WorldWideScience

Sample records for scale chemistry progress

  1. Progress in physical chemistry

    CERN Document Server

    Hempelmann, Rolf

    2008-01-01

    Progress in Physical Chemistry is a collection of recent ""Review Articles"" published in the ""Zeitschrift für Physikalische Chemie"". The second volume of Progress in Physical Chemistry is a collection of thematically closely related minireview articles written by the members of the Collaborative Research Centre (SFB) 277 of the German Research Foundation (DFG). These articles are based on twelve years of intense coordinated research efforts. Central topics are the synthesis and the characterization of interface-dominated, i.e. nanostructured materials, mainly in the solid state but also as

  2. Research into condensed matter using large-scale apparatus. Physics, chemistry, biology. Progress report 1992-1995. Summarizing reports

    International Nuclear Information System (INIS)

    1996-01-01

    Activities for research into condensed matter have been supported by the German BMBF with approx. 102 million Deutschmarks in the years 1992 through 1995. These financial means have been distributed among 314 research projects in the fields of physics, chemistry, biology, materials science, and other fields, which all rely on the intensive utilization of photon and particle beams generated in large-scale apparatus of institutions for basic research. The volume in hand first gives information of a general kind and statistical data on the distribution of financial means, for a number of priority research projects. The project reports are summarizing reports on the progress achieved in the various projects. (CB) [de

  3. Nuclear chemistry progress report

    International Nuclear Information System (INIS)

    1984-09-01

    The activities of the nuclear chemistry group at Indiana University during the period September 1, 1983 to August 31, 1984, are summarized. The primary thrust of our research program has continued to be the investigation of damped collision mechanisms at near-barrier energies and of linear momentum and energy transfer in the low-to-intermediate energy regime. In addition, during the past year we have initiated studies of complex fragment emission from highly excited nuclei and have also completed measurements relevant to understanding the origin and propagation of galactic cosmic rays. Equipment development efforts have resulted in significantly improving the resolution and solid-angle acceptance of our detector systems. The experimental program has been carried out at several accelerators including the Indiana University Cyclotron Facility, the Lawrence Berkeley Laboratory SuperHILAC, the Holifield Heavy-Ion Research Facility and the National Superconducting Cyclotron Laboratory at Michigan State University. Publications and activities are listed

  4. Nuclear chemistry progress report

    International Nuclear Information System (INIS)

    Viola, V.E.; Kwiatkowski, K.

    1991-08-01

    During the past year the Nuclear Chemistry Group at Indiana University has concentrated its efforts on (1) the analysis and publication of previous experimental studies and (2) the design and construction of ISiS, a 4π detector for multifragment emission studies. No new experiments were undertaken, rather all of our experimental effort has been directed toward component tests of ISiS, with a goal of beginning measurements with this device in 1992. Research projects that have been largely completed during the last year include: (1) multiple fragment emission studies of the 0.90 and 3.6 GeV 3 He + nat Ag reaction; (2) intermediate-mass-fragment (IMF: 3 ≤ Z ≤ 15) excitation function measurements for the E/A = 20-to-100 MeV 14 N + nat Ag and 197 Au reactions, and (3) particle-particle correlation studies for the determination of space-time relationships energy collisions

  5. Nuclear chemistry progress report

    International Nuclear Information System (INIS)

    1983-09-01

    The activities of the nuclear chemistry program at Indiana University during the period September 1, 1982 to August 31, 1983 are reviewed. As in the past, these investigations have focused on understanding the properties of nucleus-nucleus collisions at low-to-intermediate energies. During the past year new programs have been initiated at the National Superconducting Cyclotron Laboratory at Michigan State University and the Hollifield Heavy-Ion Research Facility at Oak Ridge. With the unique beams provided by these accelerators we have extended our previous studies of energy dissipation phenomena into new energy regimes. The MSU measurements, performed with E/A = 15 to 30 MeV 14 N beams, combined with recent results we have obtained at IUCF, have indicated the existence of a saturation in the average amount of linear momentum that can be transferred in nucleus-nucleus collisions. This saturation value is about 140 (MeV/C)/A and occurs at beam energies in the E/A approx. 30 to 50 MeV range for 3 He- to 20 Ne-projectiles. At HHIRF, studies of the 56 Fe + 56 Fe reaction at E/A = 14.6 MeV have provided additional evidence for structure in the energy spectra of projectile-like fragments formed in symmetric collisions. Studies of near-barrier 56 Fe-induced reactions have continued at the Lawrence Berkeley Laboratory SuperHILAC

  6. Scales of Progress

    Science.gov (United States)

    Jung, Lee Ann

    2018-01-01

    What is Goal Attainment Scaling? In this article, Lee Ann Jung defines it as a way to measure a student's progress toward an individualized goal. Instead of measuring a skill at a set time (for instance, on a test or other assignment), Goal Attainment Scaling tracks the steps a student takes over the course of a year in a targeted skill. Together,…

  7. Organometallic Chemistry. Final Progress Report

    Energy Technology Data Exchange (ETDEWEB)

    Wolczanski, Peter [Cornell Univ., Ithaca, NY (United States)

    2003-07-14

    The Gordon Research Conference (GRC) on Organometallic Chemistry was held at Salve Regina, Newport, Rhode Island, 7/21-26/02. Emphasis was placed on current unpublished research and discussion of the future target areas in this field.

  8. Fuel Chemistry Division: progress report for 1987

    International Nuclear Information System (INIS)

    1990-01-01

    The progress of research and development activities of the Fuel Chemistry Division of the Bhabha Atomic Research Centre, Bombay, during 1987 is reported in the form of summaries which are arranged under the headings: Fuel Development Chemistry, Chemistry of Actinides, Chemical Quality Control of Fuel, and Studies related to Nuclear Material Accounting. A list of publications by the members of the Division during the report period is given at the end of the report. (M.G.B.). refs., 15 figs., 85 tabs

  9. Department of Chemistry, progress report

    International Nuclear Information System (INIS)

    1989-05-01

    The research activities in Department of Chemistry during the last 3 years from 1986 to 1988 were compiled. The researches and works of Department of Chemistry are mainly those concerned with important basic matters and items which are committed to the further development of the nuclear fuels and materials, to the establishment of the nuclear fuel cycle, and to the acquisition of data for the environmental safety studies. Intensive efforts were also made on chemical analysis service of various fuels and nuclear materials. (author)

  10. Fuel Chemistry Division: progress report for 1985

    International Nuclear Information System (INIS)

    1988-01-01

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

  11. Chemistry Division: progress report (1983-84)

    International Nuclear Information System (INIS)

    Shastri, L.V.; George, A.M.

    1985-01-01

    This is the seventh progress report of the Chemistry Division covering the two years 1983 and 1984. The main emphasis of the Division continues to be on basic research though spin offs in high technology areas are closely pursued. Laboratory facilities have been considerably augmented during this period. Besides the design and fabrication of a crossed molecular beam chemiluminescence apparatus, a 80 MHz FTNMR and a 5nsec. excimer laser kinetic spectrometer were acquired; a 5nsec. pulsed electron accelerator would be installed in 1985. The research and development projects taken up during the VI Five Year Plan have achieved considerable progress. Only brief accounts of investigations are presented in the report. (author)

  12. 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.)

  13. Fuel Chemistry Division annual progress report for 1990

    International Nuclear Information System (INIS)

    Vaidyanathan, R.

    1993-01-01

    The progress report gives brief descriptions of the various activities of the Fuel Chemistry Division of Bhabha Atomic Research Centre, Bombay for the year 1990. The descriptions of activities are arranged under the headings: Fuel Development Chemistry, Chemistry of Actinides, Quality Control of Nuclear Fuels, and studies related to Nuclear Materials Accounting. At the end of the report, a list of papers published in journals and presented at various conferences/symposia is also given. (author). 7 figs., 52 tabs

  14. Chemistry Division annual progress report for period ending January 31, 1984

    Energy Technology Data Exchange (ETDEWEB)

    1984-05-01

    Progress is reported in the following fields: coal chemistry, aqueous chemistry at high temperatures and pressures, geochemistry, high-temperature chemistry and thermodynamics of structural materials, chemistry of transuranium elements and compounds, separations chemistry, elecrochemistry, catalysis, chemical physics, theoretical chemistry, nuclear waste chemistry, chemistry of hazardous chemicals, and thermal energy storage.

  15. 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

  16. 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.

  17. Gatlinburg conference: barometer of progress in analytical chemistry

    International Nuclear Information System (INIS)

    Shults, W.D.

    1981-01-01

    Much progress has been made in the field of analytical chemistry over the past twenty-five years. The AEC-ERDA-DOE family of laboratories contributed greatly to this progress. It is not surprising then to find a close correlation between program content of past Gatlinburg conferences and developments in analytical methodology. These conferences have proved to be a barometer of technical status

  18. Chemistry Progress and Civilization in Ancient China

    Institute of Scientific and Technical Information of China (English)

    JIANG Yu-Qian; RUAN Shu-Xiang; TANG Shan; SHUAI Zhi-Gang

    2011-01-01

    @@ During the 6,000 years of Chinese civilization, chemistry has played an essential role.The bronzed chime bells of the Warring States Period (475-221 BC) unearthed in Hubei Province shows not only the excellence in musical instruments in ancient China, but also the technological advances in metallurgy.Chinese alchemy was not originated from the quest to turn common metals to gold, instead, it was for searching medicines for longevity of human beings, mostly practised by Taoists.

  19. Progress report, Chemistry and Materials Division

    International Nuclear Information System (INIS)

    1982-02-01

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

  20. Fuel Chemistry Division: annual progress report for 1988

    International Nuclear Information System (INIS)

    Vaidyanathan, S.

    1991-01-01

    The progress report gives the brief descriptions of various activites of the Fuel Chemistry Division of Bhabha Atomic Research Centre, Bombay for the year 1988. The descriptions of activities are arranged under the headings: Fuel Development Chemistry of Actinides, Quality Control of Fuel, and Studies related to Nuclear Material Accounting. At the end of report, a list of publications published in journals and papers presented at various conferences/symposia during 1988 is given. (author). 13 figs., 61 tabs

  1. Fuel Chemistry Division annual progress report for 1989

    International Nuclear Information System (INIS)

    Singh Mudher, K.D.

    1993-01-01

    The progress report gives a brief description of the various activities of the Fuel Chemistry Division of Bhabha Atomic Research Centre, Bombay for the year 1989. The descriptions of activities are arranged under the headings: Fuel Development Chemistry, Chemical Quality Control, Chemistry of Actinides, Sol-Gel process for the non Nuclear Ceramics and Studies related to Nuclear Material Accounting.At the end of the report, a list of papers published in journals and presented at various conferences/symposia is also given. (author). 69 tabs., 6 figs

  2. Hot atom chemistry: Three decades of progress

    International Nuclear Information System (INIS)

    Urch, D.S.

    1990-01-01

    The seminal experiments of Szilard and Chalmers indicated that the energy released in a nuclear transformation could be used to initiate chemical reaction. But basic studies of small molecules in the gas phase, from which reaction mechanisms could be elucidated, were not made until the late 50's. Since then theory and experiments have gone hand in hand in the study of the hot atom reactions of many recoil species. This review will present a broad overview of progress that has been made in understanding how the energy received by the atom (translation, ionization, electronic) in a nuclear transformation is used to drive chemical reactions. The limitations implied by concomitant radiation damage and ignorance of the exact state of the reacting species, upon fundamental studies and practical applications, will also be discussed

  3. Analytical Chemistry Laboratory progress report for FY 1999

    Energy Technology Data Exchange (ETDEWEB)

    Green, D. W.; Boparai, A. S.; Bowers, D. L.; Graczyk, D. G.

    2000-06-15

    This report summarizes the activities of the Analytical Chemistry Laboratory (ACL) at Argonne National Laboratory (ANL) for Fiscal Year (FY) 1999 (October 1998 through September 1999). This annual progress report, which is the sixteenth in this series for the ACL, describes effort on continuing projects, work on new projects, and contributions of the ACL staff to various programs at ANL.

  4. Analytical Chemistry Laboratory progress report for FY 1998.

    Energy Technology Data Exchange (ETDEWEB)

    Boparai, A. S.; Bowers, D. L.; Graczyk, D. G.; Green, D. W.; Lindahl, P. C.

    1999-03-29

    This report summarizes the activities of the Analytical Chemistry Laboratory (ACL) at Argonne National Laboratory (ANL) for Fiscal Year (FY) 1998 (October 1997 through September 1998). This annual progress report, which is the fifteenth in this series for the ACL, describes effort on continuing projects, work on new projects, and contributions of the ACL staff to various programs at ANL.

  5. Analytical Chemistry Laboratory progress report for FY 1998

    International Nuclear Information System (INIS)

    Boparai, A. S.; Bowers, D. L.; Graczyk, D. G.; Green, D. W.; Lindahl, P. C.

    1999-01-01

    This report summarizes the activities of the Analytical Chemistry Laboratory (ACL) at Argonne National Laboratory (ANL) for Fiscal Year (FY) 1998 (October 1997 through September 1998). This annual progress report, which is the fifteenth in this series for the ACL, describes effort on continuing projects, work on new projects, and contributions of the ACL staff to various programs at ANL

  6. Analytical chemistry laboratory. Progress report for FY 1997

    Energy Technology Data Exchange (ETDEWEB)

    Green, D.W.; Boparai, A.S.; Bowers, D.L. [and others

    1997-12-01

    The purpose of this report is to summarize the activities of the Analytical Chemistry Laboratory (ACL) at Argonne National Laboratory (ANL) for Fiscal Year (FY) 1997 (October 1996 through September 1997). This annual progress report is the fourteenth in this series for the ACL, and it describes continuing effort on projects, work on new projects, and contributions of the ACL staff to various programs at ANL.

  7. How Do Undergraduate Students Conceptualize Acid-Base Chemistry? Measurement of a Concept Progression

    Science.gov (United States)

    Romine, William L.; Todd, Amber N.; Clark, Travis B.

    2016-01-01

    We developed and validated a new instrument, called "Measuring Concept progressions in Acid-Base chemistry" (MCAB) and used it to better understand the progression of undergraduate students' understandings about acid-base chemistry. Items were developed based on an existing learning progression for acid-base chemistry. We used the Rasch…

  8. Building Units Design and Scale Chemistry

    Science.gov (United States)

    Férey, Gérard

    2000-06-01

    The concept of a building unit (BU) is used in two ways: the first is an a posteriori tool for description of structures which can be used to imagine new topologies originating from the description; the second one, restricted to the routes leading to the solid from the solution, starts from the reality of these building units in the solution to design new solids obtained by the tuned precipitation of these BUs with proper counterions. The room temperature and the hydrothermal routes are examined. The existence of BUs with different sizes with close topologies, revealed by numerous examples, leads us to define the notion of "scale chemistry" which concerns the edification of solids with various BUs, either organic, hybrid, or inorganic, and the consequences it has for the corresponding frameworks and the voids they generate. Not only the framework is important, and applications of the existence of large cavities are discussed. The paper ends with a discussion of the new trends which arise from this topological concept.

  9. Progress in organic and physical chemistry structures and mechanisms

    CERN Document Server

    Zaikov, Gennady E; Lobanov, Anton V

    2013-01-01

    Progress in Organic and Physical Chemistry: Structures and Mechanisms provides a collection of new research in the field of organic and physical properties, including new research on: The physical principles of the conductivity of electrical conducting polymer compounds The dependence on constants of electromagnetic interactions upon electron spacial-energy characteristics Effects of chitosan molecultural weight on rehological behavior of chitosan modified nanoclay at hight hydrated state Bio-structural energy criteria of functional states in normal and pathological conditions Potentiometric study on the international between devalent cations and sodium carboxylates in aqueous solutions Structural characteristic changes in erythrocyte membranes of mice bearing Alzheimer's-like disease caused by the olfactory bulbetomy This volume is intended to provide an overview of new studies and research for engineers, faculty, researchers, and upper-level students in the field of organic and physical chemistry.

  10. 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.

  11. Recent Progress in Large-Scale Structure

    CERN Multimedia

    CERN. Geneva

    2014-01-01

    I will discuss recent progress in the understanding of how to model galaxy clustering. While recent analyses have focussed on the baryon acoustic oscillations as a probe of cosmology, galaxy redshift surveys contain a lot more information than the acoustic scale. In extracting this additional information three main issues need to be well understood: nonlinear evolution of matter fluctuations, galaxy bias and redshift-space distortions. I will present recent progress in modeling these three effects that pave the way to constraining cosmology and galaxy formation with increased precision.

  12. Mineral scale management. Part II, Fundamental chemistry

    Science.gov (United States)

    Alan W. Rudie; Peter W. Hart

    2006-01-01

    The mineral scale that deposits in digesters and bleach plants is formed by a chemical precipitation process.As such, it is accurately modeled using the solubility product equilibrium constant. Although solubility product identifies the primary conditions that must be met for a scale problem to exist, the acid-base equilibria of the scaling anions often control where...

  13. Annual progress report of the Condensed Matter Physics and Chemistry Department. 1 January - 31 December 2000

    International Nuclear Information System (INIS)

    Lebech, B.

    2001-03-01

    The Condensed Matter Physics and Chemistry Department is concerned with both fundamental and applied research into the physical and chemical properties of materials. The principal activities in the year 2000 are presented in this progress report. The research in physics is concentrated on neutron and x-ray scattering measurements and the problems studied include two- and three-dimensional structures, magnetic ordering and spin dynamics, superconductivity, phase transitions and nano-scale structures. The research in chemistry includes chemical synthesis and physico-chemical investigation of small molecules and polymers, with emphasis on polymers with new optical properties, block copolymers, surface-modified polymers, and supramolecular structures. Theoretical work related to these problems is undertaken, including Monte Carlo simulations, computer simulation of molecules and polymers and methods of data analysis. (au)

  14. Annual progress report of the Condensed Matter Physics and Chemistry Department 1 January - 31 December 1997

    International Nuclear Information System (INIS)

    Nielsen, M.; Bechgaard, K.; Clausen, K.N.; Feidenhans'l, R.; Johannsen, I.

    1998-01-01

    The Condensed Matter Physics and Chemistry Department is concerned with both fundamental and applied research into the physical and chemical properties of materials. The principal activities in the year 1997 are presented in this progress report. The research in physics in concentrated on neutron and x-ray scattering measurements and the problems studied include two- and three-dimensional structures, magnetic ordering and spin dynamics, superconductivity, phase transitions and nano-scale structures. The research in chemistry includes chemical synthesis and physico-chemical investigation of small molecules and polymers, with emphasis on polymers with new optical properties, block copolymers, surface-modified polymers, and supramolecular structures. Theoretical work related to these problems in undertaken, including Monte Carlo simulations, computer simulation of molecules and polymers and methods of data analysis. (au)

  15. Annual progress report of the Condensed Matter Physics and Chemistry Department. 1 January - 31 December 1999

    International Nuclear Information System (INIS)

    Lebech, B.

    2000-02-01

    The Condensed Matter Physics and Chemistry Department is concerned with both fundamental and applied research into the physical and chemical properties of materials. The principal activities in the year 1999 are presented in this progress report. The research in physics is concentrated on neutron and x-ray scattering measurements and the problems studied include two- and three-dimensional structures, magnetic ordering and spin dynamics, superconductivity, phase transitions and nano-scale structures. The research in chemistry includes chemical synthesis and physico-chemical investigation of small molecules and polymers, with emphasis on polymers with new optical properties, block copolymers, surface-modified polymers, and supramolecular structures. Theoretical work related to these problems is undertaken, including Monte Carlo simulations, computer simulation of molecules and polymers and methods of data analysis. (au)

  16. Annual progress report of the Condensed Matter Physics and Chemistry Department 1 January - 31 December 1998

    Energy Technology Data Exchange (ETDEWEB)

    Bechgaard, K.; Clausen, K.N.; Feidenhans`l, R.; Johannsen, I. [eds.

