETDEWEB)

Meinrath, Guenther; Stenhouse, Mike; Brown, Paul; Ekberg, Christian; Jegou, Christophe; Nitsche, Heino

2009-08-15

The safety assessment for disposal of spent nuclear fuel canister in the Swedish bedrock should thoroughly address the time period after a containment failure. Such a failure could be expected as a result of corrosion damage or mechanical failure due to rock movement. This report mainly covers some issues connected to parameters used for radionuclide transport calculations in the areas of spent fuel performance (for fuel in contact with groundwater), radionuclide chemistry, and sorption and geosphere transport parameters. Some examples of topics that are elaborated in some detail include statistical treatment of measurement data (for sorption measurements), handling of uncertainties in speciation calculations, use of triangular distributions in safety assessment and physical processes in connection with spent fuel aging. The results emerged from discussions among international experts at a workshop in May 2008. The purpose of this work is providing an overview of ongoing work within the Swedish Nuclear Fuel and Waste Management Co. (SKB), to provide ideas and suggestions for methodology development and to develop review capability within the SSM. The authors conclude that SKB's treatment of uncertainty in speciation calculations has improved, but that additional efforts in the area of error propagation are recommended. In efforts to condense the scope of utilised thermodynamic databases, the authors recommend that exclusion criteria should be explicitly stated. In the area of sorption, there is a need for more thorough analysis of errors in order to establish uncertainty ranges. The most essential improvements concern dose-limiting nuclides (e.g. Ra-226). Triangular distributions are often featured in SKB safety assessment, but it is not clear that the use of such distributions is based on a firm understanding of its properties. Regarding fuel performance, while safety assessment parameters are supported by measurement data there is still a need for better

Identification of atmospheric mercury sources and transport pathways on local and regional sales

Science.gov (United States)

Gratz, Lynne E.

Mercury (Hg) is a hazardous air pollutant and bioaccumulative neurotoxin whose intricate atmospheric chemistry complicates our ability to define Hg source-receptor relationships on all scales. Our detailed measurements of Hg in its different forms together with atmospheric tracers have improved our understanding of Hg chemistry and transport. Daily-event precipitation samples collected from 1995 to 2006 in Underhill, VT were examined to identify Hg wet deposition trends and source influences. Analysis revealed that annual Hg deposition at this fairly remote location did not vary significantly over the 12-year period. While a decreasing trend in volume-weighted mean Hg concentration was observed, Hg wet deposition did not decline as transport of emissions from the Midwest and along the Atlantic Coast consistently contributed to the largest observed Hg wet deposition events. Receptor modeling of Hg and trace elements in precipitation indicated that ---60% of Hg wet deposition at Underhill could be attributed to emissions from coal-fired utility boilers (CFUBs), and their contribution to Hg wet deposition did not change significantly over time. Hybrid-receptor modeling further defined these CFUBs to be located predominantly in the Midwestern U.S. Atmospheric Hg chemistry and transport from the Chicago urban/industrial area was the focus of speciated Hg measurements performed in the southern Lake Michigan basin during summer 2007. Transport from Chicago, IL to Holland, MI occurred during 27% of the study period, resulting in a five-fold increase in divalent reactive gaseous Hg (RGM) at the downwind Holland site. Dispersion modeling of case study periods demonstrated that under southwesterly flow approximately half of the RGM in Holland could be attributed to primary RGM emissions from Chicago after transport and dispersion, with the remainder due to Hg0 oxidation in the atmosphere en route. Precipitation and ambient vapor phase samples were also collected in Chicago

Presentation of the EURODELTA III intercomparison exercise - evaluation of the chemistry transport models' performance on criteria pollutants and joint analysis with meteorology

Science.gov (United States)

Bessagnet, Bertrand; Pirovano, Guido; Mircea, Mihaela; Cuvelier, Cornelius; Aulinger, Armin; Calori, Giuseppe; Ciarelli, Giancarlo; Manders, Astrid; Stern, Rainer; Tsyro, Svetlana; García Vivanco, Marta; Thunis, Philippe; Pay, Maria-Teresa; Colette, Augustin; Couvidat, Florian; Meleux, Frédérik; Rouïl, Laurence; Ung, Anthony; Aksoyoglu, Sebnem; María Baldasano, José; Bieser, Johannes; Briganti, Gino; Cappelletti, Andrea; D'Isidoro, Massimo; Finardi, Sandro; Kranenburg, Richard; Silibello, Camillo; Carnevale, Claudio; Aas, Wenche; Dupont, Jean-Charles; Fagerli, Hilde; Gonzalez, Lucia; Menut, Laurent; Prévôt, André S. H.; Roberts, Pete; White, Les

2016-10-01

The EURODELTA III exercise has facilitated a comprehensive intercomparison and evaluation of chemistry transport model performances. Participating models performed calculations for four 1-month periods in different seasons in the years 2006 to 2009, allowing the influence of different meteorological conditions on model performances to be evaluated. The exercise was performed with strict requirements for the input data, with few exceptions. As a consequence, most of differences in the outputs will be attributed to the differences in model formulations of chemical and physical processes. The models were evaluated mainly for background rural stations in Europe. The performance was assessed in terms of bias, root mean square error and correlation with respect to the concentrations of air pollutants (NO2, O3, SO2, PM10 and PM2.5), as well as key meteorological variables. Though most of meteorological parameters were prescribed, some variables like the planetary boundary layer (PBL) height and the vertical diffusion coefficient were derived in the model preprocessors and can partly explain the spread in model results. In general, the daytime PBL height is underestimated by all models. The largest variability of predicted PBL is observed over the ocean and seas. For ozone, this study shows the importance of proper boundary conditions for accurate model calculations and then on the regime of the gas and particle chemistry. The models show similar and quite good performance for nitrogen dioxide, whereas they struggle to accurately reproduce measured sulfur dioxide concentrations (for which the agreement with observations is the poorest). In general, the models provide a close-to-observations map of particulate matter (PM2.5 and PM10) concentrations over Europe rather with correlations in the range 0.4-0.7 and a systematic underestimation reaching -10 µg m-3 for PM10. The highest concentrations are much more underestimated, particularly in wintertime. Further evaluation of

Charge Migration in DNA Perspectives from Physics, Chemistry, and Biology

CERN Document Server

Chakraborty, Tapash

2007-01-01

Charge migration through DNA has been the focus of considerable interest in recent years. A deeper understanding of the nature of charge transfer and transport along the double helix is important in fields as diverse as physics, chemistry and nanotechnology. It has also important implications in biology, in particular in DNA damage and repair. This book presents contributions from an international team of researchers active in this field. It contains a wide range of topics that includes the mathematical background of the quantum processes involved, the role of charge transfer in DNA radiation damage, a new approach to DNA sequencing, DNA photonics, and many others. This book should be of value to researchers in condensed matter physics, chemical physics, physical chemistry, and nanoscale sciences.

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

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

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.

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)

Effectiveness of Case-Based Learning Instruction on Pre-Service Teachers' Chemistry Motivation and Attitudes toward Chemistry

Science.gov (United States)

Çam, Aylin; Geban, Ömer

2017-01-01

Background: The development of primary pre-service teachers' chemistry motivation and attitudes toward chemistry were examined in order to develop their science literacy using case-based learning. Students' ideas were emphasized, real-life situations were discussed, and students could share their ideas and knowledge with peers; as a result,…

Using Computational Chemistry Activities to Promote Learning and Retention in a Secondary School General Chemistry Setting

Science.gov (United States)

Ochterski, Joseph W.

2014-01-01

This article describes the results of using state-of-the-art, research-quality software as a learning tool in a general chemistry secondary school classroom setting. I present three activities designed to introduce fundamental chemical concepts regarding molecular shape and atomic orbitals to students with little background in chemistry, such as…

Fine chemistry

International Nuclear Information System (INIS)

Laszlo, P.

1988-01-01

The 1988 progress report of the Fine Chemistry laboratory (Polytechnic School, France) is presented. The research programs are centered on the renewal of the organic chemistry most important reactions and on the invention of new, highly efficient and highly selective reactions, by applying low cost reagents and solvents. An important research domain concerns the study and fabrication of new catalysts. They are obtained by means of the reactive sputtering of the metals and metal oxydes thin films. The Monte Carlo simulations of the long-range electrostatic interaction in a clay and the obtention of acrylamides from anhydrous or acrylic ester are summarized. Moreover, the results obtained in the field of catalysis are also given. The published papers and the congress communications are included [fr

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)

HMI Department of Nuclear Chemistry and Reactor. Scientific report 1984

International Nuclear Information System (INIS)

1985-01-01

The report gives an account of ongoing R and D work in the following fields: 1) Neutron scattering (method development, crystallography); 2) Damage to solids due to radiation (i.a. reactions to failure, atom transport, changes in material properties); 3) Reactor chemistry (solidification products far radioactive wastes; gas/graphite reactions within the first wall of a fusion reactor); 4) Biomedical trace element research (transport and storage of bioelements, trace element analytics); 5) Geochemical reservoir exploration technique (distribution of elements, complexing etc.); 6) Reactor operation, utilization and possible extensions. Furthermore, a survey is given on publications and lectures as well as on correlations with other fields of research. (RB) [de

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)

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

Effects of airplane emissions on the composition of the atmosphere: Investigations using a mesoscale chemical transport model; Der Einfluss von Flugzeugabgasen auf die Zusammensetzung der Atmosphaere: Untersuchungen mit einem mesoskaligen Chemie-Transport-Modell

Energy Technology Data Exchange (ETDEWEB)

Lippert, E

1997-12-31

In the present work the impact of aircraft emissions on the atmospheric composition is studied using a mesoscale chemistry transport model. To simulate the impact of aircraft exhausts several modifications on the EURAD model system have been performed. The upper boundary of the model has been extended from 100 hPa up to 10 hPa. The vertical resolution of the model has been refined especially in tropopause altitudes extending the number of model layers from 15 to 29. Additionally the initialization and the treatment of the boundary conditions has been improved by coupling the trace gas concentration fields with the individual meteorological situation. To guarantee an adequate representation of the atmospheric chemistry the chemical mechanism CHEST has been developed and implemented into the chemistry transport model. CHEST treats the most important chemical processes of the troposphere and lower stratosphere. In the frame of the present work sensitivity studies with a box model and with the threedimensional chemistry transport model have been performed to investigate the impact of aircraft emissions upon the atmosphere. (KW) [Deutsch] In der vorliegenden Arbeit werden die Auswirkungen der Flugzeugemissionen auf die Zusammensetzung der Atmosphaere mit Hilfe eines mesoskaligen Chemie-Transport-Modells untersucht. Zur Simulation der Ausbreitung der Flugzeugabgase wurden am EURAD-Modell-System umfangreiche Veraenderungen vorgenommen. Der obere Modellrand des Chemie-Transport-Modells ist von 100 hPa auf 10 hPa erhoeht worden. Die vertikale Aufloesung des Modells wurde insbesondere im Tropopausenbereich durch eine Erhoehung der Gesamtzahl der Modellschichten von 15 auf 29 wesentlich verfeinert. Ausserdem ist die Initialisierung der Spurenstoffverteilung im Modell an die Dynamik gekoppelt worden. Dem Chemie-Transport-Modell stehen damit an die jeweilige meteorologische Situation angepasste Konzentrationsfelder zur Initialisierung und zur Behandlung der Fluesse durch den

Effects of airplane emissions on the composition of the atmosphere: Investigations using a mesoscale chemical transport model; Der Einfluss von Flugzeugabgasen auf die Zusammensetzung der Atmosphaere: Untersuchungen mit einem mesoskaligen Chemie-Transport-Modell

Energy Technology Data Exchange (ETDEWEB)

Lippert, E.

1996-12-31

In the present work the impact of aircraft emissions on the atmospheric composition is studied using a mesoscale chemistry transport model. To simulate the impact of aircraft exhausts several modifications on the EURAD model system have been performed. The upper boundary of the model has been extended from 100 hPa up to 10 hPa. The vertical resolution of the model has been refined especially in tropopause altitudes extending the number of model layers from 15 to 29. Additionally the initialization and the treatment of the boundary conditions has been improved by coupling the trace gas concentration fields with the individual meteorological situation. To guarantee an adequate representation of the atmospheric chemistry the chemical mechanism CHEST has been developed and implemented into the chemistry transport model. CHEST treats the most important chemical processes of the troposphere and lower stratosphere. In the frame of the present work sensitivity studies with a box model and with the threedimensional chemistry transport model have been performed to investigate the impact of aircraft emissions upon the atmosphere. (KW) [Deutsch] In der vorliegenden Arbeit werden die Auswirkungen der Flugzeugemissionen auf die Zusammensetzung der Atmosphaere mit Hilfe eines mesoskaligen Chemie-Transport-Modells untersucht. Zur Simulation der Ausbreitung der Flugzeugabgase wurden am EURAD-Modell-System umfangreiche Veraenderungen vorgenommen. Der obere Modellrand des Chemie-Transport-Modells ist von 100 hPa auf 10 hPa erhoeht worden. Die vertikale Aufloesung des Modells wurde insbesondere im Tropopausenbereich durch eine Erhoehung der Gesamtzahl der Modellschichten von 15 auf 29 wesentlich verfeinert. Ausserdem ist die Initialisierung der Spurenstoffverteilung im Modell an die Dynamik gekoppelt worden. Dem Chemie-Transport-Modell stehen damit an die jeweilige meteorologische Situation angepasste Konzentrationsfelder zur Initialisierung und zur Behandlung der Fluesse durch den

Corrosion-product transport, oxidation state and remedial measures

International Nuclear Information System (INIS)

Sawicki, J.A.; Brett, M.E.; Tapping, R.L.

1998-10-01

The issues associated with monitoring and controlling corrosion-product transport (CPT) in the balance-of-plant (BOP) and steam generators (SG) of CANDU stations are briefly reviewed. Efforts are focused on minimizing corrosion of carbon steel, which is used extensively in the CANDU primary and secondary systems. Emphasis is placed on the corrosion-product oxidation state as a monitor of water chemistry effectiveness and as a monitor of system corrosion effects. The discussion is based mostly on the results of observations from Ontario Hydro plants, and their comparisons with pressurized-water reactors. The effects of low oxygen and elevated hydrazine chemistry are reviewed, as well as the effects of layup and various startup conditions. Progress in monitoring electrochemical potential (ECP) at Ontario Hydro plants and its relationship to the oxidation state of corrosion products is reviewed. Observations on CPT on the primary side of SGs are also discussed. (author)

Representation of tropical deep convection in atmospheric models – Part 2: Tracer transport

Directory of Open Access Journals (Sweden)

C. R. Hoyle

2011-08-01

Full Text Available The tropical transport processes of 14 different models or model versions were compared, within the framework of the SCOUT-O3 (Stratospheric-Climate Links with Emphasis on the Upper Troposphere and Lower Stratosphere project. The tested models range from the regional to the global scale, and include numerical weather prediction (NWP, chemical transport, and chemistry-climate models. Idealised tracers were used in order to prevent the model's chemistry schemes from influencing the results substantially, so that the effects of modelled transport could be isolated. We find large differences in the vertical transport of very short-lived tracers (with a lifetime of 6 h within the tropical troposphere. Peak convective outflow altitudes range from around 300 hPa to almost 100 hPa among the different models, and the upper tropospheric tracer mixing ratios differ by up to an order of magnitude. The timing of convective events is found to be different between the models, even among those which source their forcing data from the same NWP model (ECMWF. The differences are less pronounced for longer lived tracers, however they could have implications for modelling the halogen burden of the lowermost stratosphere through transport of species such as bromoform, or short-lived hydrocarbons into the lowermost stratosphere. The modelled tracer profiles are strongly influenced by the convective transport parameterisations, and different boundary layer mixing parameterisations also have a large impact on the modelled tracer profiles. Preferential locations for rapid transport from the surface into the upper troposphere are similar in all models, and are mostly concentrated over the western Pacific, the Maritime Continent and the Indian Ocean. In contrast, models do not indicate that upward transport is highest over western Africa.