    1999-04-01

    The Condensed Matter Physics and Chemistry Department is concerned with both fundamental and applied research into the physical properties of materials. The principal activities in the year 1998 are presented in this progress report. The research in physics is concentrated on neutron and x-ray scattering measurements and the problems studied include two- and three-dimensional structures, magnetic ordering and spin dynamics, superconductivity, phase transitions and nano-scale structures. The research in chemistry includes chemical synthesis and physico-chemical investigation of small molecules and polymers, with emphasis on polymers with new optical properties, block copolymers, surface-modified polymers, and supramolecular structures. Theoretical work related to these problems is undertaken, including Monte Carlo simulations, computer simulation of molecules and polymers and methods of data analysis. (au) 2 tabs., 142 ills., 169 refs.

  17. Annual progress report of the Condensed Matter Physics and Chemistry Department 1 January - 31 December 1997

    Energy Technology Data Exchange (ETDEWEB)

    Nielsen, M; Bechgaard, K; Clausen, K N; Feidenhans` l, R; Johannsen, I [eds.

    1998-01-01

    The Condensed Matter Physics and Chemistry Department is concerned with both fundamental and applied research into the physical and chemical properties of materials. The principal activities in the year 1997 are presented in this progress report. The research in physics in concentrated on neutron and x-ray scattering measurements and the problems studied include two- and three-dimensional structures, magnetic ordering and spin dynamics, superconductivity, phase transitions and nano-scale structures. The research in chemistry includes chemical synthesis and physico-chemical investigation of small molecules and polymers, with emphasis on polymers with new optical properties, block copolymers, surface-modified polymers, and supramolecular structures. Theoretical work related to these problems in undertaken, including Monte Carlo simulations, computer simulation of molecules and polymers and methods of data analysis. (au). 129 ills., 213 refs.

  18. Annual progress report of the Condensed Matter Physics and Chemistry Department 1 January - 31 December 1998

    International Nuclear Information System (INIS)

    Bechgaard, K.; Clausen, K.N.; Feidenhans'l, R.; Johannsen, I.

    1999-04-01

    The Condensed Matter Physics and Chemistry Department is concerned with both fundamental and applied research into the physical properties of materials. The principal activities in the year 1998 are presented in this progress report. The research in physics is concentrated on neutron and x-ray scattering measurements and the problems studied include two- and three-dimensional structures, magnetic ordering and spin dynamics, superconductivity, phase transitions and nano-scale structures. The research in chemistry includes chemical synthesis and physico-chemical investigation of small molecules and polymers, with emphasis on polymers with new optical properties, block copolymers, surface-modified polymers, and supramolecular structures. Theoretical work related to these problems is undertaken, including Monte Carlo simulations, computer simulation of molecules and polymers and methods of data analysis. (au)

  19. Progress report 1987-1988. Reactor Chemistry Department

    International Nuclear Information System (INIS)

    1988-01-01

    Review of the activities performed by the Reactor Chemistry Department of the National Atomic Energy Commission of Argentina during 1987-1988. This department provides services and assistance in all matters related to water chemistry and nuclear reactors chemistry, in all their phases: design, construction, commissioning and decommissioning. The appendix includes information on the Reactor Chemistry Department staff, its publications, services, seminars, courses and conferences performed during 1987-1988. (Author) [es

  20. Partners for Progress and Prosperity in the Global Chemistry Enterprise

    Science.gov (United States)

    In the past several years, there have been many changes facing the global chemistry enterprise. Whereas the overall chemistry enterprise appears to be strong and the chemical industry is still a major contributor to GDP, many chemistry-based products have been commoditized, and chemical employment h...

  1. Progress report 1983-1984 Reactor Chemistry Department

    International Nuclear Information System (INIS)

    1985-11-01

    Description of the activity developed by the Reactor Chemistry Department of the National Atomic Energy Commission during the period 1983-1984 in its four divisions: Chemical Control; Moderator and Refrigerant Chemistry; Radiation Chemistry and Nuclear Power Plant's Service. A list of the publications made by the personnel during this period is also included. (M.E.L.) [es

  2. 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

  3. 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

  4. 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.

  5. NWChem: Quantum Chemistry Simulations at Scale

    Energy Technology Data Exchange (ETDEWEB)

    Apra, Edoardo; Kowalski, Karol; Hammond, Jeff R.; Klemm, Michael

    2015-01-17

    Methods based on quantum mechanics equations have been developed since the 1930's with the purpose of accurately studying the electronic structure of molecules. However, it is only during the last two decades that intense development of new computational algorithms has opened the possibility of performing accurate simulations of challenging molecular processes with high-order many-body methods. A wealth of evidence indicates that the proper inclusion of instantaneous interactions between electrons (or the so-called electron correlation effects) is indispensable for the accurate characterization of chemical reactivity, molecular properties, and interactions of light with matter. The availability of reliable methods for benchmarking of medium-size molecular systems provides also a unique chance to propagate high-level accuracy across spatial scales through the multiscale methodologies. Some of these methods have potential to utilize computational resources in an effi*cient way since they are characterized by high numerical complexity and appropriate level of data granularity, which can be effi*ciently distributed over multi-processor architectures. The broad spectrum of coupled cluster (CC) methods falls into this class of methodologies. Several recent CC implementations clearly demonstrated the scalability of CC formalisms on architectures composed of hundreds thousand computational cores. In this context NWChem provides a collection of Tensor Contraction Engine (TCE) generated parallel implementations of various coupled cluster methods capable of taking advantage of many thousand of cores on leadership class parallel architectures.

  6. 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)

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

    Energy Technology Data Exchange (ETDEWEB)

    1949-09-14

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

  8. Progress report 1981-1982. Reactor Chemistry Department

    International Nuclear Information System (INIS)

    1983-08-01

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

  9. Department of Chemistry Progress Report (January 1989 - December 1991)

    International Nuclear Information System (INIS)

    1992-03-01

    The research activities in Department of Chemistry during the last 3 years from 1989 to 1991 were compiled. The researches and works of Department of Chemistry are mainly those concerned with important basic matters and items which are committed to further development of nuclear fuels and materials, to establishment of the nuclear fuel cycle, and to new development of advanced nuclear researches such as laser, ion-beam and photo-chemistry. Intensive efforts were also made on chemical analysis service of various fuels and nuclear materials. (author)

  10. Analytical Chemistry Laboratory: Progress report for FY 1988

    International Nuclear Information System (INIS)

    Green, D.W.; Heinrich, R.R.; Graczyk, D.G.; Lindahl, P.C.; Erickson, M.D.

    1988-12-01

    The purpose of this report is to summarize the activities of the Analytical Chemistry Laboratory (ACL) at Argonne National Laboratory (ANL) for fiscal year 1988 (October 1987 through September 1988). The Analytical Chemistry Laboratory is a full-cost recovery service center, with the primary mission of providing a broad range of analytical chemistry support services to the scientific and engineering programs at ANL. In addition, the ACL conducts a research program in analytical chemistry, works on instrumental and methods development, and provides analytical services for governmental, educational, and industrial organizations. The ACL handles a wide range of analytical problems, from routine standard analyses to unique problems that require significant development of methods and techniques

  11. Water Chemistry Section: progress report (1981-82)

    International Nuclear Information System (INIS)

    Dharwadkar, S.R.; Ramshesh, V.

    1983-01-01

    The activities of the Water Chemistry Section of the Bhabha Atomic Research Centre (BARC), Bombay, during the years 1981 and 1982 are reported in the form of individual summaries. The research activities of the Section cover the following areas: (1) chemistry and thermodynamics of nuclear materials, (2) crystal structure of organo-metallic complexes using X-ray diffraction, (3) thermophysical and phase transition studies, (4) solid state chemistry and thermochemical studies, (5) water and steam chemistry of heavy water plants and phwr type reactors, and (6) uranium isotope exchange studies. A survey is also given of: (i) the Section's participation in advisory and consultancy services in nuclear and thermal power stations, (ii) training activities, and (iii) assistance in chemical analysis by various techniques to other units of BARC and outside agencies. A list of publications and lectures by the staff during the report period is included. (M.G.B.)

  12. Analytical Chemistry Laboratory: Progress report for FY 1988

    Energy Technology Data Exchange (ETDEWEB)

    Green, D.W.; Heinrich, R.R.; Graczyk, D.G.; Lindahl, P.C.; Erickson, M.D.

    1988-12-01

    The purpose of this report is to summarize the activities of the Analytical Chemistry Laboratory (ACL) at Argonne National Laboratory (ANL) for fiscal year 1988 (October 1987 through September 1988). The Analytical Chemistry Laboratory is a full-cost recovery service center, with the primary mission of providing a broad range of analytical chemistry support services to the scientific and engineering programs at ANL. In addition, the ACL conducts a research program in analytical chemistry, works on instrumental and methods development, and provides analytical services for governmental, educational, and industrial organizations. The ACL handles a wide range of analytical problems, from routine standard analyses to unique problems that require significant development of methods and techniques.

  13. Analytical Chemistry Laboratory progress report for FY 1991

    Energy Technology Data Exchange (ETDEWEB)

    Green, D.W.; Heinrich, R.R.; Graczyk, D.G.; Lindahl, P.C.; Boparai, A.S.

    1991-12-01

    The purpose of this report is to summarize the activities of the Analytical Chemistry Laboratory (ACL) at Argonne National Laboratory (ANL) for Fiscal Year 1991 (October 1990 through September 1991). This is the eighth annual report for the ACL. The Analytical Chemistry Laboratory is a full-cost-recovery service center, with the primary mission of providing a broad range of analytical chemistry support services to the scientific and engineering programs at ANL. In addition, the ACL conducts a research program in analytical chemistry, works on instrumental and methods development, and provides analytical services for governmental, educational, and industrial organizations. The ACL handles a wide range of analytical problems, from routine standard analyses to unique problems that require significant development of methods and techniques.

  14. Analytical Chemistry Laboratory progress report for FY 1989

    International Nuclear Information System (INIS)

    Green, D.W.; Heinrich, R.R.; Graczyk, D.G.; Lindahl, P.C.; Erickson, M.D.

    1989-12-01

    The purpose of this report is to summarize the activities of the Analytical Chemistry Laboratory (ACL) at Argonne National Laboratory (ANL) for Fiscal Year 1989 (October 1988 through September 1989). The Analytical Chemistry Laboratory is a full-cost-recovery service center, with the primary mission of providing a broad range of analytical chemistry support services to the scientific and engineering programs at ANL. In addition, the ACL conducts a research program in analytical chemistry, works on instrumental and methods development, and provides analytical services for governmental, educational, and industrial organizations. The ACL handles a wide range of analytical problems, from routine standard analyses to unique problems that require significant development of methods and techniques

  15. Yucca Mountain drift scale test progress report

    Energy Technology Data Exchange (ETDEWEB)

    Apps, J.; Birkholzer, J.T.; Peterson,J.E.; Sonnenthal, E.; Spycher, N.; Tsang, Y.W.; Williams, K.H.

    1999-01-01

    The Drift Scale Test (DST) is part of the Exploratory Studies Facility (ESF) Thermal Test being conducted underground at the potential high-level nuclear waste repository at Yucca Mountain, Nevada. The purpose of the ESF Thermal Test is to acquire a more in-depth understanding of the coupled thermal, mechanical, hydrological, and chemical processes likely to be encountered in the rock mass surrounding the potential geological repository at Yucca Mountain. These processes are monitored by a multitude of sensors to measure the temperature, humidity, gas pressure, and mechanical displacement, of the rock formation in response to the heat generated by the heaters. In addition to collecting passive monitoring data, active hydrological and geophysical testing is also being carried out periodically in the DST. These active tests are intended to monitor changes in the moisture redistribution in the rock mass, to collect water and gas samples for chemical and isotopic analysis, and to detect microfiacturing due to heating. On December 3, 1998, the heaters in the DST were activated. The planned heating phase of the DST is 4 years, and the cooling phase following the power shutoff will be of similar duration. The present report summarizes interpretation and analysis of thermal, hydrological, chemical, and geophysical data for the first 6 months; it is the first of many progress reports to be prepared during the DST.

  16. Analytical Chemistry Laboratory. Progress report for FY 1996

    Energy Technology Data Exchange (ETDEWEB)

    Green, D.W.; Boparai, A.S.; Bowers, D.L.

    1996-12-01

    The purpose of this report is to summarize the activities of the Analytical Chemistry Laboratory (ACL) at Argonne National Laboratory (ANL) for Fiscal Year (FY) 1996. This annual report is the thirteenth for the ACL. It describes effort on continuing and new projects and contributions of the ACL staff to various programs at ANL. The ACL operates in the ANL system as a full-cost-recovery service center, but has a mission that includes a complementary research and development component: The Analytical Chemistry Laboratory will provide high-quality, cost-effective chemical analysis and related technical support to solve research problems of our clients -- Argonne National Laboratory, the Department of Energy, and others -- and will conduct world-class research and development in analytical chemistry and its applications. Because of the diversity of research and development work at ANL, the ACL handles a wide range of analytical chemistry problems. Some routine or standard analyses are done, but the ACL usually works with commercial laboratories if our clients require high-volume, production-type analyses. It is common for ANL programs to generate unique problems that require significant development of methods and adaption of techniques to obtain useful analytical data. Thus, much of the support work done by the ACL is very similar to our applied analytical chemistry research.

  17. Analytical Chemistry Laboratory progress report for FY 1985

    Energy Technology Data Exchange (ETDEWEB)

    Green, D.W.; Heinrich, R.R.; Jensen, K.J.

    1985-12-01

    The Analytical Chemistry Laboratory is a full-cost-recovery service center, with the primary mission of providing a broad range of technical support services to the scientific and engineering programs at ANL. In addition, ACL conducts a research program in analytical chemistry, works on instrumental and methods development, and provides analytical services for governmental, educational, and industrial organizations. The ACL handles a wide range of analytical problems, from routine standard analyses to unique problems that require significant development of methods and techniques. The purpose of this report is to summarize the technical and administrative activities of the Analytical Chemistry Laboratory (ACL) at Argonne National Laboratory (ANL) for Fiscal Year 1985 (October 1984 through September 1985). This is the second annual report for the ACL. 4 figs., 1 tab.

  18. Analytical Chemistry Laboratory progress report for FY 1985

    International Nuclear Information System (INIS)

    Green, D.W.; Heinrich, R.R.; Jensen, K.J.

    1985-12-01

    The Analytical Chemistry Laboratory is a full-cost-recovery service center, with the primary mission of providing a broad range of technical support services to the scientific and engineering programs at ANL. In addition, ACL conducts a research program in analytical chemistry, works on instrumental and methods development, and provides analytical services for governmental, educational, and industrial organizations. The ACL handles a wide range of analytical problems, from routine standard analyses to unique problems that require significant development of methods and techniques. The purpose of this report is to summarize the technical and administrative activities of the Analytical Chemistry Laboratory (ACL) at Argonne National Laboratory (ANL) for Fiscal Year 1985 (October 1984 through September 1985). This is the second annual report for the ACL. 4 figs., 1 tab

  19. Progress report 1989-1990. Reactors Chemistry Department

    International Nuclear Information System (INIS)

    1991-01-01

    This paper presents a review of the activities performed by the Reactors Chemistry Department of the Argentine National Atomic Energy Commission during 1989-1990. This department provides scientific-technical services and assistance in all chemical problems related to design, construction, commissioning and decommissioning of nuclear power plants

  20. 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

  1. Analytical Chemistry Laboratory, progress report for FY 1993

    Energy Technology Data Exchange (ETDEWEB)

    1993-12-01

    The purpose of this report is to summarize the activities of the Analytical Chemistry Laboratory (ACL) at Argonne National Laboratory (ANL) for Fiscal Year (FY) 1993 (October 1992 through September 1993). This annual report is the tenth for the ACL and describes continuing effort on projects, work on new projects, and contributions of the ACL staff to various programs at ANL. The Analytical Chemistry Laboratory is a full-cost-recovery service center, with the primary mission of providing a broad range of analytical chemistry support services to the scientific and engineering programs at ANL. The ACL also has research programs in analytical chemistry, conducts instrumental and methods development, and provides analytical services for governmental, educational, and industrial organizations. The ACL handles a wide range of analytical problems. Some routine or standard analyses are done, but it is common for the Argonne programs to generate unique problems that require development or modification of methods and adaption of techniques to obtain useful analytical data. The ACL is administratively within the Chemical Technology Division (CMT), its principal ANL client, but provides technical support for many of the technical divisions and programs at ANL. The ACL has four technical groups--Chemical Analysis, Instrumental Analysis, Organic Analysis, and Environmental Analysis--which together include about 45 technical staff members. Talents and interests of staff members cross the group lines, as do many projects within the ACL.

  2. Analytical Chemistry Laboratory progress report for FY 1984

    International Nuclear Information System (INIS)

    Green, D.W.; Heinrich, R.R.; Jensen, K.J.; Stetter, J.R.

    1985-03-01

    Technical and administrative activities of the Analytical Chemistry Laboratory (ACL) are reported for fiscal year 1984. The ACL is a full-cost-recovery service center, with the primary mission of providing a broad range of technical support services to the scientific and engineering programs at ANL. In addition, ACL conducts a research program in analytical chemistry, works on instrumental and methods development, and provides analytical services for governmental, educational, and industrial organizations. The ACL is administratively within the Chemical Technology Division, the principal user, but provides technical support for all of the technical divisions and programs at ANL. The ACL has three technical groups - Chemical Analysis, Instrumental Analysis, and Organic Analysis. Under technical activities 26 projects are briefly described. Under professional activities, a list is presented for publications and reports, oral presentations, awards and meetings attended. 6 figs., 2 tabs

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

    Science.gov (United States)

    Joshi, Kaushik; Chaudhuri, Santanu

    2017-01-01

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

  4. Metallocarboxylate chemistry. Progress report, April 1, 1989--September 20, 1991

    Energy Technology Data Exchange (ETDEWEB)

    Gibson, D.H.

    1991-12-31

    CO{sub 2}-Bridged Bimetallics: Goals were to establish synthetic routes to metallocarboxylates, MCOOM` [M=CpFe(CO)(PPh{sub 3}) or Cp*Fe(CO)(PPh{sub 3}); M`=alakli, main or transition metal], to assess stability and to explore chemical reactions. Much of the efforts were focused on metallocarboxylate anions. Spectra (IR, DRIFTS, NMR) were studied. Other C{sub 1} Complexes: Other aspects of transition metal-C{sub 1} chemistry have been under investigation.

  5. Analytical Chemistry Laboratory Progress Report for FY 1994

    Energy Technology Data Exchange (ETDEWEB)

    Green, D.W.; Boparai, A.S.; Bowers, D.L. [and others

    1994-12-01

    The purpose of this report is to summarize the activities of the Analytical Chemistry Laboratory (ACL) at Argonne National Laboratory (ANL) for Fiscal Year (FY) 1994 (October 1993 through September 1994). This annual report is the eleventh for the ACL and describes continuing effort on projects, work on new projects, and contributions of the ACL staff to various programs at ANL. The Analytical Chemistry Laboratory is a full-cost-recovery service center, with the primary mission of providing a broad range of analytical chemistry support services to the scientific and engineering programs at ANL. The ACL also has a research program in analytical chemistry, conducts instrumental and methods development, and provides analytical services for governmental, educational, and industrial organizations. The ACL handles a wide range of analytical problems. Some routine or standard analyses are done, but it is common for the Argonne programs to generate unique problems that require significant development of methods and adaption of techniques to obtain useful analytical data. The ACL has four technical groups -- Chemical Analysis, Instrumental Analysis, Organic Analysis, and Environmental Analysis -- which together include about 45 technical staff members. Talents and interests of staff members cross the group lines, as do many projects within the ACL. The Chemical Analysis Group uses wet- chemical and instrumental methods for elemental, compositional, and isotopic determinations in solid, liquid, and gaseous samples and provides specialized analytical services. Major instruments in this group include an ion chromatograph (IC), an inductively coupled plasma/atomic emission spectrometer (ICP/AES), spectrophotometers, mass spectrometers (including gas-analysis and thermal-ionization mass spectrometers), emission spectrographs, autotitrators, sulfur and carbon determinators, and a kinetic phosphorescence uranium analyzer.