Activity transport models for PWR primary circuits; PWR-ydinvoimalaitoksen primaeaeripiirin aktiivisuuskulkeutumismallit

Energy Technology Data Exchange (ETDEWEB)

Tanner, V; Rosenberg, R [VTT Chemical Technology, Otaniemi (Finland)

1995-03-01

The corrosion products activated in the primary circuit form a major source of occupational radiation dose in the PWR reactors. Transport of corrosion activity is a complex process including chemistry, reactor physics, thermodynamics and hydrodynamics. All the mechanisms involved are not known and there is no comprehensive theory for the process, so experimental test loops and plant data are very important in research efforts. Several activity transport modelling attempts have been made to improve the water chemistry control and to minimise corrosion in PWR`s. In this research report some of these models are reviewed with special emphasis on models designed for Soviet VVER type reactors. (51 refs., 16 figs., 4 tabs.).

Scientific basis for the choice of primary/secondary water chemistry

International Nuclear Information System (INIS)

Garnsey, R.

1988-01-01

The purpose of this paper is to illustrate the common scientific basis for the chemistry control strategies which have been developed. The evolution of chemistry control philosophies in some plant designs are outlined as examples. The essential requirement of water chemistry control is to preserve integrity of the circuit under all the environmental conditions experienced within that circuit. There may be specific additional requirements, as in the case of a PWR primary circuit, where boron concentration is used to control reactivity. The crucial requirement or concern can vary. In the primary circuit of a light water reactor the crucial requirement is to supress the activation and transportation of corrosion products and so minimize radiation fields around the circuit. On the secondary side of recirculating steam generators the critical requirement has been to preserve the integrity of generator tubing. In once-through steam generators the critical requirement may be the control of pressure losses associated with corrosion product deposits in the steam generator and the integrity of the turbine in addition to boiler integrity. (Nogami, K.)

Effects of different centrifugation conditions on clinical chemistry and Immunology test results.

Science.gov (United States)

Minder, Elisabeth I; Schibli, Adrian; Mahrer, Dagmar; Nesic, Predrag; Plüer, Kathrin

2011-05-10

The effect of centrifugation time of heparinized blood samples on clinical chemistry and immunology results has rarely been studied. WHO guideline proposed a 15 min centrifugation time without citing any scientific publications. The centrifugation time has a considerable impact on the turn-around-time. We investigated 74 parameters in samples from 44 patients on a Roche Cobas 6000 system, to see whether there was a statistical significant difference in the test results among specimens centrifuged at 2180 g for 15 min, at 2180 g for 10 min or at 1870 g for 7 min, respectively. Two tubes with different plasma separators (both Greiner Bio-One) were used for each centrifugation condition. Statistical comparisons were made by Deming fit. Tubes with different separators showed identical results in all parameters. Likewise, excellent correlations were found among tubes to which different centrifugation conditions were applied. Fifty percent of the slopes lay between 0.99 and 1.01. Only 3.6 percent of the statistical tests results fell outside the significance level of p < 0.05, which was less than the expected 5%. This suggests that the outliers are the result of random variation and the large number of statistical tests performed. Further, we found that our data are sufficient not to miss a biased test (beta error) with a probability of 0.10 to 0.05 in most parameters. A centrifugation time of either 7 or 10 min provided identical test results compared to the time of 15 min as proposed by WHO under the conditions used in our study.

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.

Alcohol combustion chemistry

KAUST Repository

Sarathy, Mani

2014-10-01

Alternative transportation fuels, preferably from renewable sources, include alcohols with up to five or even more carbon atoms. They are considered promising because they can be derived from biological matter via established and new processes. In addition, many of their physical-chemical properties are compatible with the requirements of modern engines, which make them attractive either as replacements for fossil fuels or as fuel additives. Indeed, alcohol fuels have been used since the early years of automobile production, particularly in Brazil, where ethanol has a long history of use as an automobile fuel. Recently, increasing attention has been paid to the use of non-petroleum-based fuels made from biological sources, including alcohols (predominantly ethanol), as important liquid biofuels. Today, the ethanol fuel that is offered in the market is mainly made from sugar cane or corn. Its production as a first-generation biofuel, especially in North America, has been associated with publicly discussed drawbacks, such as reduction in the food supply, need for fertilization, extensive water usage, and other ecological concerns. More environmentally friendly processes are being considered to produce alcohols from inedible plants or plant parts on wasteland. While biofuel production and its use (especially ethanol and biodiesel) in internal combustion engines have been the focus of several recent reviews, a dedicated overview and summary of research on alcohol combustion chemistry is still lacking. Besides ethanol, many linear and branched members of the alcohol family, from methanol to hexanols, have been studied, with a particular emphasis on butanols. These fuels and their combustion properties, including their ignition, flame propagation, and extinction characteristics, their pyrolysis and oxidation reactions, and their potential to produce pollutant emissions have been intensively investigated in dedicated experiments on the laboratory and the engine scale

COLLOID-FACILITATED TRANSPORT OF RADIONUCLIDES THROUGH THE VADOSE ZONE

International Nuclear Information System (INIS)

Flury, Markus

2003-01-01

Contaminants have leaked into the vadose zone at the USDOE Hanford reservation. It is important to understand the fate and transport of these contaminants to design remediation strategies and long-term waste management plans at the Hanford reservation. Colloids may play an important role in fate and transport of strongly sorbing contaminants, such as Cs or Pu. This project seeks to improve the basic understanding of colloid and colloid-facilitated transport of contaminants in the vadose zone. The specific objectives addressed are: (1) Determine the structure, composition, and surface charge characteristics of colloidal particles formed under conditions similar to those occurring during leakage of waste typical of Hanford tank supernatants into soils and sediments surrounding the tanks. (2) Characterize the mutual interactions between colloids, contaminant, and soil matrix in batch experiments under various ionic strength and pH conditions. We will investigate the nature of the solid-liquid interactions and the kinetics of the reactions. (3) Evaluate mobility of colloids through soil under different degrees of water saturation and solution chemistry (ionic strength and pH). (4) Determine the potential of colloids to act as carriers to transport the contaminant through the vadose zone and verify the results through comparison with field samples collected under leaking tanks. (5) Improve conceptual characterization of colloid-contaminant-soil interactions and colloid-facilitated transport for implementation into reactive chemical transport models. This project was in part supported by an NSF-IGERT grant to Washington State University. The IGERT grant provided funding for graduate student research and education, and two graduate students were involved in the EMSP project. The IGERT program also supported undergraduate internships. The project is part of a larger EMSP program to study fate and transport of contaminants under leaking Hanford waste tanks. The project has

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.

Hot functional test chemistry - long term experience

International Nuclear Information System (INIS)

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

2010-01-01

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

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.…

A chemistry and material perspective on lithium redox flow batteries towards high-density electrical energy storage.

Science.gov (United States)

Zhao, Yu; Ding, Yu; Li, Yutao; Peng, Lele; Byon, Hye Ryung; Goodenough, John B; Yu, Guihua

2015-11-21

Electrical energy storage system such as secondary batteries is the principle power source for portable electronics, electric vehicles and stationary energy storage. As an emerging battery technology, Li-redox flow batteries inherit the advantageous features of modular design of conventional redox flow batteries and high voltage and energy efficiency of Li-ion batteries, showing great promise as efficient electrical energy storage system in transportation, commercial, and residential applications. The chemistry of lithium redox flow batteries with aqueous or non-aqueous electrolyte enables widened electrochemical potential window thus may provide much greater energy density and efficiency than conventional redox flow batteries based on proton chemistry. This Review summarizes the design rationale, fundamentals and characterization of Li-redox flow batteries from a chemistry and material perspective, with particular emphasis on the new chemistries and materials. The latest advances and associated challenges/opportunities are comprehensively discussed.

BWR chemistry control status: a summary of industry chemistry status relative to the BWR water chemistry guidelines

International Nuclear Information System (INIS)

Garcia, S.E.; Giannelli, J.F.; Jarvis, M.L.

2010-01-01

The EPRI Boiling Water Reactor (BWR) Water Chemistry Guidelines were revised and issued in October 2008. The 2008 Revision of the Guidelines continues to focus on intergranular stress corrosion cracking (IGSCC), which can limit the service life of susceptible materials and components exposed to water chemistry environments. The 2008 Revision also places increased emphasis on fuel performance and meeting the industry goal of zero fuel failures by 2010. As an industry consensus document, the Guidelines were created to provide proactive water chemistry control strategies for mitigating IGSCC, maintaining fuel integrity and controlling radiation fields. The Guidelines provide a technically-based framework for an effective BWR water chemistry program. This paper provides an overview of industry experience relative to the Guidelines. Over the past few years, many BWR units have implemented noble metal chemical application technologies either during plant hot or cold shutdown or at normal power operating conditions. This paper explores plant experience with optimized water chemistry, implementation of various additive chemistries such as noble metal application and zinc addition, and compliance with the Guidelines recommendations. Depleted zinc oxide addition has been broadly applied across the BWR fleet since the 1980s. The guidance for zinc addition has been revised in the Guidelines to reflect concerns with fuel performance. While zinc addition is a successful method for shutdown dose rate control, concerns still exist for high zinc deposition on fuel surfaces, especially when feedwater iron is elevated and as fuel cores are being driven to provide maximum power output over longer fuel cycles. Recent plant experience has shown that the utilization of online noble metal application and continued zinc addition may provide additional benefits for radiation control. Dose rate experiences at plants utilizing the online noble metal application technology and zinc addition

BWR chemistry control status: a summary of industry chemistry status relative to the BWR water chemistry guidelines

Energy Technology Data Exchange (ETDEWEB)

Garcia, S.E., E-mail: sgarcia@epri.com [Electric Power Research Inst. (EPRI), Palo Alto, California (United States); Giannelli, J.F.; Jarvis, M.L., E-mail: jgiannelli@finetech.com [Finetech, Inc., Parsippany, NJ (United States)

2010-07-01

The EPRI Boiling Water Reactor (BWR) Water Chemistry Guidelines were revised and issued in October 2008. The 2008 Revision of the Guidelines continues to focus on intergranular stress corrosion cracking (IGSCC), which can limit the service life of susceptible materials and components exposed to water chemistry environments. The 2008 Revision also places increased emphasis on fuel performance and meeting the industry goal of zero fuel failures by 2010. As an industry consensus document, the Guidelines were created to provide proactive water chemistry control strategies for mitigating IGSCC, maintaining fuel integrity and controlling radiation fields. The Guidelines provide a technically-based framework for an effective BWR water chemistry program. This paper provides an overview of industry experience relative to the Guidelines. Over the past few years, many BWR units have implemented noble metal chemical application technologies either during plant hot or cold shutdown or at normal power operating conditions. This paper explores plant experience with optimized water chemistry, implementation of various additive chemistries such as noble metal application and zinc addition, and compliance with the Guidelines recommendations. Depleted zinc oxide addition has been broadly applied across the BWR fleet since the 1980s. The guidance for zinc addition has been revised in the Guidelines to reflect concerns with fuel performance. While zinc addition is a successful method for shutdown dose rate control, concerns still exist for high zinc deposition on fuel surfaces, especially when feedwater iron is elevated and as fuel cores are being driven to provide maximum power output over longer fuel cycles. Recent plant experience has shown that the utilization of online noble metal application and continued zinc addition may provide additional benefits for radiation control. Dose rate experiences at plants utilizing the online noble metal application technology and zinc addition

The integration of the contents of the subject Physics-Chemistry (I in Biology-Chemistry specialty

Directory of Open Access Journals (Sweden)

M. Sc. Luis AZCUY LORENZ

2017-12-01

Full Text Available This work is the result of a research task developed in the Natural Sciences Education Department during 2013-2014 academic year, and it emerged from the necessity of solving some insufficiencies in the use of the real potentialities offered by the content of the subject Physics-Chemistry (I, that is part of the curriculum of the Biology-Chemistry career. Its main objective is to offer a set of exercises to contribute to achieve the integration of contents from the subject Physics-chemistry (I in the mentioned career at «Ignacio Agramonte Loynaz» University of Camaguey. The exercises proposed are characterized for being related to the real practice and to other subjects of the career. Their implementation through review lessons, partial tests and final evaluations during the formative experiment made possible a better academic result in the learners overall performance.

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)

The reactive transport benchmark proposed by GdR MoMaS: presentation and first results

Energy Technology Data Exchange (ETDEWEB)

Carrayrou, J. [Institut de Mecanique des Fluides et des Solides, UMR ULP-CNRS 7507, 67 - Strasbourg (France); Lagneau, V. [Ecole des Mines de Paris, Centre de Geosciences, 77 - Fontainebleau (France)

2007-07-01

We present here the actual context of reactive transport modelling and the major numerical challenges. GdR MoMaS proposes a benchmark on reactive transport. We present this benchmark and some results obtained on it by two reactive transport codes HYTEC and SPECY. (authors)

The reactive transport benchmark proposed by GdR MoMaS: presentation and first results

International Nuclear Information System (INIS)

Carrayrou, J.; Lagneau, V.

2007-01-01

We present here the actual context of reactive transport modelling and the major numerical challenges. GdR MoMaS proposes a benchmark on reactive transport. We present this benchmark and some results obtained on it by two reactive transport codes HYTEC and SPECY. (authors)

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.)

Organic chemistry

International Nuclear Information System (INIS)

2003-08-01

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

Preparative radiation chemistry

International Nuclear Information System (INIS)

Drawe, H.

1978-01-01

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

Steady-state transport equation resolution by particle methods, and numerical results

International Nuclear Information System (INIS)

Mercier, B.

1985-10-01

A method to solve steady-state transport equation has been given. Principles of the method are given. The method is studied in two different cases; estimations given by the theory are compared to numerical results. Results got in 1-D (spherical geometry) and in 2-D (axisymmetric geometry) are given [fr

Correlating labeling chemistry and in-vitro test results with the biological behavior of radiolabeled proteins

International Nuclear Information System (INIS)

Srivastava, S.C.; Meinken, G.E.

1985-01-01

Monoclonal antibodies possess enormous potential for delivery of therapeutic amounts of radionuclides to target antigens in vivo, in particular for tumor imaging and therapy. Translation of this concept into practice has encountered numerous problems. Specifically whereas general protein radiolabeling methods are applicable to antibodies, immunological properties of the antibodies are often compromised resulting in reduced in-vivo specificity for the target antigens. The bifunctional chelating agent approach shows the most promise, however, development of other agents will be necessary for widespread usefulness of this technique. The effects of labeling chemistry on the in-vivo behavior of several monoclonal antibodies are described. 30 refs., 4 figs., 10 tabs

The Importance of Protons in Reactive Transport Modeling

Science.gov (United States)

McNeece, C. J.; Hesse, M. A.

2014-12-01

The importance of pH in aqueous chemistry is evident; yet, its role in reactive transport is complex. Consider a column flow experiment through silica glass beads. Take the column to be saturated and flowing with solution of a distinct pH. An instantaneous change in the influent solution pH can yield a breakthrough curve with both a rarefaction and shock component (composite wave). This behavior is unique among aqueous ions in transport and is more complex than intuition would tell. Analysis of the hyperbolic limit of this physical system can explain these first order transport phenomenon. This analysis shows that transport behavior is heavily dependent on the shape of the adsorption isotherm. Hence it is clear that accurate surface chemistry models are important in reactive transport. The proton adsorption isotherm has nonconstant concavity due to the proton's ability to partition into hydroxide. An eigenvalue analysis shows that an inflection point in the adsorption isotherm allows the development of composite waves. We use electrostatic surface complexation models to calculate realistic proton adsorption isotherms. Surface characteristics such as specific surface area, and surface site density were determined experimentally. We validate the model by comparison against silica glass bead flow through experiments. When coupled to surface complexation models, the transport equation captures the timing and behavior of breakthrough curves markedly better than with commonly used Langmuir assumptions. Furthermore, we use the adsorption isotherm to predict, a priori, the transport behavior of protons across pH composition space. Expansion of the model to multicomponent systems shows that proton adsorption can force composite waves to develop in the breakthrough curves of ions that would not otherwise exhibit such behavior. Given the abundance of reactive surfaces in nature and the nonlinearity of chemical systems, we conclude that building a greater understanding of