  6. Department of chemistry progress report (January 1984 - December 1985)

    International Nuclear Information System (INIS)

    1986-02-01

    Described are the research activities in the Department of Chemistry during the last 2 years and publications from 1981 to 1985. The activity was mainly focused on the basic researches for further development of the nuclear fuels and materials, for establishing the nuclear fuel cycles, and for obtaining basic data for the environmental safety. Intensive effort was also paid to service analysis of various fuels and materials. (author)

  7. Progress of radiation chemistry engineering in the USSR

    International Nuclear Information System (INIS)

    Breger, A.Kh.

    1988-01-01

    A brief review of works in the field of radiation chemistry engineering (RCE) in the recent 20 years is given. Main results of development of theoretic, engineering and economic bases for creating plants for realization of RCE processes using radionuclide (long- and short-living) γ radiation sources and electron accelerators, are considered. The current state in this field meets the requirements placed in connection with forthcoming wide introduction of radiation technology to the soviet industry

  8. Progress report 1986/87 of the chemistry department

    International Nuclear Information System (INIS)

    Gaeggeler, H.

    1988-05-01

    The following fields of activity are described: SAPHIR gas-jet; experiments for chemistry of Zr and Nb; continuous aerosol measurement by the epiphaniometer; determination of fractal structural parameters of aerosol particles; sorption and desorption of barium on glaciofluvial loose rock; cyclic behavior of metals in ground water; radon at infiltration of river water into ground water - a new method for measurement of ground water flow velocity; the borehole dilution method with bromine-82 for determination of ground water flow velocity; determination of sedimentation rates in Lake of Constance with lead-210 and cesium-137; macro- and microelements in the system spruce/ground/aerosol; the ground as support of the tree; experiments for chemistry of lawrencium; determination of excitation functions for nobelium isotopes from the fusion reaction 48 Ca + 208 Pb; determination of half life for the spontaneous fission of 254 No; the nitrogen fixation potential of agriculturally used legumes; Chernobyl-fallout measurements on size-fractional aerosols; deposition of 134,137 Cs from the Chernobyl-fallout on spruce needles and its incorporation in the needles; Chernobyl-fallout in the Swiss Alps; ion chromatography on fog samples. 64 refs., 53 figs., 4 tabs

  9. Analytical Chemistry Division annual progress report for period ending December 31, 1985

    International Nuclear Information System (INIS)

    Shultz, W.D.

    1986-05-01

    Progress reports are presented for the four major sections of the division: analytical spectroscopy, radioactive materials laboratories, inorganic chemistry, and organic chemistry. A brief discussion of the division's role in the Laboratory's Environmental Restoration and Facilities Upgrade is given. Information about quality assurance and safety programs is presented, along with a tabulation of analyses rendered. Publications, oral presentations, professional activities, educational programs, and seminars are cited

  10. Analytical Chemistry Division annual progress report for period ending December 31, 1985

    Energy Technology Data Exchange (ETDEWEB)

    Shultz, W.D.

    1986-05-01

    Progress reports are presented for the four major sections of the division: analytical spectroscopy, radioactive materials laboratories, inorganic chemistry, and organic chemistry. A brief discussion of the division's role in the Laboratory's Environmental Restoration and Facilities Upgrade is given. Information about quality assurance and safety programs is presented, along with a tabulation of analyses rendered. Publications, oral presentations, professional activities, educational programs, and seminars are cited.

  11. Chemistry research and development. Progress report, December 1978-May 1979

    International Nuclear Information System (INIS)

    Miner, F.J.

    1980-01-01

    Progress and activities are reported on component development, pilot plant development, and instrumentation and statistical systems. Specific items studied include processing of pond sludge, transport of radioactive materials and wastes, corrosion, decontamination and cleaning, fluidized-bed incineration, Pu contamination of soils, chemical analysis, radiometric analysis, security

  12. Polyphenolic chemistry of tea and coffee: a century of progress.

    Science.gov (United States)

    Wang, Yu; Ho, Chi-Tang

    2009-09-23

    Tea and coffee, the most popular beverages in the world, have been consumed for thousands of years for their alluring flavors and health benefits. Polyphenols, particularly flavonoids and phenolic acids, are of great abundance in tea and coffee and contribute a lot to their flavor and health properties. This paper reviews the polyphenol chemistry of tea and coffee, specifically their stability, and scavenging ability of reactive oxygen species (ROS) and reactive carbonyl species (RCS). During the manufacturing and brewing process, green tea and black tea polyphenols undergo epimerization and oxidation, respectively. Meanwhile, the lactonization and the polymerization of chlorogenic acid are the major causes for the degradation of polyphenols in coffee. Tea catechins, besides having antioxidant properties, have the novel characteristic of trapping reactive carbonyl species. The A ring of the catechins is the binding site for RCS trapping, whereas the B ring is the preferred site for antioxidation.

  13. Racing chemistry: A century of challenges and progress.

    Science.gov (United States)

    Kremmer, Christopher

    2017-09-01

    Horseracing has been called 'one of the first quintessentially modern sports'. Its urge towards standardization, its mathematically set odds, its concern with weights, and its pioneering embrace of drug-testing reflect an empirical temperament crucial to its transformation from a gentleman's pastime to a global industry funded by wagering. Ironically, in the late nineteenth century, it was modern science itself, and in particular the purification and synthesis of the drugs of nature, that turned the doping of racing animals - a practice recorded in antiquity - into an organized criminal enterprise. This paper presents original research into the history of racing chemistry in Australia in the context of developments in the field worldwide. Using a case-study approach based on extensive archival materials, it reveals unpublished diaries kept by an analyst working at Sydney Racing Laboratory in the 1950s that document conflicts between scientists over identification of performance drugs in racing animals. The author presents evidence that augments and revises earlier narratives concerning the history of the establishment of laboratory control at Australian racetracks and the removal of the country's first official analyst for racing, Miss Jean Kimble. The Kimble case illustrates the inevitable political, professional, and personal pressures that bear upon drug-testing in sports, and also conflicts between scientists over standards and priorities. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

  14. Chemistry research and development progress report, May-October, 1978

    International Nuclear Information System (INIS)

    Miner, F.J.

    1979-01-01

    Work in progress includes: calorimetry and thermodynamics of nuclear materials; americium recovery and purification; optimization of the cation exchange process for recovering americium and plutonium from molten salt extraction residues, photochemical separations of actinides; advanced ion exchange materials and techniques; secondary actinide recovery; removal of plutonium from lathe coolant oil; evaluation of tributyl phosphate-impregnated sorbent for plutonium-uranium separations; plutonium recovery in advance size reduction facility; plutonium peroxide precipitation; decontamination of Rocky Flats soil; soil decontamination at other Department of Energy sites; recovery of actinides from combustible wastes; induction-heated, tilt-pour furnace; vacuum melting; determination of plutonium and americium in salts and alloys by calorimetry; plutonium peroxide precipitation process; silica removal study; a comparative study of annular and Raschig ring-filled tanks; recovery of plutonium and americium from a salt cleanup alloy; and process development for recovery of americium from vacuum melt furnace crucibles

  15. Fundamental studies in isotope chemistry. Progress report, 1 August 1981-1 August 1982

    International Nuclear Information System (INIS)

    Bigeleisen, J.

    1982-01-01

    This research program is concerned with isotope chemistry and its applications. A summary of isotope separation activities during the past 5 years is included. Isotope effects are used as probes for chemical reactions, geochemistry, meteorology, and molecular biology, and this report also summarizes progress made in this area

  16. IPEN's Nuclear Physics and Chemistry Department - Progress report - 1995-1996

    International Nuclear Information System (INIS)

    1997-01-01

    The biannual progress report of 1995-1996 of IPEN's Nuclear Physics and Chemistry Department - Brazilian organization - introduces the next main topics: neutron activation and radiochemical analysis; nuclear structure and reactions; neutron diffraction; hyperfine interactions; applied physics and instrumentation; publications; academic activities; services; and personnel

  17. IPEN's Nuclear Physics and Chemistry Department - Progress report - 1995-1996

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1997-07-01

    The biannual progress report of 1995-1996 of IPEN's Nuclear Physics and Chemistry Department - Brazilian organization - introduces the next main topics: neutron activation and radiochemical analysis; nuclear structure and reactions; neutron diffraction; hyperfine interactions; applied physics and instrumentation; publications; academic activities; services; and personnel.

  18. IPEN's Nuclear Physics and Chemistry Department - Progress report - 1995-1996

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1997-07-01

    The biannual progress report of 1995-1996 of IPEN's Nuclear Physics and Chemistry Department - Brazilian organization - introduces the next main topics: neutron activation and radiochemical analysis; nuclear structure and reactions; neutron diffraction; hyperfine interactions; applied physics and instrumentation; publications; academic activities; services; and personnel.

  19. Chemistry research and development. Progress report, July 1977--May 1978

    International Nuclear Information System (INIS)

    Miner, F.J.

    1979-01-01

    Studies were continued to determine the compatibility of non-nuclear weapons metals with various production processing materials. The corrosion resistance of 304L stainless steel in mixed acid environment was tested. Intergranular corrosion tests were performed on welded 21-6-9 and 304L stainless steels. A laboratory scale fast fluidized bed incineration system was installed and operating techniques developed. A new uranium chip burning process is being developed. Component development, pilot plant development, and instrumentation and statistical systems development are briefly discussed

  20. Chemistry

    International Nuclear Information System (INIS)

    Ferris, L.M.

    1976-01-01

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

  1. State-of-the-Art Report on the Progress of Nuclear Fuel Cycle Chemistry

    International Nuclear Information System (INIS)

    Collins, E.D.; DelCul, G.D.; Spencer, B.B.; Jubin, R.T.; Maher, C.; Kim, I.-T.; Lee, H.; Federov, Yu. S.; Saprykin, V.F.; Beznosyuk, V.I.; Kolyadin, A.B.; Baron, P.; Miguirditchian, M.; Sorel, C.; Morita, Y.; Taylor, R.; Khaperskaya, A.; Hill, C.; Malmbeck, R.; Law, J.; Angelis, G. de; Boucher, L.; Xeres, X.; Collins, E.; Mendes, E.; Lee, H.-S.; Inoue, T.; Glatz, J.P.; Kormilitsyn, M.; Uhlir, J.; Ignatiev, V.; Serp, J.; Delpech, S.

    2018-01-01

    The implementation of advanced nuclear systems requires that new technologies associated with the back end of the fuel cycle are developed. The separation of minor actinides from other fuel components is one of the advanced concepts being studied to help close the nuclear fuel cycle and to improve the long-term effects on the performance of geological repositories. Separating spent fuel elements and subsequently converting them through transmutation into short-lived nuclides should considerably reduce the long-term risks associated with nuclear power generation. R and D programs worldwide are attempting to address such challenges, and many processes for advanced reprocessing and partitioning minor actinides are being developed. This report provides a comprehensive overview of progress on separation chemistry processes, and in particular on the technologies associated with the separation and recovery of minor actinides for recycling so as to help move towards the implementation of advanced fuel cycles. The report examines both aqueous and pyro processes, as well as the status of current and proposed technologies described according to the hierarchy of separations targeting different fuel components. The process criteria that will affect technology down-selection are also reviewed, as are non-proliferation requirements. The maturity of different reprocessing techniques are assessed using a scale based on the technology readiness level, and perspectives for future R and D are reviewed

  2. The Chip-Scale Atomic Clock - Recent Development Progress

    Science.gov (United States)

    2004-09-01

    35th Annual Precise Time and Time Interval (PTTI) Meeting 467 THE CHIP-SCALE ATOMIC CLOCK – RECENT DEVELOPMENT PROGRESS R. Lutwak ...1] R. Lutwak , et al., 2003, “The Chip-Scale Atomic Clock – Coherent Population Trapping vs. Conventional Interrogation,” in

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

    Science.gov (United States)

    Hafner, Andreas; Meisenbach, Mark; Sedelmeier, Joerg

    2016-08-05

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

  4. Recent progress in understanding activity cliffs and their utility in medicinal chemistry.

    Science.gov (United States)

    Stumpfe, Dagmar; Hu, Ye; Dimova, Dilyana; Bajorath, Jürgen

    2014-01-09

    The activity cliff concept is of high relevance for medicinal chemistry. Recent studies are discussed that have further refined our understanding of activity cliffs and suggested different ways of exploiting activity cliff information. These include alternative approaches to define and classify activity cliffs in two and three dimensions, data mining investigations to systematically detect all possible activity cliffs, the introduction of computational methods to predict activity cliffs, and studies designed to explore activity cliff progression in medicinal chemistry. The discussion of these studies is complemented with new findings revealing the frequency of activity cliff formation when different molecular representations are used and the distribution of activity cliffs across different targets. Taken together, the results have a number of implications for the practice of medicinal chemistry.

  5. Annual progress report of the Condensed Matter Physics and Chemistry Department 1 January - 31 December 2000

    DEFF Research Database (Denmark)

    2001-01-01

    The Condensed Matter Physics and Chemistry Department is concerned with both fundamental and applied research into the physical and chemical properties of materials. The principal activities in the year 2000 are presented in this progress report. Theresearch in physics is concentrated on neutron...... molecules and polymers, with emphasis on polymers with new optical properties, block copolymers, surface-modified polymers, and supramolecular structures. Theoretical work related to these problems is undertaken, including Monte Carlo simulations, computer simulation of molecules and polymers and methods...

  6. Sequential Progressions in a Theory of Mind Scale: Longitudinal Perspectives

    Science.gov (United States)

    Wellman, Henry M.; Fuxi, Fang; Peterson, Candida C.

    2011-01-01

    Consecutive re-testings of 92 U.S. preschoolers (n = 30), Chinese preschoolers (n = 31), and deaf children (n = 31) examined whether the sequences of development apparent in cross-sectional results with a theory-of-mind scale also appeared in longitudinal assessment. Longitudinal data confirmed that theory-of-mind progressions apparent in cross-sectional scaling data also characterized longitudinal sequences of understanding for individual children. The match between cross-sectional and longitudinal sequences appeared for children who exhibit different progressions across cultures (U.S. vs. China) and for children with substantial delays (deaf children of hearing parents). Moreover, greater scale distances reflected larger longitudinal age differences. PMID:21428982

  7. Exploring the Progression in Preservice Chemistry Teachers' Pedagogical Content Knowledge Representations: The Case of "Behavior of Gases"

    Science.gov (United States)

    Adadan, Emine; Oner, Diler

    2014-01-01

    This multiple case study investigated how two preservice chemistry teachers' pedagogical content knowledge (PCK) representations of behavior of gases progressed in the context of a semester-long chemistry teaching methods course. The change in the participants' PCK components was interpreted with respect to the theoretical PCK learning…

  8. Exploring hypothetical learning progressions for the chemistry of nitrogen and nuclear processes

    Science.gov (United States)

    Henry, Deborah McKern

    Chemistry is a bridge that connects a number of scientific disciplines. High school students should be able to determine whether scientific information is accurate, how chemistry applies to daily life, and the mechanism by which systems operate (NRC, 2012). This research focuses on describing hypothetical learning progressions for student understanding of the chemical reactions of nitrogen and nuclear processes and examines whether there is consistency in scientific reasoning between these two distinct conceptual areas. The constant comparative method was used to analyze the written products of students including homework, formative and summative tests, laboratory notebooks, reflective journals, written presentations, and discussion board contributions via Edmodo (an online program). The ten participants were 15 and 16 year old students enrolled in a general high school chemistry course. Instruction took place over a ten week period. The learning progression levels ranged from 0 to 4 and were described as missing, novice, intermediate, proficient, and expert. The results were compared to the standards set by the NRC with a lower anchor (expectations for grade 8) and upper anchor (expectations for grade 12). The results indicate that, on average, students were able to reach an intermediate level of understanding for these concepts.

  9. Development and Validation of Chemistry Self-Efficacy Scale for College Students

    Science.gov (United States)

    Uzuntiryaki, Esen; Aydin, Yesim Capa

    2009-01-01

    This study described the process of developing and validating the College Chemistry Self-Efficacy Scale (CCSS) that can be used to assess college students' beliefs in their ability to perform essential tasks in chemistry. In the first phase, data collected from 363 college students provided evidence for the validity and reliability of the new…

  10. Annual progress report of the Condensed Matter Physics and Chemistry Department. 1 January - 31 December 1999

    Energy Technology Data Exchange (ETDEWEB)

    Lebech, B [ed.

    2000-02-01

    The Condensed Matter Physics and Chemistry Department is concerned with both fundamental and applied research into the physical and chemical properties of materials. The principal activities in the year 1999 are presented in this progress report. The research in physics is concentrated on neutron and x-ray scattering measurements and the problems studied include two- and three-dimensional structures, magnetic ordering and spin dynamics, superconductivity, phase transitions and nano-scalestructures. The research in chemistry includes chemical synthesis and physico-chemical investigation of small molecules and polymers, with emphasis on polymers with new optical properties, block copolymers, surface-modified polymers, and supramolecular structures. Theoretical work related to these problems is undertaken, including Monte Carlo simulations, computer simulation of molecules and polymers and methods of data analysis. (au)

  11. Annual progress report of the Condensed Matter Physics and Chemistry Department 1 January - 31 December 1999

    DEFF Research Database (Denmark)

    2000-01-01

    The Condensed Matter Physics and Chemistry Department is concerned with both fundamental and applied research into the physical and chemical properties of materials. The principal activities in the year 1999 are presented in this progress report. Theresearch in physics is concentrated on neutron...... molecules and polymers, with emphasis on polymers with new optical properties, block copolymers, surface-modified polymers, and supramolecular structures.Theoretical work related to these problems is undertaken, including Monte Carlo simulations, computer simulation of molecules and polymers and methods...

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

    International Nuclear Information System (INIS)

    1982-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

    1982-01-01

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

  14. 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...

  15. small-scale chemistry for a hands-on approach to chemistry practical

    African Journals Online (AJOL)

    IICBA01

    Department of Chemistry, Norwegian University of Science and Technology, ..... kits were acquired from South Africa (Mylab project, Northwest University). .... solve/handle the lab problems, and, even less, to explore innovative ways ..... lessons at their own pace, they were good at managing and saving time for activities like.

  16. Chemistry Division annual progress report for period ending January 31, 1986

    Energy Technology Data Exchange (ETDEWEB)

    1986-05-01

    This report has been indexed by 11 separate chapters. The subjects covered are: coal chemistry, aqueous chemistry at high temperatures and pressures, geochemistry, materials chemistry, chemistry of transuranium elements and compounds, separations chemistry, catalysis, electron spectroscopy, nuclear waste chemistry, heuristic modeling, and special topics. (PLG)

  17. Chemistry Division annual progress report for period ending January 31, 1986

    International Nuclear Information System (INIS)

    1986-05-01

    This report has been indexed by 11 separate chapters. The subjects covered are: coal chemistry, aqueous chemistry at high temperatures and pressures, geochemistry, materials chemistry, chemistry of transuranium elements and compounds, separations chemistry, catalysis, electron spectroscopy, nuclear waste chemistry, heuristic modeling, and special topics

  18. Progressive Transitions from Algorithmic to Conceptual Understanding in Student Ability To Solve Chemistry Problems: A Lakatosian Interpretation.