Impact of a future H2-based road transportation sector on the composition and chemistry of the atmosphere – Part 2: Stratospheric ozone

Directory of Open Access Journals (Sweden)

D. Wang

2013-07-01

Full Text Available The prospective future adoption of molecular hydrogen (H2 to power the road transportation sector could greatly improve tropospheric air quality but also raises the question of whether the adoption would have adverse effects on the stratospheric ozone. The possibility of undesirable impacts must be fully evaluated to guide future policy decisions. Here we evaluate the possible impact of a future (2050 H2-based road transportation sector on stratospheric composition and chemistry, especially on the stratospheric ozone, with the MOZART (Model for OZone And Related chemical Tracers model. Since future growth is highly uncertain, we evaluate the impact of two world evolution scenarios, one based on an IPCC (Intergovernmental Panel on Climate Change high-emitting scenario (A1FI and the other on an IPCC low-emitting scenario (B1, as well as two technological options: H2 fuel cells and H2 internal combustion engines. We assume a H2 leakage rate of 2.5% and a complete market penetration of H2 vehicles in 2050. The model simulations show that a H2-based road transportation sector would reduce stratospheric ozone concentrations as a result of perturbed catalytic ozone destruction cycles. The magnitude of the impact depends on which growth scenario evolves and which H2 technology option is applied. For the evolution growth scenario, stratospheric ozone decreases more in the H2 fuel cell scenarios than in the H2 internal combustion engine scenarios because of the NOx emissions in the latter case. If the same technological option is applied, the impact is larger in the A1FI emission scenario. The largest impact, a 0.54% decrease in annual average global mean stratospheric column ozone, is found with a H2 fuel cell type road transportation sector in the A1FI scenario; whereas the smallest impact, a 0.04% increase in stratospheric ozone, is found with applications of H2 internal combustion engine vehicles in the B1 scenario. The impacts of the other two

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.

Organics in environmental ices: sources, chemistry, and impacts

Directory of Open Access Journals (Sweden)

V. F. McNeill

2012-10-01

Full Text Available The physical, chemical, and biological processes involving organics in ice in the environment impact a number of atmospheric and biogeochemical cycles. Organic material in snow or ice may be biological in origin, deposited from aerosols or atmospheric gases, or formed chemically in situ. In this manuscript, we review the current state of knowledge regarding the sources, properties, and chemistry of organic materials in environmental ices. Several outstanding questions remain to be resolved and fundamental data gathered before an accurate model of transformations and transport of organic species in the cryosphere will be possible. For example, more information is needed regarding the quantitative impacts of chemical and biological processes, ice morphology, and snow formation on the fate of organic material in cold regions. Interdisciplinary work at the interfaces of chemistry, physics and biology is needed in order to fully characterize the nature and evolution of organics in the cryosphere and predict the effects of climate change on the Earth's carbon cycle.

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.

Presentation of the EURODELTA III intercomparison exercise – evaluation of the chemistry transport models' performance on criteria pollutants and joint analysis with meteorology

Directory of Open Access Journals (Sweden)

B. Bessagnet

2016-10-01

Full Text Available The EURODELTA III exercise has facilitated a comprehensive intercomparison and evaluation of chemistry transport model performances. Participating models performed calculations for four 1-month periods in different seasons in the years 2006 to 2009, allowing the influence of different meteorological conditions on model performances to be evaluated. The exercise was performed with strict requirements for the input data, with few exceptions. As a consequence, most of differences in the outputs will be attributed to the differences in model formulations of chemical and physical processes. The models were evaluated mainly for background rural stations in Europe. The performance was assessed in terms of bias, root mean square error and correlation with respect to the concentrations of air pollutants (NO2, O3, SO2, PM10 and PM2.5, as well as key meteorological variables. Though most of meteorological parameters were prescribed, some variables like the planetary boundary layer (PBL height and the vertical diffusion coefficient were derived in the model preprocessors and can partly explain the spread in model results. In general, the daytime PBL height is underestimated by all models. The largest variability of predicted PBL is observed over the ocean and seas. For ozone, this study shows the importance of proper boundary conditions for accurate model calculations and then on the regime of the gas and particle chemistry. The models show similar and quite good performance for nitrogen dioxide, whereas they struggle to accurately reproduce measured sulfur dioxide concentrations (for which the agreement with observations is the poorest. In general, the models provide a close-to-observations map of particulate matter (PM2.5 and PM10 concentrations over Europe rather with correlations in the range 0.4–0.7 and a systematic underestimation reaching −10 µg m−3 for PM10. The highest concentrations are much more underestimated, particularly in

Supramolecular chemistry: from molecular information towards self-organization and complex matter

International Nuclear Information System (INIS)

Lehn, Jean-Marie

2004-01-01

Molecular chemistry has developed a wide range of very powerful procedures for constructing ever more sophisticated molecules from atoms linked by covalent bonds. Beyond molecular chemistry lies supramolecular chemistry, which aims at developing highly complex chemical systems from components interacting via non-covalent intermolecular forces. By the appropriate manipulation of these interactions, supramolecular chemistry became progressively the chemistry of molecular information, involving the storage of information at the molecular level, in the structural features, and its retrieval, transfer, and processing at the supramolecular level, through molecular recognition processes operating via specific interactional algorithms. This has paved the way towards apprehending chemistry also as an information science. Numerous receptors capable of recognizing, i.e. selectively binding, specific substrates have been developed, based on the molecular information stored in the interacting species. Suitably functionalized receptors may perform supramolecular catalysis and selective transport processes. In combination with polymolecular organization, recognition opens ways towards the design of molecular and supramolecular devices based on functional (photoactive, electroactive, ionoactive, etc) components. A step beyond preorganization consists in the design of systems undergoing self-organization, i.e. systems capable of spontaneously generating well-defined supramolecular architectures by self-assembly from their components. Self-organization processes, directed by the molecular information stored in the components and read out at the supramolecular level through specific interactions, represent the operation of programmed chemical systems. They have been implemented for the generation of a variety of discrete functional architectures of either organic or inorganic nature. Self-organization processes also give access to advanced supramolecular materials, such as

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

Thermal, chemical, and mass transport processes induced in abyssal sediments by the emplacement of nuclear wastes: Experimental and modelling results

International Nuclear Information System (INIS)

McVey, D.F.; Erickson, K.L.; Seyfried, W.E. Jr.

1983-01-01

In this chapter the authors discuss the current status of heat and mass transport studies in the marine red clay sediments that are being considered as a nuclear waste isolation medium and review analytical and experimental studies. Calculations based on numerical models indicate that for a maximum allowable sediment-canister interface temperatures of 200 0 to 250 0 C, the sediment can absorb about 1.5kW initial power from waste buried 30 m in the sediment in a canister that is 3 m long and 0.3 m in diameter. The resulting fluid displacement due to convections is found to be small, less than 1 m. Laboratory studies of the geochemical effects induced by heating sediment-seawater mixtures indicate that the canister and waste form should be designed to resist a hot, relatively acidic oxidizing environment. Since the thermally altered sediment volume of about 5.5 m/sup 3/ is small relative to the sediment volume overlying the canister, the acid and oxidizing conditions should significantly affect the properties of the far field only if thermodiffusional process (Soret effect) prove to be significant. If thermodiffusional effects are important, however, near-field chemistry will differ considerably from that predicted from results of constant temperature sediment-seawater interaction experiments

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…

Impact of aircraft emissions on the atmospheric chemistry

Energy Technology Data Exchange (ETDEWEB)

Dameris, M; Sausen, R; Grewe, V; Koehler, I; Ponater, M [Deutsche Forschungs- und Versuchsanstalt fuer Luft- und Raumfahrt e.V., Oberpfaffenhofen (Germany). Inst. fuer Physik der Atmosphaere; Steil, B [Max-Planck-Inst. fuer Meteorologie, Hamburg (Germany); Bruehl, Ch [Max-Planck-Inst. fuer Chemie (Otto-Hahn-Institut), Mainz (Germany)

1998-12-31

A hierarchy of models of different complexity has been applied to estimate the impact of aircraft NO{sub x} emissions on atmospheric chemistry. The global circulation model ECHAM3 has been coupled with two types of chemistry modules. The first of these describes only a simplified (linear) NO{sub x} and HNO{sub 3} chemistry while the second one is a comprehensive chemistry module (CHEM), describing tropospheric and stratospheric chemistry including photochemical reactions and heterogeneous reactions on sulphate aerosols and PSCs. The module CHEM has been coupled either off-line or with feedback via the ozone concentration. First results of multilayer integrations (over decades) are discussed. (author) 27 refs.

Impact of aircraft emissions on the atmospheric chemistry

Energy Technology Data Exchange (ETDEWEB)

Dameris, M.; Sausen, R.; Grewe, V.; Koehler, I.; Ponater, M. [Deutsche Forschungs- und Versuchsanstalt fuer Luft- und Raumfahrt e.V., Oberpfaffenhofen (Germany). Inst. fuer Physik der Atmosphaere; Steil, B. [Max-Planck-Inst. fuer Meteorologie, Hamburg (Germany); Bruehl, Ch. [Max-Planck-Inst. fuer Chemie (Otto-Hahn-Institut), Mainz (Germany)

1997-12-31

A hierarchy of models of different complexity has been applied to estimate the impact of aircraft NO{sub x} emissions on atmospheric chemistry. The global circulation model ECHAM3 has been coupled with two types of chemistry modules. The first of these describes only a simplified (linear) NO{sub x} and HNO{sub 3} chemistry while the second one is a comprehensive chemistry module (CHEM), describing tropospheric and stratospheric chemistry including photochemical reactions and heterogeneous reactions on sulphate aerosols and PSCs. The module CHEM has been coupled either off-line or with feedback via the ozone concentration. First results of multilayer integrations (over decades) are discussed. (author) 27 refs.

Molecular transport behaviour of organic solvents through halloysite ...

Indian Academy of Sciences (India)

Micro and Nano Materials Laboratory, Department of Chemistry, Institute of Technical ... The transport behaviour of three organic solvents (benzene, toluene and xylene) through halloysite nan- ... ena play important roles in different areas of engineering and ... their blends by an equilibrium swelling method has been.

Quality of dry chemistry testing.

Science.gov (United States)

Nakamura, H; Tatsumi, N

1999-01-01

Since the development of the qualitative test paper for urine in 1950s, several kinds of dry-state-reagents and their automated analyzers have been developed. "Dry chemistry" has become to be called since the report on the development of quantitative test paper for serum bilirubin with reflectometer in the end of 1960s and dry chemistry has been world widely known since the presentation on the development of multilayer film reagent for serum biochemical analytes by Eastman Kodak Co at the 10th IFCC Meeting in the end of 1970s. We have reported test menu, results in external quality assessment, merits and demerits, and the future possibilities of dry chemistry.

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

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

Recent Advances in Atmospheric Chemistry of Mercury

Directory of Open Access Journals (Sweden)

Lin Si

2018-02-01

Full Text Available Mercury is one of the most toxic metals and has global importance due to the biomagnification and bioaccumulation of organomercury via the aquatic food web. The physical and chemical transformations of various mercury species in the atmosphere strongly influence their composition, phase, transport characteristics and deposition rate back to the ground. Modeling efforts to assess global cycling of mercury require an accurate understanding of atmospheric mercury chemistry. Yet, there are several key uncertainties precluding accurate modeling of physical and chemical transformations. We focus this article on recent studies (since 2015 on improving our understanding of the atmospheric chemistry of mercury. We discuss recent advances in determining the dominant atmospheric oxidant of elemental mercury (Hg0 and understanding the oxidation reactions of Hg0 by halogen atoms and by nitrate radical (NO3—in the aqueous reduction of oxidized mercury compounds (HgII as well as in the heterogeneous reactions of Hg on atmospheric-relevant surfaces. The need for future research to improve understanding of the fate and transformation of mercury in the atmosphere is also discussed.

Radiation chemistry and bioradical chemistry

International Nuclear Information System (INIS)

Ferradini, C.

1991-01-01

Oxygen metabolism results, at the cellular level, in the formation of superoxyde radical O 2 - · and probably also of hydroxyl radical OH·. Other radical species can be produced from exogenous or endogenous molecules and nearly all of them have the possibility to react with oxygen giving peroxyradicals. Some of these transients play a role in various biological processes such as phagocytosis, inflammation or ischemy although the mechanisms invoked are poorly understood. Radiation chemistry is an invaluable tool for obtaining a quantitative view of these mechanisms. A description is given of this interaction [fr

Towards "Bildung"-Oriented Chemistry Education

Science.gov (United States)

Sjöström, Jesper

2013-01-01

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

Green Chemistry Metrics with Special Reference to Green Analytical Chemistry

Directory of Open Access Journals (Sweden)

Marek Tobiszewski

2015-06-01

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

Green Chemistry Metrics with Special Reference to Green Analytical Chemistry.

Science.gov (United States)

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

2015-06-12

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

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

Science.gov (United States)

Miller, Tricia

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

The economic impact of poor sample quality in clinical chemistry laboratories: results from a global survey.

Science.gov (United States)

Erdal, Erik P; Mitra, Debanjali; Khangulov, Victor S; Church, Stephen; Plokhoy, Elizabeth

2017-03-01

Background Despite advances in clinical chemistry testing, poor blood sample quality continues to impact laboratory operations and the quality of results. While previous studies have identified the preanalytical causes of lower sample quality, few studies have examined the economic impact of poor sample quality on the laboratory. Specifically, the costs associated with workarounds related to fibrin and gel contaminants remain largely unexplored. Methods A quantitative survey of clinical chemistry laboratory stakeholders across 10 international regions, including countries in North America, Europe and Oceania, was conducted to examine current blood sample testing practices, sample quality issues and practices to remediate poor sample quality. Survey data were used to estimate costs incurred by laboratories to mitigate sample quality issues. Results Responses from 164 participants were included in the analysis, which was focused on three specific issues: fibrin strands, fibrin masses and gel globules. Fibrin strands were the most commonly reported issue, with an overall incidence rate of ∼3%. Further, 65% of respondents indicated that these issues contribute to analyzer probe clogging, and the majority of laboratories had visual inspection and manual remediation practices in place to address fibrin- and gel-related quality problems (55% and 70%, respectively). Probe maintenance/replacement, visual inspection and manual remediation were estimated to carry significant costs for the laboratories surveyed. Annual cost associated with lower sample quality and remediation related to fibrin and/or gel globules for an average US laboratory was estimated to be $100,247. Conclusions Measures to improve blood sample quality present an important step towards improved laboratory operations.

Green Chemistry Pedagogy

Science.gov (United States)

Kolopajlo, Larry

2017-02-01

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

Transuranic Computational Chemistry.

Science.gov (United States)

Kaltsoyannis, Nikolas

2018-02-26

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

Methodological study of the diffusion of interacting cations through clays. Application: experimental tests and simulation of coupled chemistry-diffusion transport of alkaline ions through a synthetical bentonite

International Nuclear Information System (INIS)

Melkior, Th.

2000-01-01

The subject of this work deals with the project of underground disposal of radioactive wastes in deep geological formations. It concerns the study of the migration of radionuclides through clays. In these materials, the main transport mechanism is assumed to be diffusion under natural conditions. Therefore, some diffusion experiments are conducted. With interacting solutes which present a strong affinity for the material, the duration of these tests will be too long, for the range of concentrations of interest. An alternative is to determine on one hand the geochemical retention properties using batch tests and crushed rock samples and, on the other hand, to deduce the transport parameters from diffusion tests realised with a non-interacting tracer, tritiated water. These data are then used to simulate the migration of the reactive elements with a numerical code which can deal with coupled chemistry-diffusion equations. The validity of this approach is tested by comparing the numerical simulations with the results of diffusion experiments of cations through a clay. The subject is investigated in the case of the diffusion of cesium, lithium and sodium through a compacted sodium bentonite. The diffusion tests are realised with the through-diffusion method. The comparison between the experimental results and the simulations shows that the latter tends to under estimate the propagation of the considered species. The differences could be attributed to surface diffusion and to a decrease of the accessibility to the sites of fixation of the bentonite, from the conditions of clay suspensions in batch tests to the situation of compacted samples. The influence of the experimental apparatus used during the diffusion tests on the results of the measurement has also been tested. It showed that these apparatus have to be taken into consideration when the experimental data are interpreted. A specific model has been therefore developed with the numerical code CASTEM 2000. (author)

Designing a Study Abroad Course in Chemistry: Information from Three Different Courses to Europe

Science.gov (United States)

Marine, Susan Sonchik

2013-01-01

Guidelines for planning a study abroad course in chemistry start with defining the course objectives and outcomes. These, in turn, guide the choice of course content and format, location, length of travel, activities, and assessment. Budgetary issues include transportation, lodging, admission fees, activities, docents and guides (including audio…

Nuclear chemistry on the Czech Technical University in Prague after introduction of structured study and foundation of the Centre for Radiochemistry and Radiation Chemistry

International Nuclear Information System (INIS)

John, J.