    Science.gov (United States)

    Niaz, Mansoor

    The main objective of this study is to construct models based on strategies students use to solve chemistry problems and to show that these models form sequences of progressive transitions similar to what Lakatos (1970) in the history of science refers to as progressive 'problemshifts' that increase the explanatory' heuristic power of the models.…

  19. 25th anniversary article: progress in chemistry and applications of functional indigos for organic electronics.

    Science.gov (United States)

    Głowacki, Eric Daniel; Voss, Gundula; Sariciftci, Niyazi Serdar

    2013-12-17

    Indigo and its derivatives are dyes and pigments with a long and distinguished history in organic chemistry. Recently, applications of this 'old' structure as a functional organic building block for organic electronics applications have renewed interest in these molecules and their remarkable chemical and physical properties. Natural-origin indigos have been processed in fully bio-compatible field effect transistors, operating with ambipolar mobilities up to 0.5 cm(2) /Vs and air-stability. The synthetic derivative isoindigo has emerged as one of the most successful building-blocks for semiconducting polymers for plastic solar cells with efficiencies > 5%. Another isomer of indigo, epindolidione, has also been shown to be one of the best reported organic transistor materials in terms of mobility (∼2 cm(2) /Vs) and stability. This progress report aims to review very recent applications of indigoids in organic electronics, but especially to logically bridge together the hereto independent research directions on indigo, isoindigo, and other materials inspired by historical dye chemistry: a field which was the root of the development of modern chemistry in the first place. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. Climate and chemistry effects of a regional scale nuclear conflict

    OpenAIRE

    Stenke A.; Hoyle C. R.; Luo B.; Rozanov E.; Groebner J.; Maag L.; Broennimann S.; Peter T.

    2013-01-01

    Previous studies have highlighted the severity of detrimental effects for life on Earth after an assumed regionally limited nuclear war. These effects are caused by climatic, chemical and radiative changes persisting for up to one decade. However, so far only a very limited number of climate model simulations have been performed, giving rise to the question how realistic previous computations have been. This study uses the coupled chemistry climate model (CCM) SOCOL, which belongs to a...

  1. Fundamental chemistry of precipitation and mineral scale formation

    Science.gov (United States)

    Alan W. Rudie; Peter W. Hart

    2005-01-01

    The mineral scale that deposits in digesters and bleach plants is formed by a chemical precipitation process. As such, it is accurately described or modeled using the solubility product equilibrium constant. Although solubility product identifies the primary conditions that need to be met for a scale problem to exist, the acid base equilibria of the scaling anions...

  2. Evaluation of porewater chemistry in the buffer material for the second progress report H12

    International Nuclear Information System (INIS)

    Oda, Chie; Shibata, Masahiro; Yui, Mikazu

    1999-09-01

    In the safety assessment for geological disposal of high-level radioactive wastes (HLW), porewater chemistry in buffer materials is used to estimate migration of radionuclides and corrosion of overpack materials. For the reference case in the second progress report on research and development for HLW disposal in Japan, entitled H12, porewater chemistry was evaluated by using a chemical model based on an experimental work by Oda and Shibata (1999) under the assumption of a thermodynamic system of groundwater with bentonite and corrosion products of carbon-steel overpack. This report provides the scientific information basis for the porewater chemistry evaluation, and describes the possible variations in porewater composition affected by following factors: - variations in groundwater composition relevant to the alternative geological environments cases and the perturbation scenario, and supplementary variations in groundwater composition. - model/data uncertainties associated with insufficient understanding of important processes with respect to the time-dependent behavior of a geological disposal system: in particular, how the surface reaction of smectite changes with time, how the impurities of bentonite affect porewater, and how the reactions like redox equilibria, kinetics of dissolution of accessory minerals in bentonite and precipitation of secondary minerals (including corrosion products of overpack materials) should be handled in the porewater calculations. - uncertainties of thermodynamic data of the geochemical elements. The results of calculation indicated that porewaters in the buffer material, as far as calcite is not exhausted, may vary within the range of pH from 6 to 11. It was found that important factors on the variations in porewater composition were the change of surface reactions of smectite with time, the degree of soluble impurities dissolution/dispersion and the amount of iron being supplied into the buffer region by corrosion of the overpack

  3. AERE Harwell Applied Chemistry Division unclassified progress report and bibliography for the period 1st April 1975 to 31st March 1976

    International Nuclear Information System (INIS)

    1976-08-01

    The Progress Report is under the headings: Analytical Chemistry Group, Actinide Analysis Group, Applied Electrochemistry Group, Nuclear Fuels Group, Solid State Chemistry Group, Separation Processes Group, list of unclassified publications. (U.K.)

  4. Progress report, Chemistry and Materials Division, October 1 to December 31, 1975

    International Nuclear Information System (INIS)

    1976-01-01

    Interim research results are reported in solid state science (ion penetration, electron microscopy, radiation damage and metal physics, nuclear methods of analysis), general chemistry (analytical chemistry, hydrogen-water exchange, radioactivity measurements, electrochemistry), physical chemistry (radiation and isotope chemistry), materials science (surface chemistry and metal physics), and university research (deuterium exchange and zirconium alloy properties). (E.C.B.)

  5. Impact of General Chemistry on Student Achievement and Progression to Subsequent Chemistry Courses: A Regression Discontinuity Analysis

    Science.gov (United States)

    Shultz, Ginger V.; Gottfried, Amy C.; Winschel, Grace A.

    2015-01-01

    General chemistry is a gateway course that impacts the STEM trajectory of tens of thousands of students each year, and its role in the introductory curriculum as well as its pedagogical design are the center of an ongoing debate. To investigate the role of general chemistry in the curriculum, we report the results of a posthoc analysis of 10 years…

  6. Annual progress report of the physical chemistry department. Basic research 1987

    International Nuclear Information System (INIS)

    1988-01-01

    Basic research for 1987 in physical chemistry of the French Atomic Energy Commission are reviewed. Topics include molecular chemistry, isotopic geochemistry, molecular photophysics, laser photochemistry, solid and surface physical chemistry. A list of publications and thesis is given [fr

  7. Chemistry Division: Annual progress report for period ending March 31, 1987

    International Nuclear Information System (INIS)

    1987-08-01

    This report is divided into the following sections: coal chemistry; aqueous chemistry at high temperatures and pressures; geochemistry of crustal processes to high temperatures and pressures; chemistry of advanced inorganic materials; structure and dynamics of advanced polymeric materials; chemistry of transuranium elements and compounds; separations chemistry; reactions and catalysis in molten salts; surface science related to heterogeneous catalysis; electron spectroscopy; chemistry related to nuclear waste disposal; computational modeling of security document printing; and special topics

  8. Chemistry Division: Annual progress report for period ending March 31, 1987

    Energy Technology Data Exchange (ETDEWEB)

    1987-08-01

    This report is divided into the following sections: coal chemistry; aqueous chemistry at high temperatures and pressures; geochemistry of crustal processes to high temperatures and pressures; chemistry of advanced inorganic materials; structure and dynamics of advanced polymeric materials; chemistry of transuranium elements and compounds; separations chemistry; reactions and catalysis in molten salts; surface science related to heterogeneous catalysis; electron spectroscopy; chemistry related to nuclear waste disposal; computational modeling of security document printing; and special topics. (DLC)

  9. Analytical Chemistry Division. Annual progress report for period ending December 31, 1981

    International Nuclear Information System (INIS)

    Lyon, W.S.

    1982-04-01

    The functions of the Analytical Chemistry Division fall into three general categories: (1) analytical research, development, and implementation; (2) programmatic research, development and utilization; (3) technical support. The Division is organized into five major sections each of which may carry out any type of work falling into the thre categories mentioned above. Chapters 1 through 5 of this report highlight progress within the five sections which are: analytical methodology; mass and emission spectrometry; analytical technical support; bio/organic analysis section; and nuclear and radiochemical analysis. A short summary introduces each chapter to indicate work scope. Information about quality assurance and safety programs is presented in Chapter 6, along with a tabulation of analyses rendered. Chapter 7 covers supplementary activities. Chapter 8 is on presentation of research results (publications, articles reviewed or referred for periodicals). Approximately 56 articles, 31 proceedings publications and 33 reports have been published, and 119 oral presentations given during this reporting period

  10. Analytical Chemistry Division. Annual progress report for period ending December 31, 1981

    Energy Technology Data Exchange (ETDEWEB)

    Lyon, W. S. [ed.

    1982-04-01

    The functions of the Analytical Chemistry Division fall into three general categories: (1) analytical research, development, and implementation; (2) programmatic research, development and utilization; (3) technical support. The Division is organized into five major sections each of which may carry out any type of work falling into the thre categories mentioned above. Chapters 1 through 5 of this report highlight progress within the five sections which are: analytical methodology; mass and emission spectrometry; analytical technical support; bio/organic analysis section; and nuclear and radiochemical analysis. A short summary introduces each chapter to indicate work scope. Information about quality assurance and safety programs is presented in Chapter 6, along with a tabulation of analyses rendered. Chapter 7 covers supplementary activities. Chapter 8 is on presentation of research results (publications, articles reviewed or referred for periodicals). Approximately 56 articles, 31 proceedings publications and 33 reports have been published, and 119 oral presentations given during this reporting period.

  11. Analytical Chemistry Division annual progress report for period ending December 31, 1988

    International Nuclear Information System (INIS)

    1988-05-01

    The Analytical Chemistry Division of Oak Ridge National Laboratory (ORNL) is a large and diversified organization. As such, it serves a multitude of functions for a clientele that exists both in and outside of ORNL. These functions fall into the following general categories: (1) Analytical Research, Development, and Implementation. The division maintains a program to conceptualize, investigate, develop, assess, improve, and implement advanced technology for chemical and physicochemical measurements. Emphasis is on problems and needs identified with ORNL and Department of Energy (DOE) programs; however, attention is also given to advancing the analytical sciences themselves. (2) Programmatic Research, Development, and Utilization. The division carries out a wide variety of chemical work that typically involves analytical research and/or development plus the utilization of analytical capabilities to expedite programmatic interests. (3) Technical Support. The division performs chemical and physicochemical analyses of virtually all types. The Analytical Chemistry Division is organized into four major sections, each of which may carry out any of the three types of work mentioned above. Chapters 1 through 4 of this report highlight progress within the four sections during the period January 1 to December 31, 1988. A brief discussion of the division's role in an especially important environmental program is given in Chapter 5. Information about quality assurance, safety, and training programs is presented in Chapter 6, along with a tabulation of analyses rendered. Publications, oral presentations, professional activities, educational programs, and seminars are cited in Chapters 7 and 8

  12. Analytical Chemistry Division annual progress report for period ending December 31, 1988

    Energy Technology Data Exchange (ETDEWEB)

    1988-05-01

    The Analytical Chemistry Division of Oak Ridge National Laboratory (ORNL) is a large and diversified organization. As such, it serves a multitude of functions for a clientele that exists both in and outside of ORNL. These functions fall into the following general categories: (1) Analytical Research, Development, and Implementation. The division maintains a program to conceptualize, investigate, develop, assess, improve, and implement advanced technology for chemical and physicochemical measurements. Emphasis is on problems and needs identified with ORNL and Department of Energy (DOE) programs; however, attention is also given to advancing the analytical sciences themselves. (2) Programmatic Research, Development, and Utilization. The division carries out a wide variety of chemical work that typically involves analytical research and/or development plus the utilization of analytical capabilities to expedite programmatic interests. (3) Technical Support. The division performs chemical and physicochemical analyses of virtually all types. The Analytical Chemistry Division is organized into four major sections, each of which may carry out any of the three types of work mentioned above. Chapters 1 through 4 of this report highlight progress within the four sections during the period January 1 to December 31, 1988. A brief discussion of the division's role in an especially important environmental program is given in Chapter 5. Information about quality assurance, safety, and training programs is presented in Chapter 6, along with a tabulation of analyses rendered. Publications, oral presentations, professional activities, educational programs, and seminars are cited in Chapters 7 and 8.

  13. Analytical Chemistry Division annual progress report for period ending December 31, 1989

    International Nuclear Information System (INIS)

    1990-04-01

    The Analytical Chemistry Division of Oak Ridge National Laboratory (ORNL) is a large and diversified organization. As such, it serves a multitude of functions for a clientele that exists both in and outside of ORNL. These functions fall into the following general categories: Analytical Research, Development and Implementation; Programmatic Research, Development, and Utilization; and Technical Support. The Analytical Chemistry Division is organized into four major sections, each which may carry out any of the three types of work mentioned above. Chapters 1 through 4 of this report highlight progress within the four sections during the period January 1 to December 31, 1989. A brief discussion of the division's role in an especially important environmental program is given in Chapter 5. Information about quality assurance, safety, and training programs is presented in Chapter 6, along with a tabulation of analyses rendered. Publications, oral presentations, professional activities, educational programs, and seminars are cited in Chapters 7 and 8. Approximately 69 articles, 41 proceedings, and 31 reports were published, and 151 oral presentations were given during this reporting period. Some 308,981 determinations were performed

  14. Analytical Chemistry Division annual progress report for period ending December 31, 1989

    Energy Technology Data Exchange (ETDEWEB)

    1990-04-01

    The Analytical Chemistry Division of Oak Ridge National Laboratory (ORNL) is a large and diversified organization. As such, it serves a multitude of functions for a clientele that exists both in and outside of ORNL. These functions fall into the following general categories: Analytical Research, Development and Implementation; Programmatic Research, Development, and Utilization; and Technical Support. The Analytical Chemistry Division is organized into four major sections, each which may carry out any of the three types of work mentioned above. Chapters 1 through 4 of this report highlight progress within the four sections during the period January 1 to December 31, 1989. A brief discussion of the division's role in an especially important environmental program is given in Chapter 5. Information about quality assurance, safety, and training programs is presented in Chapter 6, along with a tabulation of analyses rendered. Publications, oral presentations, professional activities, educational programs, and seminars are cited in Chapters 7 and 8. Approximately 69 articles, 41 proceedings, and 31 reports were published, and 151 oral presentations were given during this reporting period. Some 308,981 determinations were performed.

  15. Climate and chemistry effects of a regional scale nuclear conflict

    Science.gov (United States)

    Stenke, A.; Hoyle, C. R.; Luo, B.; Rozanov, E.; Gröbner, J.; Maag, L.; Brönnimann, S.; Peter, T.

    2013-10-01

    Previous studies have highlighted the severity of detrimental effects for life on earth after an assumed regionally limited nuclear war. These effects are caused by climatic, chemical and radiative changes persisting for up to one decade. However, so far only a very limited number of climate model simulations have been performed, giving rise to the question how realistic previous computations have been. This study uses the coupled chemistry climate model (CCM) SOCOL, which belongs to a different family of CCMs than previously used, to investigate the consequences of such a hypothetical nuclear conflict. In accordance with previous studies, the present work assumes a scenario of a nuclear conflict between India and Pakistan, each applying 50 warheads with an individual blasting power of 15 kt ("Hiroshima size") against the major population centers, resulting in the emission of tiny soot particles, which are generated in the firestorms expected in the aftermath of the detonations. Substantial uncertainties related to the calculation of likely soot emissions, particularly concerning assumptions of target fuel loading and targeting of weapons, have been addressed by simulating several scenarios, with soot emissions ranging from 1 to 12 Tg. Their high absorptivity with respect to solar radiation leads to a rapid self-lofting of the soot particles into the strato- and mesosphere within a few days after emission, where they remain for several years. Consequently, the model suggests earth's surface temperatures to drop by several degrees Celsius due to the shielding of solar irradiance by the soot, indicating a major global cooling. In addition, there is a substantial reduction of precipitation lasting 5 to 10 yr after the conflict, depending on the magnitude of the initial soot release. Extreme cold spells associated with an increase in sea ice formation are found during Northern Hemisphere winter, which expose the continental land masses of North America and Eurasia to a

  16. Climate and chemistry effects of a regional scale nuclear conflict

    Directory of Open Access Journals (Sweden)

    A. Stenke

    2013-10-01

    Full Text Available Previous studies have highlighted the severity of detrimental effects for life on earth after an assumed regionally limited nuclear war. These effects are caused by climatic, chemical and radiative changes persisting for up to one decade. However, so far only a very limited number of climate model simulations have been performed, giving rise to the question how realistic previous computations have been. This study uses the coupled chemistry climate model (CCM SOCOL, which belongs to a different family of CCMs than previously used, to investigate the consequences of such a hypothetical nuclear conflict. In accordance with previous studies, the present work assumes a scenario of a nuclear conflict between India and Pakistan, each applying 50 warheads with an individual blasting power of 15 kt ("Hiroshima size" against the major population centers, resulting in the emission of tiny soot particles, which are generated in the firestorms expected in the aftermath of the detonations. Substantial uncertainties related to the calculation of likely soot emissions, particularly concerning assumptions of target fuel loading and targeting of weapons, have been addressed by simulating several scenarios, with soot emissions ranging from 1 to 12 Tg. Their high absorptivity with respect to solar radiation leads to a rapid self-lofting of the soot particles into the strato- and mesosphere within a few days after emission, where they remain for several years. Consequently, the model suggests earth's surface temperatures to drop by several degrees Celsius due to the shielding of solar irradiance by the soot, indicating a major global cooling. In addition, there is a substantial reduction of precipitation lasting 5 to 10 yr after the conflict, depending on the magnitude of the initial soot release. Extreme cold spells associated with an increase in sea ice formation are found during Northern Hemisphere winter, which expose the continental land masses of North

  17. "Named Small but Doing Great": An Investigation of Small-Scale Chemistry Experimentation for Effective Undergraduate Practical Work

    Science.gov (United States)

    Tesfamariam, Gebrekidan Mebrahtu; Lykknes, Annette; Kvittingen, Lise

    2017-01-01

    In theory, practical work is an established part of university-level chemistry courses. However, mainly due to budget constraints, large class size, time constraints and inadequate teacher preparations, practical activities are frequently left out from chemistry classroom instruction in most developing countries. Small-scale chemistry (SSC)…

  18. Studies in chemical dynamics and radiation chemistry. Technical progress report, 1 July 1974--30 June 1975

    International Nuclear Information System (INIS)

    Kuppermann, A.

    1975-01-01

    Research progress in the following areas is reported: low energy electron scattering; photoelectron spectrometry; elementary reactions by photolysis at variable wavelengths; collisions in crossed molecular beams; and, diffusion kinetics in the radiation chemistry of water. Publications related to the work are included. (JGB)

  19. Small scale tests on the progressive retreat of soil slopes

    Science.gov (United States)

    Voulgari, Chrysoula; Utili, Stefano; Castellanza, Riccardo

    2015-04-01

    In this paper, the influence due to the presence of cracks on the morphologic evolution of natural cliffs subject to progressive retreat induced by weathering is investigated through small scale laboratory tests. Weathering turns hard rocks into soft rocks that maintain the structure of the intact rocks, but are characterised by higher void ratios and reduced bond strengths; soft rocks are transformed into granular soils generally called residual soils. A number of landslides develop in slopes due to weathering which results in the progressive retrogression of the slope face and the further degradation within the weathering zone. Cracks, that are widely present, can be a result of weathering and they can cause a significant decrease in their stability, as they provide preferential flow channels which increase the soil permeability and decrease the soil strength. The geological models employed until now are mainly empirical. Several researchers have tried to study the stability of slopes through experimental procedures. Centrifuge modelling is widely used to investigate the failure of slopes. Small scale tests are also an important approach, in order to study the behaviour of a slope under certain conditions, such as the existence of water, as they allow the observation of the infiltration processes, the movement of the weathering front, deformation and failure. However, the deformation response of a slope subject to weathering is not yet thoroughly clarified. In this work, a set of experiments were conducted to investigate weathering induced successive landslides. Weathering was applied to the slope model by wetting the slope crest through a rainfall simulator device. The moisture content of the soil during the tests was monitored by soil moisture sensors that were buried inside the slope model. High resolution cameras were recording the behaviour of the slope model. GeoPIV was used to analyse the frames and obtain the deformations of the slope model during the

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

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1992-01-01

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

  1. 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)

  2. Exploratory Factor Analysis Study for the Scale of High School Students' Attitudes towards Chemistry

    Science.gov (United States)

    Demircioglu, Gökhan; Aslan, Aysegül; Yadigaroglu, Mustafa

    2014-01-01

    It is important to develop students' positive attitudes chemistry lessons in school because research has suggested that attitudes are linked with academic achievement. Therefore, how to evaluate the attitudes is an important topic in education. The purpose of this study was to develop a Likert-type scale that could measure high school students'…

  3. Analytical Chemistry Division annual progress report: For period ending December 31, 1987

    International Nuclear Information System (INIS)

    1988-05-01

    This report is divided into analytical spectroscopy; radioactive materials analysis; inorganic chemistry; organic chemistry; ORNL environmental programs; quality assurance, safety, and training; supplementary activities; and presentation of research results

  4. Progress report, Chemistry and Materials Division, April 1 to June 30, 1978

    International Nuclear Information System (INIS)

    1978-07-01

    Provisional research results are reported in the general areas of ion beam-radiation interactions with metals, radiation chemistry, hydrogen isotope exchange, analytical chemistry, and zirconium alloy properties. (E.C.B.)

  5. Progress report, Chemistry and Materials Division, July 1 to September 30, 1976

    International Nuclear Information System (INIS)

    Preliminary results are reported on research into ion penetration, electron microscopy, radiation damage and metal physics, analytical chemistry, radiation chemistry, basic corrosion studies and isotope separation techniques. (O.T.)

  6. Progress report, Chemistry and Materials Division, October 1 to December 31, 1977

    International Nuclear Information System (INIS)

    1978-01-01

    Research results are reported on the interaction of ion beams with solids, radiation chemistry, hydrogen isotope exchange, surface science, analytical chemistry, and properties of zirconium and its alloys. (E.C.B.)

  7. Analytical Chemistry Division annual progress report: For period ending December 31, 1987

    Energy Technology Data Exchange (ETDEWEB)

    1988-05-01

    This report is divided into analytical spectroscopy; radioactive materials analysis; inorganic chemistry; organic chemistry; ORNL environmental programs; quality assurance, safety, and training; supplementary activities; and presentation of research results.

  8. Progress report, Chemistry and Materials Division, 1 April to 30 June, 1979

    International Nuclear Information System (INIS)

    1979-07-01

    Research results are reported by groups investigating ion penetration, nuclear methods of analysis, accelerator operation, general analytical chemistry, radoactivity measurement, deuterium analysis, electrochemistry, mass spectrometry and fuel analysis, radiation chemistry and laser photochemistry, hydrogen-water exchange, isotope chemistry, surface chemistry, and electron microscopy. Work in an associated laboratory at the University of Toronto on isotopic changes in reaction rates is reported. (L.L.)

  9. Developing Technical Writing Skills in the Physical Chemistry Laboratory: A Progressive Approach Employing Peer Review

    Science.gov (United States)

    Gragson, Derek E.; Hagen, John P.

    2010-01-01

    Writing formal "journal-style" lab reports is often one of the requirements chemistry and biochemistry students encounter in the physical chemistry laboratory. Helping students improve their technical writing skills is the primary reason this type of writing is a requirement in the physical chemistry laboratory. Developing these skills is an…

  10. Progress report, Chemistry and Materials Division, April 1 to June 30, 1977

    International Nuclear Information System (INIS)

    1977-07-01

    Research results are reported in such areas as ion penetration, electron microscopy, metal physics and radiation damage, nuclear methods of analysis, fuel analysis, and general analytical chemistry, electrochemistry, radiation chemistry, hydrogen-deuterium exchange, and surface chemistry of nuclear materials like zirconium base alloys. (E.C.B.)

  11. Progress report, Chemistry and Materials Division, January 1 to March 31, 1976

    International Nuclear Information System (INIS)

    1976-05-01

    Interim results are reported in research fields roughly classified as ion penetration, electron microscopy, radiation damage and metal physics, nuclear methods of analysis, analytical chemistry, deuterium separation, radioactivity measurement, radiation and isotope chemistry, and surface chemistry and metal physics, primarily of zirconium alloys. (E.C.B.)

  12. Progress report, Chemistry and Materials Division, January 1 to March 31, 1977

    International Nuclear Information System (INIS)

    1977-04-01

    Results are described of research on ion penetration, electron microscopy, radiation damage and metal physics, nuclear methods of analysis, computer calculating methods, analytical chemistry, deuterium exchange, radioactivity measurement, electrochemistry, mass spectrometry and fuel analysis, radiation chemistry, surface chemistry, and properties of zirconium base alloys. (E.C.B.)

  13. Chemistry Division annual progress report for period ending April 30, 1993

    Energy Technology Data Exchange (ETDEWEB)

    Poutsma, M.L.; Ferris, L.M.; Mesmer, R.E.

    1993-08-01

    The Chemistry Division conducts basic and applied chemical research on projects important to DOE`s missions in sciences, energy technologies, advanced materials, and waste management/environmental restoration; it also conducts complementary research for other sponsors. The research are arranged according to: coal chemistry, aqueous chemistry at high temperatures and pressures, geochemistry, chemistry of advanced inorganic materials, structure and dynamics of advanced polymeric materials, chemistry of transuranium elements and compounds, chemical and structural principles in solvent extraction, surface science related to heterogeneous catalysis, photolytic transformations of hazardous organics, DNA sequencing and mapping, and special topics.

  14. Nuclear chemistry research. Progress report, November 1, 1974--October 31, 1975

    International Nuclear Information System (INIS)

    Sugarman, N.; Turkevich, A.

    1975-01-01

    The major effort in the high-energy nuclear chemistry program was the study of cross sections and kinematic properties of products formed from the interaction of 1- to 300-GeV protons with heavy- (Bi and U) and medium-mass (Cu, Ag) nuclei. The products studied ranged in mass from approximately 20 to that of the target nucleus. Except in the case of near-target product nuclei (ΔA approximately 10 to 20), no substantial change in cross section or recoil properties was observed at 300 GeV from those measured at 11.5 GeV. New experiments are in progress to relate the production mechanisms of selected products to fundamental particle interactions and the production of exotic particles. Extensive preparations were made for another experiment to be performed soon at higher intensity on the search for polyneutron aggregates at the LAMPF Accelerator. Work is continuing on the use of stable isotope tracers (methane-20 and 21) for the study of long-range transport and diffusion phenomena in the atmosphere. A collaborative effort on the study of extraterrestrial objects (meteorites and lunar samples) is continuing. The work has involved correlations among trace and minor elements, the evolution of the lunar regolith, differentiation of lunar magmas, and a study of lunar agglutinates

  15. Analytical Chemistry Division annual progress report for period ending December 31, 1982

    International Nuclear Information System (INIS)

    Lyon, W.S.

    1983-05-01

    The Analytical Chemistry Dvision of Oak Ridge National laboratory (ORNL) serves a multitude of functions for a clientele that exists both in and outside ORNL. These functions fall into the following general categories: (1) analytical research, development, and implementation; (2) programmatic research, development, and utilization; and (3) technical support. The Division is organized into five major sections, each of which may carry out any type of work falling in the three categories mentioned above. Chapters 1 through 5 of this report highlight progress within the five sections (analytical methodology, mass and emission spectrometry, radioactive materials, bio/organic analysis, and general and environmental analysis) during the period January 1, 1982 to December 31, 1982. A short summary introduces each chapter to indicate work scope. Information about quality assurance and safety programs is presented in Chapter 6, along with a tabulation of analyses rendered. Publications, oral presentations, professional activities, educational programs, and seminars are cited in Chapters 7 and 8. Approximately 61 articles, 32 proceedings publications and 37 reports have been published, and 107 oral presentations were given during this reporting period

  16. Chemistry Division progress report for the period January 1, 1977 - December 31, 1980

    International Nuclear Information System (INIS)

    Moorthy, P.N.; Ramshesh, V.; Yakhmi, J.V.

    1981-01-01

    The research and development work of the Chemistry Division of the Bhabha Atomic Research Centre, Bombay, during the period 1977-1980 is reported in the form of individual summaries under the headings: basic research including radiation chemistry, photochemistry, kinetic and electrochemical studies, ion exchange and sorption behaviour, chemistry of metal complexes (in particular, of uranium complexes), radiation damage in solids, heterogeneous catalysts, studies in magnetism, physical properties, solid state studies, theoretical studies, reactor related programmes (including reactor chemistry, lubricants and sealants, surface studies, water chemistry), applied research and development (including materials development, purification and analytical techniques, apolied radiation chemistry etc.), and instrumentation. Work of service facilities such as workshop, analytical se services, and repair and maintenance of instruments is described. Lists of training programmes, staff publications and divisional seminars, are given. At the end a sectionwise list of staff members is also given. (M.G.B.)

  17. Development and Validation of Chemistry Self-Efficacy Scale for College Students

    Science.gov (United States)

    Uzuntiryaki, Esen; Çapa Aydın, Yeşim

    2009-08-01

    This study described the process of developing and validating the College Chemistry Self-Efficacy Scale (CCSS) that can be used to assess college students’ beliefs in their ability to perform essential tasks in chemistry. In the first phase, data collected from 363 college students provided evidence for the validity and reliability of the new scale. Three dimensions emerged: self-efficacy for cognitive skills, self-efficacy for psychomotor skills, and self-efficacy for everyday applications. In the second phase, data collected from an independent sample of 353 college students confirmed the factorial structure of the 21-item CCSS. The Cronbach alpha coefficients ranged from 0.82 to 0.92. In addition, each dimension of the CCSS had moderate and significant correlations with student chemistry achievement and differentiated between major and non-major students. Followed by the additional validation studies, the CCSS will serve as a valuable tool for both instructors and researchers in science education to assess college students’ chemistry self-efficacy beliefs.

  18. Chemistry research and development. Research and development semiannual progress report, January--June 1977

    International Nuclear Information System (INIS)

    Miner, F.J.

    1977-01-01

    Results of investigations and developmental activities are reported in chemical research, component research, instrumental and statistical systems, pilot plant research, and process chemistry and instrumentation

  19. Chemistry research and development. Research and development semiannual progress report, January--June 1977

    Energy Technology Data Exchange (ETDEWEB)

    Miner, F.J.

    1977-10-21

    Results of investigations and developmental activities are reported in chemical research, component research, instrumental and statistical systems, pilot plant research, and process chemistry and instrumentation. (JRD)

  20. Chemistry {ampersand} Materials Science progress report summary of selected research and development topics, FY97

    Energy Technology Data Exchange (ETDEWEB)

    Newkirk, L.

    1997-12-01

    This report contains summaries of research performed in the Chemistry and Materials Science division. Topics include Metals and Ceramics, High Explosives, Organic Synthesis, Instrument Development, and other topics.

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

    Science.gov (United States)

    Scully, John R

    2015-01-01

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

  2. Student Conceptions about Energy Transformations: Progression from General Chemistry to Biochemistry

    Science.gov (United States)

    Wolfson, Adele J.; Rowland, Susan L.; Lawrie, Gwendolyn A.; Wright, Anthony H.

    2014-01-01

    Students commencing studies in biochemistry must transfer and build on concepts they learned in chemistry and biology classes. It is well established, however, that students have difficulties in transferring critical concepts from general chemistry courses; one key concept is "energy." Most previous work on students' conception of energy…

  3. Progress report, Chemistry and Materials Division, April 1 to June 30, 1976

    International Nuclear Information System (INIS)

    1976-07-01

    Preliminary results are reported on research covering such topics as ion penetration, electron microscopy, radiation damage and metal physics, nuclear methods of analysis, analytical chemistry, hydrogen-deuterium exchange, radiation chemistry, and corrosion (primarily of zirconium alloys). (E.C.B.)

  4. Analytical Chemistry Division annual progress report for period ending December 31, 1990

    Energy Technology Data Exchange (ETDEWEB)

    1991-04-01

    The Analytical Chemistry Division has programs in inorganic mass spectrometry, optical spectroscopy, organic mass spectrometry, and secondary ion mass spectrometry. It maintains a transuranium analytical laboratory and an environmental analytical laboratory. It carries out chemical and physical analysis in the fields of inorganic chemistry, organic spectroscopy, separations and synthesis. (WET)

  5. Workshop report on large-scale matrix diagonalization methods in chemistry theory institute

    Energy Technology Data Exchange (ETDEWEB)

    Bischof, C.H.; Shepard, R.L.; Huss-Lederman, S. [eds.

    1996-10-01

    The Large-Scale Matrix Diagonalization Methods in Chemistry theory institute brought together 41 computational chemists and numerical analysts. The goal was to understand the needs of the computational chemistry community in problems that utilize matrix diagonalization techniques. This was accomplished by reviewing the current state of the art and looking toward future directions in matrix diagonalization techniques. This institute occurred about 20 years after a related meeting of similar size. During those 20 years the Davidson method continued to dominate the problem of finding a few extremal eigenvalues for many computational chemistry problems. Work on non-diagonally dominant and non-Hermitian problems as well as parallel computing has also brought new methods to bear. The changes and similarities in problems and methods over the past two decades offered an interesting viewpoint for the success in this area. One important area covered by the talks was overviews of the source and nature of the chemistry problems. The numerical analysts were uniformly grateful for the efforts to convey a better understanding of the problems and issues faced in computational chemistry. An important outcome was an understanding of the wide range of eigenproblems encountered in computational chemistry. The workshop covered problems involving self- consistent-field (SCF), configuration interaction (CI), intramolecular vibrational relaxation (IVR), and scattering problems. In atomic structure calculations using the Hartree-Fock method (SCF), the symmetric matrices can range from order hundreds to thousands. These matrices often include large clusters of eigenvalues which can be as much as 25% of the spectrum. However, if Cl methods are also used, the matrix size can be between 10{sup 4} and 10{sup 9} where only one or a few extremal eigenvalues and eigenvectors are needed. Working with very large matrices has lead to the development of

  6. Progress report on nuclear science and technology in China (Vol.3). Proceedings of academic annual meeting of China Nuclear Society in 2013, No.4--Nuclear chemistry and radiation chemistry sub-volume

    International Nuclear Information System (INIS)

    2014-05-01

    Progress report on nuclear science and technology in China (Vol. 3) includes 24 articles which are communicated on the third national academic annual meeting of China Nuclear Society. There are 10 books totally. This is the fourth one, the content is about Nuclear chemistry and radiation chemistry sub-volume

  7. Net Community Metabolism and Seawater Carbonate Chemistry Scale Non-intuitively with Coral Cover

    Directory of Open Access Journals (Sweden)

    Heather N. Page

    2017-05-01

    Full Text Available Coral cover and reef health have been declining globally as reefs face local and global stressors including higher temperature and ocean acidification (OA. Ocean warming and acidification will alter rates of benthic reef metabolism (i.e., primary production, respiration, calcification, and CaCO3 dissolution, but our understanding of community and ecosystem level responses is limited in terms of functional, spatial, and temporal scales. Furthermore, dramatic changes in coral cover and benthic metabolism could alter seawater carbonate chemistry on coral reefs, locally alleviating or exacerbating OA. This study examines how benthic metabolic rates scale with changing coral cover (0–100%, and the subsequent influence of these coral communities on seawater carbonate chemistry based on mesocosm experiments in Bermuda and Hawaii. In Bermuda, no significant differences in benthic metabolism or seawater carbonate chemistry were observed for low (40% and high (80% coral cover due to large variability within treatments. In contrast, significant differences were detected between treatments in Hawaii with benthic metabolic rates increasing with increasing coral cover. Observed increases in daily net community calcification and nighttime net respiration scaled proportionally with coral cover. This was not true for daytime net community organic carbon production rates, which increased the most between 0 and 20% coral cover and then less so between 20 and 100%. Consequently, diel variability in seawater carbonate chemistry increased with increasing coral cover, but absolute values of pH, Ωa, and pCO2 were not significantly different during daytime. To place the results of the mesocosm experiments into a broader context, in situ seawater carbon dioxide (CO2 at three reef sites in Bermuda and Hawaii were also evaluated; reefs with higher coral cover experienced a greater range of diel CO2 levels, complementing the mesocosm results. The results from this study

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

    International Nuclear Information System (INIS)

    1982-08-01

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

  9. Development of a MELCOR Sodium Chemistry (NAC) Package - FY17 Progress.

    Energy Technology Data Exchange (ETDEWEB)

    Louie, David [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Humphries, Larry L. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2018-02-01

    This report describes the status of the development of MELCOR Sodium Chemistry (NAC) package. This development is based on the CONTAIN-LMR sodium physics and chemistry models to be implemented in MELCOR. In the past three years, the sodium equation of state as a working fluid from the nuclear fusion safety research and from the SIMMER code has been implemented into MELCOR. The chemistry models from the CONTAIN-LMR code, such as the spray and pool fire mode ls, have also been implemented into MELCOR. This report describes the implemented models and the issues encountered. Model descriptions and input descriptions are provided. Development testing of the spray and pool fire models is described, including the code-to-code comparison with CONTAIN-LMR. The report ends with an expected timeline for the remaining models to be implemented, such as the atmosphere chemistry, sodium-concrete interactions, and experimental validation tests .

  10. Progress report, Chemistry and Materials Division, October 1 to December 31, 1976

    International Nuclear Information System (INIS)

    1977-01-01

    A summary is given of research largely centering around radiation effects on materials, radiation and analytical chemistry, surface studies, and materials science, esp. zirconium base alloys and their problems and properties in nuclear service. (E.C.B.)

  11. Progress report: Chemistry and Materials Division, 1983 January 1 - June 30

    International Nuclear Information System (INIS)

    1983-08-01

    The research progams in solid state science, analytical and physical chemistry and materials science are outlined for the first half of 1983. Studies are being carried out in the areas of surface science, isotope separation and irradiation effects on zirconium

  12. Chemistry

    International Nuclear Information System (INIS)

    Ferris, L.M.

    1975-01-01

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

  13. American Chemical Society, 75 years of progress, Division of Environmental Chemistry, preprints of papers

    International Nuclear Information System (INIS)

    Anon.

    1988-01-01

    The 196th ACS meeting was held in the Los Angeles September 25-30, 1988. The Division of Environmental Chemistry presented symposia on the following topics: data analysis procedures for trace constituents and toxic compounds, photochemical oxidants and their precursors, ionizing radiation in drinking water, environmental chemistry of dyes, biogeochemistry of CO 2 and the greenhouse effect, and biological markers of environmental contaminants. Abstracts are included for 151 papers

  14. Measuring restoration progress using pore- and surface-water chemistry across a chronosequence of formerly afforested blanket bogs.