2007-01-01

In this presentation the author (head of the Centre for Radiochemistry and Radiation Chemistry) give a short review of history of the Department of Nuclear Chemistry and of the Centre for Radiochemistry and Radiation Chemistry of the Czech Technical University in Prague. Education in structured study in specialisation of nuclear chemistry in bachelor level, master level, as well as post-graduate study in nuclear chemistry with academic degree PhD. are realised. Some scientific results are presented

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.

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.

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.

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...

Measuring Transport of Water Across the Peritoneal Membrane

Czech Academy of Sciences Publication Activity Database

Asghar, R. B.; Diskin, A. M.; Španěl, Patrik; Smith, D.; Davies, S. J.

2003-01-01

Roč. 64, - (2003), s. 1911-1915 ISSN 0085-2538 R&D Projects: GA ČR GA202/03/0827 Institutional research plan: CEZ:AV0Z4040901 Keywords : deuterium * total body water * solute transport Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 5.302, year: 2003

The Sensitivity of Arctic Ozone Loss to Polar Stratospheric Cloud Volume and Chlorine and Bromine Loading in a Chemistry and Transport Model

Science.gov (United States)

Douglass, A. R.; Stolarski, R. S.; Strahan, S. E.; Polansky, B. C.

2006-01-01

The sensitivity of Arctic ozone loss to polar stratospheric cloud volume (V(sub PSC)) and chlorine and bromine loading is explored using chemistry and transport models (CTMs). A simulation using multi-decadal output from a general circulation model (GCM) in the Goddard Space Flight Center (GSFC) CTM complements one recycling a single year s GCM output in the Global Modeling Initiative (GMI) CTM. Winter polar ozone loss in the GSFC CTM depends on equivalent effective stratospheric chlorine (EESC) and polar vortex characteristics (temperatures, descent, isolation, polar stratospheric cloud amount). Polar ozone loss in the GMI CTM depends only on changes in EESC as the dynamics repeat annually. The GSFC CTM simulation reproduces a linear relationship between ozone loss and Vpsc derived from observations for 1992 - 2003 which holds for EESC within approx.85% of its maximum (approx.1990 - 2020). The GMI simulation shows that ozone loss varies linearly with EESC for constant, high V(sub PSC).

Integrating Chemical Information Instruction into the Chemistry Curriculum on Borrowed Time: A Multiyear Case Study of a Capstone Research Report for Organic Chemistry

Science.gov (United States)

Jacobs, Danielle L.; Dalal, Heather A.; Dawson, Patricia H.

2016-01-01

To develop information literacy skills in chemistry and biochemistry majors at a primarily undergraduate institution, a multiyear collaboration between chemistry faculty and librarians has resulted in the establishment of a semester-long capstone project for Organic Chemistry II. Information literacy skills were instilled via a progressive…

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)

Green chemistry applied to corrosion and scale inhibitors

Energy Technology Data Exchange (ETDEWEB)

Darling, D.; Rakshpal, R. [Environmental Protection Agency, Washington, DC (United States)

1998-12-31

Numerous breakthroughs in environmental protection and pollution prevention have been realized in recent years by both industry and academia through the application of green chemistry principles. Green chemistry, or pollution prevention at the molecular level, is chemistry designed to reduce or eliminate the use or generation of hazardous materials associated with the manufacture and application of chemicals. The application of the green chemistry principles to the areas of corrosion and scale inhibitors has resulted in the reduction/elimination of many of the more toxic inhibitors and the development of newer, more environmentally friendly ones.

High-Fidelity Kinetics and Radiation Transport for NLTE Hypersonic Flows, Phase I

Data.gov (United States)

National Aeronautics and Space Administration — The modeling of NLTE hypersonic flows combines several disciplines: chemistry, kinetics, radiation transport, fluid mechanics, and surface science. No single code or...

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.

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...

Comparison of neutron transport calculations with NRC test results

International Nuclear Information System (INIS)

Koban, J.; Hofmann, W.

1981-02-01

For an exactly defined reactor arrangement (PCA = Pool Critical Assembly) neutron fluxes, neutron spectra and reaction rates for several neutron detectors were calculated by means of one and two dimensional transport codes. An international comparison proved the methods applied at KWU to be adequate. There were difficulties, however, in considering the three dimensions of the assembly which result mainly from its small dimension. This fact applies to all participants who didn't use three dimensional codes. (orig.) [de

Selective host molecules obtained by dynamic adaptive chemistry.

Science.gov (United States)

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

2014-02-17

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

Methods and results of a probabilistic risk assessment for radioactive waste transports

International Nuclear Information System (INIS)

Lange, F.; Gruendler, D.; Schwarz, G.

1993-01-01

The radiological risk from accidents has been analyzed for the expected annual transport volume (3400 shipping units) of low and partially intermediate level radioactive wastes to be shipped to a final repository. In order to take account of these variable quantities and conditions a computer code was developed to simulate a wide spectrum of waste transport and accident configurations using Monte Carlo sampling techniques. Typically some 10.000 source terms were generated to represent possible releases of radionuclides from transport accidents. Accident events in which the integrity of waste packagings is retained and consequently no releases occur are included. Potential radiological consequences are then calculated for each of the release categories by using an accident consequence code which takes into account atmospheric dispersion statistics. Finally cumulative complementary frequency distributions of radiological consequences are generated by superposing the results for all release categories. Radiological consequences are primarily expressed as potential effective individual doses resulting from airborne and deposited radionuclides. The results of the risk analysis show that expected frequencies of effective doses comparable to the natural radiation exposure of one year are quite low and very low for potential radiation exposures in the range of 50 mSv. (J.P.N.)

Global vertical mass transport by clouds - A two-dimensional model study

International Nuclear Information System (INIS)

Olofsson, Mats

1988-05-01

A two-dimensional global dispersion model, where vertical transport in the troposphere carried out by convective as well as by frontal cloud systems is explicitly treated, is developed from an existing diffusion model. A parameterization scheme for the cloud transport, based on global cloud statistics, is presented. The model has been tested by using Kr-85, Rn-222 and SO 2 as tracers. Comparisons have been made with observed distributions of these tracers, but also with model results without the cloud transport, using eddy diffusion as the primary means of vertical transport. The model results indicate that for trace species with a turnover time of days to weeks, the introduction of cloud-transport gives much more realistic simulations of their vertical distribution. Layers of increased mixing ratio with height, which can be found in real atmosphere, are reproduced in our cloud-transport model profiles, but can never be simulated with a pure eddy diffusion model. The horizontal transport in the model, by advection and eddy diffusion, gives a realistic distribution between the hemispheres of the more long-lived tracers (Kr-85). A combination of vertical transport by convective and frontal cloud systems is shown to improve the model simulations, compared to limiting it to convective transport only. The importance of including cumulus clouds in the convective transport scheme, in addition to the efficient transport by cumulonimbus clouds, is discussed. The model results are shown to be more sensitive to the vertical detrainment distribution profile than to the absolute magnitude of the vertical mass transport. The scavenging processes for SO 2 are parameterized without the introduction of detailed chemistry. An enhanced removal, due to the increased contact with droplets in the in-cloud lifting process, is introduced in the model. (author)

Directions in Radiation Transport Modelling

Directory of Open Access Journals (Sweden)

P Nicholas Smith

2016-12-01

More exciting advances are on the horizon to increase the power of simulation tools. The advent of high performance computers is allowing bigger, higher fidelity models to be created, if the challenges of parallelization and memory management can be met. 3D whole core transport modelling is becoming possible. Uncertainty quantification is improving with large benefits to be gained from more accurate, less pessimistic estimates of uncertainty. Advanced graphical displays allow the user to assimilate and make sense of the vast amounts of data produced by modern modelling tools. Numerical solvers are being developed that use goal-based adaptivity to adjust the nodalisation of the system to provide the optimum scheme to achieve the user requested accuracy on the results, thus removing the need to perform costly convergence studies in space and angle etc. More use is being made of multi-physics methods in which radiation transport is coupled with other phenomena, such as thermal-hydraulics, structural response, fuel performance and/or chemistry in order to better understand their interplay in reactor cores.