    Science.gov (United States)

    Gaffney, Paul P J; Hancock, Mark H; Taggart, Mark A; Andersen, Roxane

    2018-08-01

    During the restoration of degraded bogs and other peatlands, both habitat and functional recovery can be closely linked with nutrient cycling, which is reflected in pore- and surface-water chemistry. Several peatland restoration studies have shown that the time required for recovery of target conditions is slow (>10 years); for heavily-impacted, drained and afforested peatlands of northern Scotland, recovery time is unknown. We monitored pore- and surface-water chemistry across a chronosequence of formerly drained, afforested bog restoration sites spanning 0-17 years, using a space-for-time substitution, and compared them with open blanket bog control sites. Our aims were to measure rate of recovery towards bog conditions and to identify the best suite of water chemistry variables to indicate recovery. Our results show progress in recovery towards bog conditions over a 0-17 year period post-restoration. Elements scavenged by trees (Mg, Na, S) completely recovered within that period. Many water chemistry variables were affected by the restoration process itself, but recovered within 11 years, except ammonium (NH 4 + ), Zn and dissolved organic carbon (DOC) which remained elevated (when compared to control bogs) 17 years post restoration. Other variables did not completely recover (water table depth (WTD), pH), exhibiting what we term "legacy" effects of drainage and afforestation. Excess N and a lowered WTD are likely to slow the recovery of bog vegetation including key bog plants such as Sphagnum mosses. Over 17 years, we measured near-complete recovery in the chemistry of surface-water and deep pore-water but limited progress in shallow pore-water. Our results suggest that at least >17 years are required for complete recovery of water chemistry to bog conditions. However, we expect that newer restoration methods including conifer harvesting (stem plus brash) and the blocking of plough furrows (to increase the WTD) are likely to accelerate the restoration process

  15. Applied Chemistry Division progress report for the period 1990-1992

    International Nuclear Information System (INIS)

    Bharadwaj, S.R.; Kishore, K.; Ramshesh, V.

    1993-01-01

    The report covers the research and development (R and D) activities of the Applied Chemistry Division for the period January 1990 to December, 1992. R and D programmes of the Division are formulated to study the chemical aspects related to nuclear power plants and heavy water plants. The Division also gives consultancy to DAE units and outside agencies on water chemistry problems. The thrust areas of the Division's R and D programmes are : decontamination of nuclear facilities, metal water interaction of the materials used in PHT system, chemistry of soluble poisons, biofouling and its control in cooling water circuits, and treatment of cooling waters. Other major R and D activities are in the areas of: solid state reactions and high temperature thermodynamics, primary coolant water chemistry, speciation studies in metal amine systems, high temperature aqueous radiation chemistry. The Division was engaged in studies in novel areas such as dental implants, remote sealing of pipes in MS pipes, and cold fusion. The Division also designed and fabricated instruments like the Knudsen cell mass spectrometer, calorimeters and developed required software. All these R and D activities are reported in the form of individual summaries. A list of publications from the Division and a list of the staff members of the Division are given at the end of the report. (author). tabs., figs., appendices

  16. Applied Chemistry Division progress report for the period 1993-1995

    Energy Technology Data Exchange (ETDEWEB)

    Naik, D. B.; Ramshesh, V.; Wani, B. N. [eds.; Bhabha Atomic Research Centre, Mumbai (India). Applied Chemistry Div.

    1997-09-01

    The report covers the research and development (R and D) activities of the Applied Chemistry Division for the period January 1993 to December 1995. This period is marked by important contributions pertaining to the R and D programmes on chemistry aspects related to nuclear power stations. The thrust areas of the Division`s R and D programmes are : chemical decontamination of nuclear reactor systems, metal-water interactions relevant to the Nuclear Power Stations and other industrial units of the Department, biofouling and its control in cooling water circuits and cooling water treatment. Other major research programmes are in the areas of radiation chemistry, solid state reactions and thermodynamic studies aimed at reactor applications. refs., 9 tabs., 1 fig.

  17. Progress in the medicinal chemistry of silicon: C/Si exchange and beyond.

    Science.gov (United States)

    Fujii, Shinya; Hashimoto, Yuichi

    2017-04-01

    Application of silyl functionalities is one of the most promising strategies among various 'elements chemistry' approaches for the development of novel and distinctive drug candidates. Replacement of one or more carbon atoms of various biologically active compounds with silicon (so-called sila-substitution) has been intensively studied for decades, and is often effective for alteration of activity profile and improvement of metabolic profile. In addition to simple C/Si exchange, several novel approaches for utilizing silicon in medicinal chemistry have been suggested in recent years, focusing on the intrinsic differences between silicon and carbon. Sila-substitution offers great potential for enlarging the chemical space of medicinal chemistry, and provides many options for structural development of drug candidates.

  18. Applied Chemistry Division progress report for the period 1993-1995

    International Nuclear Information System (INIS)

    Naik, D.B.; Ramshesh, V.; Wani, B.N.

    1997-01-01

    The report covers the research and development (R and D) activities of the Applied Chemistry Division for the period January 1993 to December 1995. This period is marked by important contributions pertaining to the R and D programmes on chemistry aspects related to nuclear power stations. The thrust areas of the Division's R and D programmes are : chemical decontamination of nuclear reactor systems, metal-water interactions relevant to the Nuclear Power Stations and other industrial units of the Department, biofouling and its control in cooling water circuits and cooling water treatment. Other major research programmes are in the areas of radiation chemistry, solid state reactions and thermodynamic studies aimed at reactor applications. refs., 9 tabs., 1 fig

  19. Large-scale photochemical reactions of nanocrystalline suspensions: a promising green chemistry method.

    Science.gov (United States)

    Veerman, Marcel; Resendiz, Marino J E; Garcia-Garibay, Miguel A

    2006-06-08

    Photochemical reactions in the solid state can be scaled up from a few milligrams to 10 grams by using colloidal suspensions of a photoactive molecular crystal prepared by the solvent shift method. Pure products are recovered by filtration, and the use of H(2)O as a suspension medium makes this method a very attractive one from a green chemistry perspective. Using the photodecarbonylation of dicumyl ketone (DCK) as a test system, we show that reaction efficiencies in colloidal suspensions rival those observed in solution. [reaction: see text

  20. 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)

  1. Progress report chemistry and materials division 1984 January 1 - June 30

    International Nuclear Information System (INIS)

    1984-08-01

    During the first half of 1984 work in the Chemistry and Materials Division of Chalk River Nuclear Laboratories concentrated on studies of ion penetration phenomena, surface phenomena, radiation damage, radiochemical analysis, recycle fuel analysis, gamma spectrometry, mass spectrometry of fuels and moderators, analysis of hydrogen in zirconium alloys, burnup analysis, radiolysis, hydrogen isotope separation, hydrogen adsorption, zirconium corrosion, and metal physics studies of zirconium

  2. Nuclear chemistry project. Progress report, January 1, 1978--December 31, 1978

    International Nuclear Information System (INIS)

    Naumann, R.A.

    1978-01-01

    Research on the nuclear chemistry project is summarized including Coulomb capture of negative muons by atoms and molecules, nuclear structure and spectroscopy, and the preparation and use of radioactive targets both to study the internal electric fields acting on the nuclei of foreign atoms introduced in metallic solids by radioactive decay and determination of nuclear moments by optical hyperfine spectroscopy

  3. Organometallic chemistry of bimetallic compounds. Progress report, January 1992--July 1995

    International Nuclear Information System (INIS)

    Casey, C.P.

    1994-07-01

    Four main projects at the interface between organometallic chemistry and homogeneous catalysis were pursued. All were designed to give increased understanding of the mechanisms of organometallic reactions related to homogeneous and heterogeneous catalysis. In addition, a minor study involving η 5 -to η 1 -cyclopentadienyl ring slippage in catalysis was completed

  4. Organometallic chemistry of bimetallic compounds. Progress report, January 1992--July 1995

    Energy Technology Data Exchange (ETDEWEB)

    Casey, C.P.

    1994-07-01

    Four main projects at the interface between organometallic chemistry and homogeneous catalysis were pursued. All were designed to give increased understanding of the mechanisms of organometallic reactions related to homogeneous and heterogeneous catalysis. In addition, a minor study involving {eta}{sup 5}-to {eta}{sup 1}-cyclopentadienyl ring slippage in catalysis was completed.

  5. Teaching Chemistry in a Spiral Progression Approach: Lessons from Science Teachers in the Philippines

    Science.gov (United States)

    Orbe, Joymie R.; Espinosa, Allen A.; Datukan, Janir T.

    2018-01-01

    As the Philippines moves towards implementing the K-12 curriculum, there has been a mismatch in teacher preparation in science. The present teacher education curriculum prepares science teachers to specialise in a specific field (e.g. integrated science, biology, chemistry, and physics). However, in the K-12 curriculum, they are required to teach…

  6. Analytical Chemistry Division annual progress report for period ending December 31, 1979

    International Nuclear Information System (INIS)

    Shults, W.D.; Lyon, W.S.

    1980-05-01

    The progress is reported in the following sections: analytical methodology, mass and emission spectrometry, technical support, bio-organic analysis, nuclear and radiochemical analysis, and quality assurance

  7. Analytical Chemistry Division annual progress report for period ending December 31, 1979

    Energy Technology Data Exchange (ETDEWEB)

    Shults, W.D.; Lyon, W.S. (ed.)

    1980-05-01

    The progress is reported in the following sections: analytical methodology, mass and emission spectrometry, technical support, bio-organic analysis, nuclear and radiochemical analysis, and quality assurance. (DLC)

  8. Progression of radical reactions on microscopic scale in food emulsions

    DEFF Research Database (Denmark)

    Raudsepp, Piret

    Understanding the progression of lipid oxidation in oil-in-water emulsions from the aspect of the food quality and safety, consumer satisfaction and cleaner food label is of importance, because most of the food emulsions are oil-in-water emulsions. There is an increasing tendency in the food...... industry to incorporate unsaturated oils into food products, but that results in shortened shelf-life. Therefore, studying the factors and consequences of the oxidative instability provides beneficial insight into prolonging the antioxidative stage and inhibiting undergoing oxidation processes to improve...... the food quality and increase the shelflife of the food products. In the present work, lipid oxidation in oil-in-water emulsions was studied via conventional analytical and via novel state-of-the-art techniques. For the first time, the effect of mixing emulsions made of saturated medium-chain triglyceride...

  9. Progress in Long Scale Length Laser-Plasma Interactions

    International Nuclear Information System (INIS)

    Glenzer, S H; Arnold, P; Bardsley, G; Berger, R L; Bonanno, G; Borger, T; Bower, D E; Bowers, M; Bryant, R; Buckman, S.; Burkhart, S C; Campbell, K; Chrisp, M P; Cohen, B I; Constantin, G; Cooper, F; Cox, J; Dewald, E; Divol, L; Dixit, S; Duncan, J; Eder, D; Edwards, J; Erbert, G; Felker, B; Fornes, J; Frieders, G; Froula, D H; Gardner, S D; Gates, C; Gonzalez, M; Grace, S; Gregori, G; Greenwood, A; Griffith, R; Hall, T; Hammel, B A; Haynam, C; Heestand, G; Henesian, M; Hermes, G; Hinkel, D; Holder, J; Holdner, F; Holtmeier, G; Hsing, W; Huber, S; James, T; Johnson, S; Jones, O S; Kalantar, D; Kamperschroer, J H; Kauffman, R; Kelleher, T; Knight, J; Kirkwood, R K; Kruer, W L; Labiak, W; Landen, O L; Langdon, A B; Langer, S; Latray, D; Lee, A; Lee, F D; Lund, D; MacGowan, B; Marshall, S; McBride, J; McCarville, T; McGrew, L; Mackinnon, A J; Mahavandi, S; Manes, K; Marshall, C; Mertens, E; Meezan, N; Miller, G; Montelongo, S; Moody, J D; Moses, E; Munro, D; Murray, J; Neumann, J; Newton, M; Ng, E; Niemann, C; Nikitin, A; Opsahl, P; Padilla, E; Parham, T; Parrish, G; Petty, C; Polk, M; Powell, C; Reinbachs, I; Rekow, V; Rinnert, R; Riordan, B; Rhodes, M.

    2003-01-01

    The first experiments on the National Ignition Facility (NIF) have employed the first four beams to measure propagation and laser backscattering losses in large ignition-size plasmas. Gas-filled targets between 2 mm and 7 mm length have been heated from one side by overlapping the focal spots of the four beams from one quad operated at 351 nm (3ω) with a total intensity of 2 x 10 15 W cm -2 . The targets were filled with 1 atm of CO 2 producing of up to 7 mm long homogeneously heated plasmas with densities of n e = 6 x 10 20 cm -3 and temperatures of T e = 2 keV. The high energy in a NIF quad of beams of 16kJ, illuminating the target from one direction, creates unique conditions for the study of laser plasma interactions at scale lengths not previously accessible. The propagation through the large-scale plasma was measured with a gated x-ray imager that was filtered for 3.5 keV x rays. These data indicate that the beams interact with the full length of this ignition-scale plasma during the last ∼1 ns of the experiment. During that time, the full aperture measurements of the stimulated Brillouin scattering and stimulated Raman scattering show scattering into the four focusing lenses of 6% for the smallest length (∼2 mm). increasing to 12% for ∼7 mm. These results demonstrate the NIF experimental capabilities and further provide a benchmark for three-dimensional modeling of the laser-plasma interactions at ignition-size scale lengths

  10. Phase chemistry of tank sludge residual components. 1998 annual progress report

    International Nuclear Information System (INIS)

    Brady, P.V.; Krumhansl, J.L.; Liu, J.; Nagy, K.L.

    1998-01-01

    'The proposed research will provide a scientific basis for predicting the long-term fate of radionuclides remaining with the sludge in decommissioned waste tanks. Nuclear activities in the United States and elsewhere produce substantial volumes of highly radioactive semi-liquid slurries that traditionally are stored in large underground tanks while final waste disposal strategies are established. Although most of this waste will eventually be reprocessed a contaminated structure will remain which must either be removed or decommissioned in place. To accrue the substantial savings associated with in-place disposal will require a performance assessment which, in turn, means predicting the leach behavior of the radionuclides associated with the residual sludges. The phase chemistry of these materials is poorly known so a credible source term cannot presently be formulated. Further, handling of actual radioactive sludges is exceedingly cumbersome and expensive. This proposal is directed at: (1) developing synthetic nonradioactive sludges that match wastes produced by the various fuel processing steps, (2) monitoring the changes in phase chemistry of these sludges as they age, and (3) relating the mobility of trace amounts of radionuclides (or surrogates) in the sludge to the phase changes in the aging wastes. This report summarizes work carried out during the first year of a three year project. A prerequisite to performing a meaningful study was to learn in considerable detail about the chemistry of waste streams produced by fuel reprocessing. At Hanford this is not a simple task since over the last five decades four different reprocessing schemes were used: the early BiPO 4 separation for just Pu, the U recovery activity to further treat wastes left by the BiPO 4 activities, the REDOX process and most recently, the PUREX processes. Savannah River fuel reprocessing started later and only PUREX wastes were generated. It is the working premise of this proposal that most

  11. Radiation chemistry of plastic crystals. Annual progress report, November 1, 1976--October 31, 1977

    International Nuclear Information System (INIS)

    Klingen, T.J.

    1977-01-01

    The overall purpose of this investigation is the understanding of the role that mesomorphism plays in the radiation chemistry of plastic crystals. In approaching this problem, the first step is to obtain data on the basic radiation chemistry of the most ordered solid state--the crystalline state. Thus, the results reported here are concerned with determination of the radiolysis of three plastic crystals in their highest ordered state. In addition to these studies, investigation of the optical properties and the positron life time properties of these materials in their plastic crystalline state was undertaken. The primary purpose of these studies during the current reporting period was the determination of the feasibility of these techniques to provide useful information to the overall project goal

  12. Fundamental chemistry, characterization, and separation of technetium complexes in Hanford waste. 1998 annual progress report

    International Nuclear Information System (INIS)

    Ashley, K.R.; Blanchard, D.L. Jr.; Schroeder, N.C.

    1998-01-01

    'The ultimate goal of this proposal is to separate technetium from Hanford tank waste. The recent work has shown that a large portion of the technetium is not pertechnetate (TcO 4 - ) and is not easily oxidized. This has serious repercussions for technetium partitioning schemes because they are designed to separate this chemical form. Rational attempts to oxidize these species to TcO 4 - for processing or to separate the non-pertechnetate species themselves would be facilitated by knowing the identity of these complexes and understanding their fundamental chemistry. Tank characterization work has not yet identified any of the non-pertechnetate species. However, based on the types of ligands available and the redox conditions in the tank, a reasonable speculation can be made about the types of species that may be present. Thus, this proposal will synthesize and characterize the relevant model complexes of Tc(III), Tc(IV), and Tc(V) that may have formed under tank waste conditions. Once synthesized, these complexes will be used as standards for developing and characterizing the non-pertechnetate species in actual waste using instrumental techniques such as capillary electrophoresis electrospray mass spectrometry (CE-MS), x-ray absorbance spectroscopy (EXAFS and XANES), and multi-nuclear NMR (including 99 Tc NMR). The authors study the redox chemistry of the technetium complexes so that more efficient and selective oxidative methods can be used to bring these species to TcO 4 - for processing purposes. They will also study their ligand substitution chemistry which could be used to develop separation methods for non-pertechnetate species. Understanding the fundamental chemistry of these technetium complexes will enable technetium to be efficiently removed from the Hanford tank waste and help DOE to fulfill its remediation mission. This report summarizes the first 8 months of a 3-year project.'

  13. Development status of nuclear power in China and fundamental research progress on PWR primary water chemistry in China

    International Nuclear Information System (INIS)

    Wu, Xinqiang; Liu, Xiahe; Han, En-Hou; Ke, Wei; Xu, Yuming

    2015-01-01

    China's non-fossil fuels are expected to reach 20% in primary energy ratio by 2030. It is urgent for China to speed up the development of nuclear power to increase energy supply, reduce gas emissions and optimize resource allocation. Chinese government slowed down the approval of new nuclear power plant (NPP) projects after Fukushima accident in 2011. At the end of 2012, the State Council approved the nuclear safety program and adjusted long-term nuclear power development plan (2011-2020), the new NPP's projects have been restarted. In June 2015, there are 23 operating units in mainland in China with total installed capacity of about 21.386 GWe; another 26 units are under construction with total installed capacity of 28.5 GWe. The main type of reactors in operation and under construction in China is pressurized water reactor (PWR), including the first AP1000 NPPs in the world (units 1 in Sanmen) and China self-developed Hualong one NPPs (units 5 and 6 in Fuqing). Currently, China's nuclear power development is facing historic opportunities and also a series of challenges. One of the most important is the safety and economy of nuclear power. The optimization of primary water chemistry is one of the most effective ways to minimize radiation field, mitigate material degradation and maintain fuel performance in PWR NPPs, which is also a preferred path to achieve both safety and economy for operating NPPs. In recent years, an increased attention has been paid to fundamental research and engineering application of PWR primary water chemistry in China. The present talk mainly consists of four parts: (1) development status of China's nuclear power industry; (2) safety of nuclear power and operating water chemistry; (3) fundamental research progress on Zn-injected water chemistry in China; (4) summary and future. (author)

  14. Radiation chemistry of hydrocarbon and alkyl halide systems. Progress report, August 1, 1982-July 31, 1983

    International Nuclear Information System (INIS)

    Hanrahan, R.J.

    1983-01-01

    Experimental work was in progress during the past year on three systems: investigation of gas phase OH radical reactions using the pulse radiolysis method; studies of the radiolytic oxidation of propane; and an investigation of photochemistry and mass spectrometry of CF 3 I-CH 3 I mixtures. In addition, data analysis and interpretation of previously obtained results on H 2 /CO systems was under way. Progress made in these areas is described

  15. Nuclear-chemistry research and spectroscopy with radioactive sources. Eighteenth annual progress report

    International Nuclear Information System (INIS)

    Fink, R.W.

    1982-01-01

    Progress is reported on nuclear spectroscopy studies including lifetimes of the g/sub 7/2/ shell-model intruder states in 107 109 Ag, lifetime of the new /sup 187m/Au isomer, the decay of 187 Au - 187 Pt, decay of /sup 201m,g/Po, 203 At, and 125 Ba, and L-shell orbital EC probability and decay energy in 207 Bi decay. Also progress on nuclear model calculations of nuclear structure is reported

  16. Developing A Renewable Energy Awareness Scale For Pre-service Chemistry Teachers

    Directory of Open Access Journals (Sweden)

    Soner YAVUZ

    2006-01-01

    Full Text Available Developing A Renewable Energy Awareness Scale For Pre-service Chemistry Teachers Inci MORGIL Nilgün SECKEN A. Seda YUCEL Ozge OZYALCIN OSKAY Soner YAVUZ and Evrim URAL Hacettepe University, Faculty of Education, Department of Chemistry Education, 06800 Beytepe, Ankara, TURKEY ABSTRACT In times when human beings used to live in a natural environment, their needs were also provided by natural resources. With the increases in population in time, human beings started to look for new resources willing to get “the more” and “the fastest”. Just like the invention of steam, firstly, they increased the density of the resources and produced “more” energy. However, instead of working on the density of water, which spreads with the solar energy, they chose an easier way, which was fuel that produced more energy when burnt. Unfortunately, the damages these fuel products create in the atmosphere and environment shaded their benefits. It did not take so long for the earth to run out of energy resources and to threaten environmental and human health. As a result of that, new energy resources were started to be sought and the studies enlightened the concepts of sustainable, renewable energy. Renewable energy is defined as “the energy source, which continues its existence for the following days within the evolution of nature”. Educators pointed out a need in students for gaining consciousness on renewable energy resources. In the light of the importance of renewable and sustainable energy, a “Renewable Energy Awareness Scale” that questioned to what extent the individuals were aware of renewable energy was developed. The Renewable Energy Awareness Scale, which consisted of 50 items, was administered as a pilot study. The factor analysis concluded with a scale of 39 items with a reliability coefficient of 0.944 was developed.

  17. Cold molecules: Progress in quantum engineering of chemistry and quantum matter

    Science.gov (United States)

    Bohn, John L.; Rey, Ana Maria; Ye, Jun

    2017-09-01

    Cooling atoms to ultralow temperatures has produced a wealth of opportunities in fundamental physics, precision metrology, and quantum science. The more recent application of sophisticated cooling techniques to molecules, which has been more challenging to implement owing to the complexity of molecular structures, has now opened the door to the longstanding goal of precisely controlling molecular internal and external degrees of freedom and the resulting interaction processes. This line of research can leverage fundamental insights into how molecules interact and evolve to enable the control of reaction chemistry and the design and realization of a range of advanced quantum materials.

  18. Analytical Chemistry Division annual progress report for period ending December 31, 1992

    Energy Technology Data Exchange (ETDEWEB)

    Shults, W.D.

    1993-04-01

    This report is divided into: Analytical spectroscopy (optical spectroscopy, organic mass spectrometry, inorganic mass spectrometry, secondary ion mass spectrometry), inorganic and radiochemistry (transuranium and activation analysis, low-level radiochemical analysis, inorganic analysis, radioactive materials analysis, special projects), organic chemistry (organic spectroscopy, separations and synthesis, special projects, organic analysis, ORNL/UT research program), operations (quality assurance/quality control, environmental protection, safety, analytical improvement, training, radiation control), education programs, supplementary activities, and presentation of research results. Tables are included for articles reviewed or refereed for periodicals, analytical service work, division manpower and financial summary, and organization chart; a glossary is also included.

  19. An Unprecedented Revolution in Medicinal Chemistry Driven by the Progress of Biological Science.

    Science.gov (United States)

    Chou, Kuo-Chen

    2017-01-01

    The eternal or ultimate goal of medicinal chemistry is to find most effective ways to treat various diseases and extend human beings' life as long as possible. Human being is a biological entity. To realize such an ultimate goal, the inputs or breakthroughs from the advances in biological science are no doubt most important that may even drive medicinal science into a revolution. In this review article, we are to address this from several different angles. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

  20. 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.

  1. Industrial scale salt-free reactive dyeing of cationized cotton fabric with different reactive dye chemistry.

    Science.gov (United States)

    Nallathambi, Arivithamani; Venkateshwarapuram Rengaswami, Giri Dev

    2017-10-15

    Dyeing of knitted cotton goods in the industry has been mostly with reactive dyes. Handling of salt laden coloured effluent arising out of dyeing process is one of the prime concerns of the industry. Cationization of cotton is one of the effective alternative to overcome the above problem. But for cationization to be successful at industrial scale it has to be carried out by exhaust process and should be adoptable for the various dye chemistries currently practiced in the industry. Hence, in the present work, industrial level exhaust method of cationization process was carried out with concentration of 40g/L and 80g/L. The fabrics were dyed with dyes of three different dye chemistry and assessed for its dyeing performance without the addition of salt. Dye shades ranging from medium to extra dark shades were produced without the addition of salt. This study will provide industries the recipe that can be adopted for cationized cotton fabric for the widely used reactive dyes at industrial level. Copyright © 2017 Elsevier Ltd. All rights reserved.

  2. Progress report, Chemistry and Materials Division: 1982 October 1 -December 31

    International Nuclear Information System (INIS)

    1983-02-01

    Solid state studies included work on the trapping vacancies of Au atoms by the backscattering-channeling method, and investigation into mixing across interfaces resulting from heavy ion bombardment. In radiation chemistry, computer simulations of nitrogen atom yield from radiolysis of N 2 -O 2 mixtures were found to agree with experiment. Surface science research included studies of temporal oscillations in the kinetics of oxidation of carbon monoxide over the (100) face of single-crystal platinum. In analytical chemistry, research projects included the determination of thorium-230 in ores, use of a high specific activity methyl bromide tracer in commercial applications, determination of burnup in (Th,U)0 2 fuels using HPLC, and development of a simple and quick means to determine D 2 0 content of water grab samples at CANDU sites using a small soft-bulb hydrometer. Materials science studies included experiments on true incubation time for stress-corrosion cracking in iodine vapour, examination of hydrogen contents of fuel cladding from bundles with failed pins, and studies of initiation of ΣnodularΣ corrosion of fuel cladding in high-temperature steam

  3. Progress report, Chemistry and Materials Division: 1982 July 1 - September 30

    International Nuclear Information System (INIS)

    1982-10-01

    During the third quarter of 1982, work in solid state studies included study of energy spectra of Auger electrons from a silicon single crystal, use of an excimer laser to anneal an aluminum crystal implanted with iron atoms, studies of defects created by helium ion irradiation of a dilute copper-indium alloy crystal, and computer simulations of ion channeling in a platinum crystal surface. Work in radiation chemistry on the enhancement of water calorimetry sensitivity continued. A surface science program to understand the temporal oscillations in the oxidation of carbon monoxide over platinum continued with the study of the interaction of oxygen with the (100) crystallographic face of platinum. Studies in analytical chemistry included a comparison of fuel burnup results using 145 Nd + 146 Nd and 148 Nd, and a preliminary investigation into methods of reduction of U(VI) to U(IV), particularly electrolytic reduction. Materials science work continued on the fracture surfaces of Exel alloys cracked in hydrogen gas, the true incubation time for stress corrosion cracking in cesium-cadmium vapour mixtures, evidence for a previously unknown hexagonal phase of germanium, growth experiments in the DIDO reactor on swaged single-crystals, and examination of the first zirconium specimen purified by electrotransport in the CRNL equipment

  4. Radiation chemistry of hydrocarbon and alkyl halide systems. Progress report, August 1, 1977--August 1, 1978

    International Nuclear Information System (INIS)

    Hanrahan, R.J.

    1978-01-01

    Progress of experimental work is reported on pulse radiolysis of simple alkyl halides in the gas phase, gas phase radiolysis of CHF 3 -CH 3 I mixtures, gamma radiolysis of the system CO/H 2 , and improvements in equipment and facilities

  5. Analytical Chemistry Division annual progress report for period ending December 31, 1984

    International Nuclear Information System (INIS)

    Lyon, W.S.

    1985-04-01

    Progress reports are presented for the following sections: analytical methodology; mass and emission spectroscopy; radioactive materials analysis; bio/organic analysis; and general and environmental analysis; quality assurance, safety, and tabulation analyses. In addition a list of publications and oral presentations and supplemental activities are included

  6. Analytical Chemistry Division annual progress report for period ending December 31, 1983

    International Nuclear Information System (INIS)

    Lyon, W.S.

    1984-05-01

    Progress and activities are reported in: analytical methodology, mass and emission spectrometry, radioactive materials analysis, bio/organic analysis, general and environmental analysis, and quality assurance and safety. Supplementary activities are also discussed, and a bibliography of publications is also included

  7. Chemistry of gaseous lower-valent actinide halides. Technical progress report

    International Nuclear Information System (INIS)

    Hildenbrand, D.L.

    1984-01-01

    Objective is to provide thermochemical data for key actinide halide and oxyhalide systems. Progress is reported on bond dissociation energies of gaseous ThCl 4 , ThCl 3 , ThCl 2 , and ThCl; bond dissociation energies of ruthenium fluorides; and mass spectroscopy of UF 6

  8. Analytical Chemistry Division annual progress report for period ending December 31, 1984

    Energy Technology Data Exchange (ETDEWEB)

    Lyon, W.S. (ed.)

    1985-04-01

    Progress reports are presented for the following sections: analytical methodology; mass and emission spectroscopy; radioactive materials analysis; bio/organic analysis; and general and environmental analysis; quality assurance, safety, and tabulation analyses. In addition a list of publications and oral presentations and supplemental activities are included.

  9. Analytical Chemistry Division annual progress report for period ending December 31, 1983

    Energy Technology Data Exchange (ETDEWEB)

    Lyon, W.S. (ed.)

    1984-05-01

    Progress and activities are reported in: analytical methodology, mass and emission spectrometry, radioactive materials analysis, bio/organic analysis, general and environmental analysis, and quality assurance and safety. Supplementary activities are also discussed, and a bibliography of publications is also included. (DLC)

  10. Atomic Scale Structure-Chemistry Relationships at Oxide Catalyst Surfaces and Interfaces

    Science.gov (United States)

    McBriarty, Martin E.

    Oxide catalysts are integral to chemical production, fuel refining, and the removal of environmental pollutants. However, the atomic-scale phenomena which lead to the useful reactive properties of catalyst materials are not sufficiently understood. In this work, the tools of surface and interface science and electronic structure theory are applied to investigate the structure and chemical properties of catalytically active particles and ultrathin films supported on oxide single crystals. These studies focus on structure-property relationships in vanadium oxide, tungsten oxide, and mixed V-W oxides on the surfaces of alpha-Al2O3 and alpha-Fe2O 3 (0001)-oriented single crystal substrates, two materials with nearly identical crystal structures but drastically different chemical properties. In situ synchrotron X-ray standing wave (XSW) measurements are sensitive to changes in the atomic-scale geometry of single crystal model catalyst surfaces through chemical reaction cycles, while X-ray photoelectron spectroscopy (XPS) reveals corresponding chemical changes. Experimental results agree with theoretical calculations of surface structures, allowing for detailed electronic structure investigations and predictions of surface chemical phenomena. The surface configurations and oxidation states of V and W are found to depend on the coverage of each, and reversible structural shifts accompany chemical state changes through reduction-oxidation cycles. Substrate-dependent effects suggest how the choice of oxide support material may affect catalytic behavior. Additionally, the structure and chemistry of W deposited on alpha-Fe 2O3 nanopowders is studied using X-ray absorption fine structure (XAFS) measurements in an attempt to bridge single crystal surface studies with real catalysts. These investigations of catalytically active material surfaces can inform the rational design of new catalysts for more efficient and sustainable chemistry.

  11. Recent progress in orbital-free density functional theory (recent advances in computational chemistry)

    CERN Document Server

    Wesolowski, Tomasz A

    2013-01-01

    This is a comprehensive overview of state-of-the-art computational methods based on orbital-free formulation of density functional theory completed by the most recent developments concerning the exact properties, approximations, and interpretations of the relevant quantities in density functional theory. The book is a compilation of contributions stemming from a series of workshops which had been taking place since 2002. It not only chronicles many of the latest developments but also summarises some of the more significant ones. The chapters are mainly reviews of sub-domains but also include original research. Readership: Graduate students, academics and researchers in computational chemistry. Atomic & molecular physicists, theoretical physicists, theoretical chemists, physical chemists and chemical physicists.

  12. Progress report, Chemistry and Materials Division 1 July - 30 September, 1981

    International Nuclear Information System (INIS)

    1981-11-01

    The work of the division in the areas of solid state physics, chemistry and materials science over the quarter is described. The solid state science branch has worked on crystal defect formation after ion beam irradiation. Laser isotope separation methods have produced visible amounts of water enriched 2000-fold in deuterium. Work has been done on hydrogen isotope exchange in H 2 -methanol mixtures. Nitrogen impurities in Xe-133 can be determined down to the microgram level. A new apparatus for the determination of hydrogen in zirconium has been assembled. Coatings of stainless steels on zircaloy fuel cladding continue to offer protection against oxidation. Agreement has been obtained between computer-simulated and observed electron microscope images of irradiated titanium. Cold-worked zirconium has been studied under helium ion bombardment

  13. [Research progress and trend analysis of biology and chemistry of Taxus medicinal resources].

    Science.gov (United States)

    Hao, Da-Cheng; Xiao, Pei-Gen; Peng, Yong; Liu, Ming; Huo, Li

    2012-07-01

    Taxus is the source plant of anti-cancer drug paclitaxel and its biosynthetic precursor, analogs and derivatives, which has been studying for decades. There are many endemic Taxus species in China, which have been studied in the field of multiple disciplines. Based on the recent studies of the researchers, this review comments on the study of Taxus biology and chemistry. The bibliometric method is used to quantify the global scientific production of Taxus-related research, and identify patterns and tendencies of Taxus-related articles. Gaps are present in knowledge about the genomics, epigenomics, transcriptomics, proteomics, metabolomics and bioinformatics of Taxus and their endophytic fungi. Systems biology and various omics technologies will play an increasingly important role in the coming decades.

  14. Research in nuclear chemistry. Progress report, March 1, 1976--February 28, 1977

    International Nuclear Information System (INIS)

    1976-01-01

    The study of the binding of actinide ions by the humic and fulvic acid fractions of humus soil has been initiated. Comparison of the thermodynamics of binding of actinides by these soil fractions with the analogous data for a variety of monomer ligands of the type expected to be present in humic acid may enable us to derive a useful model for actinide sorption by humus soils. Inasmuch as humus constitutes a large fraction of the soils of the world, development of a model for its binding of actinide ions could be most helpful in understanding the environmental chemistry of the actinide elements. Our investigation of the binding of the actinide ions by these soil fractions has been coupled with a study of the protonation thermodynamics of humic acid in order to provide a more full characterization of these materials

  15. High temperature chemistry. Progress report, 1 November 1974--31 October 1975

    International Nuclear Information System (INIS)

    Gilles, P.W.

    1975-01-01

    Activities are described under the topics of education; publications and talks;research progress highlights; space and facilities; level of activity; and miscellaneous. Current research is reported for the high temperature thermodynamics and vaporization of the titanium oxides, the vaporization of the rare-earth borides, the phase studies on the Zr-Nb-O system, the studies on high-molecular weight inorganic species, and the kinetic studies on high-temperature vaporization processes

  16. Reaction Scale and Green Chemistry: Microscale or Macroscale, Which is Greener?

    Science.gov (United States)

    Duarte, Rita C. C.; Ribeiro, M. Gabriela T. C.; Machado, Adelio A. S. C.

    2017-01-01

    The different ways microscale and green chemistry allow reducing the deleterious impacts of chemistry on human health and the environment are discussed in terms of their different basic paradigms: green chemistry follows the ecologic paradigm and microscale the risk paradigm. A study of the synthesis of 1-bromobutane at macro- ? microscale (109.3…

  17. Adapting to large-scale changes in Advanced Placement Biology, Chemistry, and Physics: the impact of online teacher communities

    Science.gov (United States)

    Frumin, Kim; Dede, Chris; Fischer, Christian; Foster, Brandon; Lawrenz, Frances; Eisenkraft, Arthur; Fishman, Barry; Jurist Levy, Abigail; McCoy, Ayana

    2018-03-01

    Over the past decade, the field of teacher professional learning has coalesced around core characteristics of high quality professional development experiences (e.g. Borko, Jacobs, & Koellner, 2010. Contemporary approaches to teacher professional development. In P. L. Peterson, E. Baker, & B. McGaw (Eds.), International encyclopedia of education (Vol. 7, pp. 548-556). Oxford: Elsevier.; Darling-Hammond, Hyler, & Gardner, 2017. Effective teacher professional development. Palo Alto, CA: Learning Policy Institute). Many countries have found these advances of great interest because of a desire to build teacher capacity in science education and across the full curriculum. This paper continues this progress by examining the role and impact of an online professional development community within the top-down, large-scale curriculum and assessment revision of Advanced Placement (AP) Biology, Chemistry, and Physics. This paper is part of a five-year, longitudinal, U.S. National Science Foundation-funded project to study the relative effectiveness of various types of professional development in enabling teachers to adapt to the revised AP course goals and exams. Of the many forms of professional development our research has examined, preliminary analyses indicated that participation in the College Board's online AP Teacher Community (APTC) - where teachers can discuss teaching strategies, share resources, and connect with each other - had positive, direct, and statistically significant association with teacher self-reported shifts in practice and with gains in student AP scores (Fishman et al., 2014). This study explored how usage of the online APTC might be useful to teachers and examined a more robust estimate of these effects. Findings from the experience of AP teachers may be valuable in supporting other large-scale curriculum changes, such as the U.S. Next Generation Science Standards or Common Core Standards, as well as parallel curricular shifts in other countries.

  18. 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.

  19. Progress report, Chemistry and Materials Division, July 1 to September 30, 1975

    International Nuclear Information System (INIS)

    1975-10-01

    Studies of x-rays produced by ion-penetration confirming the view that target and host atoms participate in two-collision sequences are reported along with related studies of K x-rays observed when projectile ions are lighter than target atoms. The latter observation was not expected on the basis of current theory and is the first experimental evidence for radial coupling in asymmetric heavy ion collisions. A computer simulation model yielding good agreement with experimental observations on the planar dechanneling process is described. Research on the chemistry of alkali metals in amine solutions showing improved accord between results of pulse radiolysis, optical spectroscopy and electron spin resonance is described. Preliminary measurements of kinetic isotope effects in the reaction between methanol and bromine in the presence of weak visible light are discussed. Studies on the influence of adsorbed gases on electronic energy levels of atoms in the surface layers of catalytically active metals are summarized. Oxidation studies on Zr 3 Al and crystal bar zirconium are also reported. (O.T.)

  20. Recent progress and developments in lithium cobalt phosphate chemistry- Syntheses, polymorphism and properties

    Science.gov (United States)

    Ludwig, Jennifer; Nilges, Tom

    2018-04-01

    This review summarizes the development, investigation, and optimization of polymorphic lithium cobalt phosphate LiCoPO4. One of the three polymorphs known to date, olivine-type or Pnma-LiCoPO4, shows intriguing electrochemical properties as a high-voltage cathode material, which are of interest for next-generation lithium-ion batteries with higher energy density. Hence, scientists have developed optimization strategies to improve its performance for commercial applications. Herein, a number of procedures for the synthesis of Pnma-LiCoPO4 is presented, including thermodynamic as well as kinetically controlled approaches. The continuous improvement of its electrochemical performance is illustrated, which was realized by the development of solvothermal techniques that allow a precise particle size and morphology control. In the course of these investigations, two new polymorphs, Pna21-LiCoPO4 and Cmcm-LiCoPO4, have been discovered which show different physical and structural properties compared to Pnma-LiCoPO4. Despite their significantly poorer electrochemical performance, these polymorphs allow interesting insights into the variable structure chemistry of transition-metal phosphates, which canalizes in intriguing magnetic and thermal properties. The similarities and differences in the chemical and physical properties of Pnma-LiCoPO4, Pna21-LiCoPO4, and Cmcm-LiCoPO4 are discussed.