Annual Report 1984. Chemistry Department

DEFF Research Database (Denmark)

Funck, Jytte; Nielsen, Ole John

This report contains a brief survey of the main activities in the Chemistry Department. All articles and reports published and lectures given in 1984 are presented. The facilities and equipment are mentioned briefly. The activities are divided into the following groups: radioisotope chemistry, an......, analytical- and organic chemistry, environmental chemistry, polymer chemistry, geochemistry and waste disposal, radical chemistry, positron annihilation, mineral processing, and general.......This report contains a brief survey of the main activities in the Chemistry Department. All articles and reports published and lectures given in 1984 are presented. The facilities and equipment are mentioned briefly. The activities are divided into the following groups: radioisotope chemistry...

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

Using Adobe Flash Animations of Electron Transport Chain to Teach and Learn Biochemistry

Science.gov (United States)

Teplá, Milada; Klímová, Helena

2015-01-01

Teaching the subject of the electron transport chain is one of the most challenging aspects of the chemistry curriculum at the high school level. This article presents an educational program called "Electron Transport Chain" which consists of 14 visual animations including a biochemistry quiz. The program was created in the Adobe Flash…

Annual report 1984 Chemistry Department

International Nuclear Information System (INIS)

Funck, J.; Larsen, E.; Nielsen, O.J.

1985-03-01

This report contains a brief survey of the main activities in the Chemistry Department. All articles and reports published and lectures given in 1984 are presented. The facilities and equipment are mentioned briefly. The activities are divided into the following groups: radioisotope chemistry, analytical- and organic chemistry , environmental chemistry, polymer chemistry, geochemistry and waste disposal, radical chemistry, positron annihilation, mineral processing, and general. (author)

Annual report 1987 Chemistry Department

International Nuclear Information System (INIS)

Funck, J.; Larsen, E.; Nielsen, O.J.

1988-04-01

This report contains a brief survey of the main activities in the Chemistry Department. The names and abstracts of all articles and reports published and lectures given in 1987 are presented. The facilities and equipment are mentioned briefly. The activities are divided into the following groups: radioisotope chemistry, analytical- and organic chemistry, environmental chemistry, polymer chemistry, radical chemistry, mineral processing, and general. 13 ills., (author)

Annual report 1985 Chemistry Department

International Nuclear Information System (INIS)

Funck, J.; Larsen, E.; Nielsen, O.J.

1986-03-01

This report contains a brief survey of the main activities in the Chemistry Department. All particles and reports published and lectures given in 1985 are presented. The facilities and equipment are mentioned briefly. The activities are divided into the following groups: radioisotope chemistry, analytical- and organic chemistry, environmental chemistry, polymer chemistry, geochemistry and waste disposal, radical chemistry, positron annihilation, mineral processing, and general. (author)

Annual report 1982 chemistry department

International Nuclear Information System (INIS)

Larsen, E.; Nielsen, O.J.

1983-04-01

The work going on in the Risoe National Laboratory, Chemistry Department is briefly surveyed by a presentation of all articles and reports published in 1982. The facilities and equipment are barely mentioned. The papers are divided into eight activities: 1. neutron activation analysis 2. analytical- and organic chemistry 3. environmental chemistry 4. polymer chemistry 5. geochemistry 6. radical chemistry 7. poitron annihilation 8. uranium process chemistry. (author)

Recent development in computational actinide chemistry

International Nuclear Information System (INIS)

Li Jun

2008-01-01

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

Results of focus group assessments of transportation financing options.

Science.gov (United States)

2013-01-01

The Wisconsin Commission on Transportation Finance and Policy was created in the 2011-2013 biennial state budget to : identify and evaluate transportation finance options to address needs into the future. As part of its scope, the Commission : needed...

The defect chemistry of nitrogen in oxides: A review of experimental and theoretical studies

International Nuclear Information System (INIS)

Polfus, Jonathan M.; Norby, Truls; Haugsrud, Reidar

2013-01-01

Incorporation of nitrogen into oxides has in recent years received increased attention as a variable for tuning their functional properties. A vast number of reports have been devoted to improving the photocatalytic properties of TiO 2 , p-type charge carrier concentration in ZnO and the ionic transport properties of ZrO 2 by nitrogen doping. In comparison, the fundamentals of the nitrogen related defect chemistry for a wider range of oxides have been less focused upon. In the present contribution, we review experimental and computational investigations of the nitrogen related defect chemistry of insulating and semiconducting oxides. The interaction between nitrogen and protons is important and emphasized. Specifically, the stability of nitrogen defects such as N O / , NH O × and (NH 2 ) O • is evaluated under various conditions and their atomistic and electronic structure is presented. A final discussion is devoted to the role of nitrogen with respect to transport properties and photocatalytic activity of oxides. - Graphical abstract: Experimental and theoretical investigations of the nitrogen related defect chemistry of a range of wide band gap oxides is reviewed. The interaction between nitrogen dopants and protons is emphasized and described through the atomistic and electronic structure as well as defect chemical processes involving NH and NH 2 defects. Consequently, the physical properties of oxides containing such species are discussed with respect to e.g., diffusion and photocatalytic properties. Highlights: ► Experimental and theoretical investigations of the nitrogen and hydrogen related defect chemistry of wide band gap oxides is reviewed. ► The interaction between nitrogen dopants and protons is important and emphasized. ► Diffusion and photocatalytic properties of N-doped oxides are discussed.

Implementation of an Online Chemistry Model to a Large Eddy Simulation Model (PALM-4U0

Science.gov (United States)

Mauder, M.; Khan, B.; Forkel, R.; Banzhaf, S.; Russo, E. E.; Sühring, M.; Kanani-Sühring, F.; Raasch, S.; Ketelsen, K.

2017-12-01

Large Eddy Simulation (LES) models permit to resolve relevant scales of turbulent motion, so that these models can capture the inherent unsteadiness of atmospheric turbulence. However, LES models are so far hardly applied for urban air quality studies, in particular chemical transformation of pollutants. In this context, BMBF (Bundesministerium für Bildung und Forschung) funded a joint project, MOSAIK (Modellbasierte Stadtplanung und Anwendung im Klimawandel / Model-based city planning and application in climate change) with the main goal to develop a new highly efficient urban climate model (UCM) that also includes atmospheric chemical processes. The state-of-the-art LES model PALM; Maronga et al, 2015, Geosci. Model Dev., 8, doi:10.5194/gmd-8-2515-2015), has been used as a core model for the new UCM named as PALM-4U. For the gas phase chemistry, a fully coupled 'online' chemistry model has been implemented into PALM. The latest version of the Kinetic PreProcessor (KPP) Version 2.3, has been utilized for the numerical integration of chemical species. Due to the high computational demands of the LES model, compromises in the description of chemical processes are required. Therefore, a reduced chemistry mechanism, which includes only major pollutants namely O3, NO, NO2, CO, a highly simplified VOC chemistry and a small number of products have been implemented. This work shows preliminary results of the advection, and chemical transformation of atmospheric pollutants. Non-cyclic boundaries have been used for inflow and outflow in east-west directions while periodic boundary conditions have been implemented to the south-north lateral boundaries. For practical applications, our approach is to go beyond the simulation of single street canyons to chemical transformation, advection and deposition of air pollutants in the larger urban canopy. Tests of chemistry schemes and initial studies of chemistry-turbulence, transport and transformations are presented.