  1. Progress report, Chemistry and Materials Division, October 1 to December 31, 1978

    International Nuclear Information System (INIS)

    1979-01-01

    Recent experiments have been successful in showing that molecular orbital radiation is polarized. Further experiments with both nitrogen-nitrous oxide and nitrogen-oxygen mixtures have failed to resolve the discrepancy in the yield of excited nitrogen atoms formed in the radiolysis of nitrogen. An equation describing the observed relationship between the average number of photons absorbed by a molecule in a laser field and the energy fluence of the laser has been derived. A computer program is being written which calculates nuclear magnetic resonance spectrometer lineshapes for intermolecular hydrogen isotope exchange. Two absorption states of oxygen on the (111) crystal face of platinum have been observed and characterized by changes in work function and thermal desorption spectroscopy. Inductively-coupled plasma (ICP) emission spectroscopy is being utilized in the total sample analysis of XL-alloy, a zirconium-tin-niobium-molybdenum alloy for which no certified standard exists. The analytical chemistry facilities set up to support the mixed oxide fuel fabrication line are functioning satisfactorily. The existence of a high-velocity hydrogen-induced cracking process has been confirmed for zirconium alloys exposed to gaseous hydrogen at room temperature. Positron annihilation studies on neutron-irradiated zirconium have been interpreted as implying that radiation damage at 375 K is in the form of isolated crystal lattice vacancies rather than vacancy clusters. (OST)

  2. Progress report: Chemistry and Materials Division, 1982 January 1 to March 31

    International Nuclear Information System (INIS)

    1982-06-01

    Solid state studies in this period included observations of annealing of irradiation damage in Ni-In and Al-Sn alloys. Extensive experiments on the radiation chemistry of nitrogen-oxygen mixtures have been completed enabling comparisons to be made with calculations based on physical data. The program MAKSIMA-CHEMIST has been used to calculate the effects of variables such as concentration of dissolved gases on the accuracy of water calorimeters. Work in laser photochemistry continued with measurement of the infrared spectra of methylamine with and without deuterium substituted for the amino-hydrogens. Spectroscopic data for chemical species involved in laser isotope separation processes are being taken by laser magnetic resonance spectroscopy Improvements in detection of anions separated on columns of styrenedivinylbenzene with hydrophobic modifiers have been achieved by use of conductivity detection in place of ultraviolet absorption. The accuracy of the inert gas fusion method for measuring hydrogen in zirconium was verified. Research on zirconium alloys continued with work on gaseous hydrogen cracking, metal vapor embrittlement, nodular corrosion, and irradiation with helium ions at elevated temperatures

  3. Progress report, Chemistry and Materials Division, 1 April - 30 June, 1981

    International Nuclear Information System (INIS)

    1981-08-01

    The work of the Division in the areas of solid state science, radiation, physical and analytical chemistry, and materials science during the quarter is described. Measurements of ion stopping power have emphasized the importance of axial symmetry and may be used to show the contribution of nuclear inelastic events to stopping processes. Enhancement of ion scattering at 180 degrees can occur even in the first few layers of a single crystal of gold implanted with heavy atoms. Agreement has been obtained between experimental and calculated rates for dechanneling of protons in gold. The rate of decomposition of HOI in aqueous solutions has been determined. The effects of radiation on dithiothreitol is being studied. Laser photochemistry work includes investigations of multiphoton dissociation and of laser-induced zirconium isotope separation. A method has been found for the preparation of oxygen gas samples for the determination of oxygen isotope ratios in water, and high-performance liquid chromatography has been applied to metals in ground water. Sputtered coatings of stainless steel on the surface of zircaloy fuel cladding reduce the oxidation rate in steam. A theoretically-based design equation for irradiation growth of pressure tubes has been developed. Studies on the effect of small strains on zircaloy-2 tubing show the need to avoid even small amounts of compressive deformation of calandria tubes

  4. Progress report, Chemistry and Materials Division, 1 October - 31 December, 1980

    International Nuclear Information System (INIS)

    1981-02-01

    Experiments with aluminum-indium single crystals in which the indium atoms occupy interstitial positions have enabled the first direct measurements of ion flux gradients to be made for a particular channel. A search is being carried out for tri-, tetra-, and hexa-vacancy clusters centered on interstitial indium or tin atoms in irradiated copper single crystal alloys. Work on hydrogen and helium ion scattering at keV energies from tungsten and tungsten oxide. Research is being carried out on dithiothreitol in aqueous solution with nitrate ion to improve understanding of the radiation chemistry of sulphydryl compounds. A short pulse carbon dioxide laser is being used in experiments on the multiphoton absorption and decomposition of alcohols. The separation factor for isotope exchange between heavy water and hydrogen gas has been measured as a function of temperature from 5 to 95 0 C. A procedure has been developed for the determination of gadolinium, samarium, europium and dysprosium at levels down to 10 -7 g.g -1 in ThO 2 by emission spectroscopy. It is now possible to determine uranium with high precision and accuracy in 2 percent uranium-thorium dioxide fuel by controlled potential coulometry. It has been shown that cracking of Zr-2.5 percent Nb in hydrogen gas is not pressure-dependent. The solubility of tin in zirconium has been studied. (L.L.)

  5. Progress in the chemistry of chromium(V) doping agents used in polarized target materials

    International Nuclear Information System (INIS)

    Krumpolc, M.; Hill, D.; Struhrmann, H.B.

    1990-01-01

    We wish to report progress in two areas of the chromium (V)-based doping agents: Two commonly used chromium (V) complexes, I and II, have been synthesized in perdeuterated form (i.e., all hydrogens replaced by deuterium). They are sodium bis(2-ethyl-2-deuteroxy-butyrato)oxochromate(V)monodeuterate, IV, (acronym EDBA-Cr(V)), and sodium bis(2-deuteroxy-2-methylpropionato)oxochromate(V), III, (acronym DMPA-Cr(V)). A synthetic route leading to the preparation of stable, chromium(III)-free solutions of chromium(V) in diols (1,2-ethanediol/ethylene glycol/and 1,2-propanediol/propylene glycol/) has been outlined

  6. PubChemQC Project: A Large-Scale First-Principles Electronic Structure Database for Data-Driven Chemistry.

    Science.gov (United States)

    Nakata, Maho; Shimazaki, Tomomi

    2017-06-26

    Large-scale molecular databases play an essential role in the investigation of various subjects such as the development of organic materials, in silico drug design, and data-driven studies with machine learning. We have developed a large-scale quantum chemistry database based on first-principles methods. Our database currently contains the ground-state electronic structures of 3 million molecules based on density functional theory (DFT) at the B3LYP/6-31G* level, and we successively calculated 10 low-lying excited states of over 2 million molecules via time-dependent DFT with the B3LYP functional and the 6-31+G* basis set. To select the molecules calculated in our project, we referred to the PubChem Project, which was used as the source of the molecular structures in short strings using the InChI and SMILES representations. Accordingly, we have named our quantum chemistry database project "PubChemQC" ( http://pubchemqc.riken.jp/ ) and placed it in the public domain. In this paper, we show the fundamental features of the PubChemQC database and discuss the techniques used to construct the data set for large-scale quantum chemistry calculations. We also present a machine learning approach to predict the electronic structure of molecules as an example to demonstrate the suitability of the large-scale quantum chemistry database.

  7. Fenton chemistry-based detemplation of an industrially relevant microcrystalline beta zeolite. Optimization and scaling-up studies

    NARCIS (Netherlands)

    Ortiz-Iniesta, Maria Jesus; Melian-Cabrera, Ignacio

    A mild template removal of microcrystalline beta zeolite, based on Fenton chemistry, was optimized. Fenton detemplation was studied in terms of applicability conditions window, reaction rate and scale up. TGA and CHN elemental analysis were used to evaluate the detemplation effectiveness, while 'CP,

  8. Chemistry research and development. Annual progress report, November 1, 1979-October 31, 1980

    International Nuclear Information System (INIS)

    Miner, F.J.

    1981-01-01

    Chemistry R and D is involved in a number of programs. These programs include process support to Rocky Flats production operations, development of pyrochemical processes for plutonium recovery and purification in addition to integration of these processes into production, actinide separation research, determination of thermodynamic properties of plutonium and plutonium compounds, preparation of special alloys for use in radiochemical tracer programs, development of processes for decontaminating plutonium and plutonium compounds, preparation of special alloys for use in radiochemical tracer programs, development of processes for decontaminating plutonium-contaminated soils, characterization of the surfaces of various metals, and investigating the mechanisms and kinetics of the plutonium-hydrogen-oxygen systems. Some specific highlights for the report period include the following: (1) as part of the ongoing soil decontamination program at Rocky Flats, a site survey was completed in which data on contaminated soils in the United States were assembled and a set of soil contamination criteria was proposed to govern the disposition of effluent soil fractions from a soil decontamination process; (2) a series of disks were prepared for a Radiochemical Diagnostic Tracer Program from plutonium-242 and from an alloy of cerium and americium-241; (3) a material balance around past and current americium recovery processes was completed; (4) the technical feasibility of the pyroredox process was established for purification of plutonium in a tilt-pour furnace; and (5) in the continuing investigation of the plutonium-hydrogen system, it was shown that the kinetics of the hydriding of plutonium in a powder form is proportional to the hydrogen pressure below a pressure of 1000 Pa and is independent of the hydrogen pressure above 1000 Pa

  9. Laboratory studies on tropospheric iodine chemistry: bridging the atomic, molecular and particle scale

    Science.gov (United States)

    Gomez Martin, J.; Saunders, R. W.; Blitz, M. A.; Mahajan, A. S.; Plane, J. M.

    2008-12-01

    High mixing ratios of the iodine oxides IO and OIO have been observed in the polar, mid-latitude and tropical marine boundary layer (MBL). The impact of the iodine chemistry on the oxidizing capacity of the MBL is well documented. Moreover, there is evidence showing that the bursts of new particles measured in coastal regions are produced by the biogenic emission of iodine containing precursors, followed by the photochemical production and condensation of iodine oxide vapours. Airborne measurements of particle growth rates show that these particles can reach significant sizes where they can contribute to the regional aerosol loading, thus suggesting a potential impact on climate on a regional or global scale. Within the frame of the INSPECT project (INorganic Secondary Particle Evolution, Chemistry and Transport) we wish to understand at a fundamental level the tendency for the iodine oxides formed from IO and OIO recombination to condense into particles. Elemental analysis of iodine oxide particles (IOP) made in the laboratory shows that they have the empirical formula I2O5. The major question is how this happens: through formation of I2O5 in the gas phase, followed by polymerization, or by condensation of various IxOy to form amorphous iodine oxides, which subsequently rearrange to I2O5. We are studying the gas phase photochemistry leading to nucleation of IOP, their growth kinetics, aspects of their heterogeneous chemistry, and their properties as ice condensation nuclei. In order to bridge the molecular and the particle scales, a wide variety of techniques are being used, including CRDS, ARAS, LIF, UV-VIS spectroscopy, PI-TOF-MS and mobility particle size scanning. The results obtained so far provide new and interesting insights to the problem. From the gas phase point of view, a unit iodine atom quantum yield from OIO photolysis has been now established across its strong visible spectral bands. This result implies a short lifetime of OIO and explains why in

  10. Atomic-scale simulation of dust grain collisions: Surface chemistry and dissipation beyond existing theory

    Science.gov (United States)

    Quadery, Abrar H.; Doan, Baochi D.; Tucker, William C.; Dove, Adrienne R.; Schelling, Patrick K.

    2017-10-01

    The early stages of planet formation involve steps where submicron-sized dust particles collide to form aggregates. However, the mechanism through which millimeter-sized particles aggregate to kilometer-sized planetesimals is still not understood. Dust grain collision experiments carried out in the environment of the Earth lead to the prediction of a 'bouncing barrier' at millimeter-sizes. Theoretical models, e.g., Johnson-Kendall-Roberts and Derjaguin-Muller-Toporov theories, lack two key features, namely the chemistry of dust grain surfaces, and a mechanism for atomic-scale dissipation of energy. Moreover, interaction strengths in these models are parameterized based on experiments done in the Earth's environment. To address these issues, we performed atomic-scale simulations of collisions between nonhydroxylated and hydroxylated amorphous silica nanoparticles. We used the ReaxFF approach which enables modeling chemical reactions using an empirical potential. We found that nonhydroxylated nanograins tend to adhere with much higher probability than suggested by existing theories. By contrast, hydroxylated nanograins exhibit a strong tendency to bounce. Also, the interaction between dust grains has the characteristics of a strong chemical force instead of weak van der Waals forces. This suggests that the formation of strong chemical bonds and dissipation via internal atomic vibration may result in aggregation beyond what is expected based on our current understanding. Our results also indicate that experiments should more carefully consider surface conditions to mimic the space environment. We also report results of simulations with molten silica nanoparticles. It is found that molten particles are more likely to adhere due to viscous dissipation, which supports theories that suggest aggregation to kilometer scales might require grains to be in a molten state.

  11. Air-chemistry "turbulence": power-law scaling and statistical regularity

    Directory of Open Access Journals (Sweden)

    H.-m. Hsu

    2011-08-01

    Full Text Available With the intent to gain further knowledge on the spectral structures and statistical regularities of surface atmospheric chemistry, the chemical gases (NO, NO2, NOx, CO, SO2, and O3 and aerosol (PM10 measured at 74 air quality monitoring stations over the island of Taiwan are analyzed for the year of 2004 at hourly resolution. They represent a range of surface air quality with a mixed combination of geographic settings, and include urban/rural, coastal/inland, plain/hill, and industrial/agricultural locations. In addition to the well-known semi-diurnal and diurnal oscillations, weekly, and intermediate (20 ~ 30 days peaks are also identified with the continuous wavelet transform (CWT. The spectra indicate power-law scaling regions for the frequencies higher than the diurnal and those lower than the diurnal with the average exponents of −5/3 and −1, respectively. These dual-exponents are corroborated with those with the detrended fluctuation analysis in the corresponding time-lag regions. These exponents are mostly independent of the averages and standard deviations of time series measured at various geographic settings, i.e., the spatial inhomogeneities. In other words, they possess dominant universal structures. After spectral coefficients from the CWT decomposition are grouped according to the spectral bands, and inverted separately, the PDFs of the reconstructed time series for the high-frequency band demonstrate the interesting statistical regularity, −3 power-law scaling for the heavy tails, consistently. Such spectral peaks, dual-exponent structures, and power-law scaling in heavy tails are important structural information, but their relations to turbulence and mesoscale variability require further investigations. This could lead to a better understanding of the processes controlling air quality.

  12. Nuclear chemistry research and spectroscopy with radioactive sources. Nineteenth annual progress report

    International Nuclear Information System (INIS)

    Fink, R.W.

    1983-01-01

    Our effort is centered on radioactive decay studies of far-from-stable nuclides produced with heavy ions from the Holifield Heavy Ion Research Facility (HHIRF) and studied on-line with the University Isotope Separator at Oak Ridge (UNISOR). Progress is reported on the following studies: lifetime of the g/sub 7/2/ level in 109 Ag; halflife of the h/sub 9/2/ level in 187 Au; decay of 8.4 min 187 Au → 187 Pt; orbital EC probabilities and decay energy of 207 Bi; decay of 9 min /sup 201m/Po and 16 min /sup 201g/Po; decay of 2.5 min 125 Ba; decay of 7.4 min 203 At; exploration of neutron-deficient Sm, Pm, and Nd nuclides; preparation of thoron active deposit conversion electron sources; inception of nuclear laser spectroscopy at UNISOR; and nuclear structure calculations with nuclear models. Publications are listed

  13. Synthesis, chemistry and catalytic activity of complexes of lanthanide and actinide metals in unusual oxidation states and coordination environments. Progress report, February 1, 1979-January 31, 1980

    International Nuclear Information System (INIS)

    Evans, W.J.

    1979-10-01

    The new synthetic and catalytic reactions involving lanthanide metals which were discovered in the first years of this project have been examined in more detail in the past year. Synthetic and catalytic model systems have been theoretically developed and experimental testing of these hypotheses is in progress. New techniques are being applied to the lanthanide metals to further elucidate the chemistry of these complexes

  14. Sequential Progressions in a Theory-of-Mind Scale: Longitudinal Perspectives

    Science.gov (United States)

    Wellman, Henry M.; Fang, Fuxi; Peterson, Candida C.

    2011-01-01

    Consecutive retestings of 92 U.S. preschoolers (n = 30), Chinese preschoolers (n = 31), and deaf children (n = 31) examined whether the sequences of development apparent in cross-sectional results with a theory-of-mind scale also appeared in longitudinal assessment. Longitudinal data confirmed that theory-of-mind progressions apparent in…

  15. Reliability and sensitivity of visual scales versus volumetry for evaluating white matter hyperintensity progression

    DEFF Research Database (Denmark)

    Gouw, A A; van der Flier, W M; van Straaten, E C W

    2008-01-01

    the reliability and sensitivity of cross-sectional and longitudinal visual scales with volumetry for measuring WMH progression. METHODS: Twenty MRI scan pairs (interval 2 years) were included from the Amsterdam center of the LADIS study. Semi-automated volumetry of WMH was performed twice by one rater. Three...

  16. Large-scale separation of single-walled carbon nanotubes by electronic type using click chemistry

    Science.gov (United States)

    Um, Jo-Eun; Song, Sun Gu; Yoo, Pil J.; Song, Changsik; Kim, Woo-Jae

    2018-01-01

    Single-walled carbon nanotubes (SWCNTs) can be either metallic or semiconducting, making their separation critical for applications in nanoelectronics, biomedical materials, and solar cells. Herein, we investigate a novel solution-phase separation method based on click chemistry (azide-alkyne Huisgen cycloaddition) and determine its efficiency and scalability. In this method, metallic SWCNTs in metallic/semiconducting SWCNT mixtures are selectively functionalized with alkyne groups by being reacted with 4-propargyloxybenezenediazonium tetrafluoroborate. Subsequently, silica nanoparticles are functionalized with azide groups and reacted with alkyne-bearing metallic SWCNTs in the SWCNT mixture in the presence of a Cu catalyst. As a result, metallic SWCNTs are anchored on silica powder, whereas non-functionalized semiconducting SWCNTs remain in solution. Low-speed centrifugation effectively removes the silica powder with attached metallic SWCNTs, furnishing a solution of highly pure semiconducting SWCNTs, as confirmed by Raman and UV-vis/near-infrared absorption measurements. This novel separation scheme exhibits the advantage of simultaneously separating both metallic and semiconducting SWCNTs from their mixtures, being cost-effective and therefore applicable at an industrial scale.

  17. Progress report Chemistry and Materials Division, 1 April - 30 June, 1980

    International Nuclear Information System (INIS)

    1980-09-01

    By a combination of electrostatic and magnetic deflection it has been possible to examine the yield of ions scattered through 180 0 from the surface region of a variety of solid targets. Progress has been made in establishing a basis for quantitative assay of multiple vacancy clusters around single solute atoms in dilute alloys. HF laser-induced decomposition of 2,2,2,-trifluoroethanol has been studied as a function of laser fluence. The oxidation of carbon monoxide adsorbed on the (111) crystal face of platinum has been investigated further. Vacuum pumping systems of the D/H mass spectrometers have been replaced with turbo-molecular pumping systems, reducing the HD + background five-fold. Three iodine species, I-, I0 3 -, and I0 4 -, have been successfully separated and detected in aqueous solutions in the course of iodine specification studies. It has been shown that the occurrence of groups of grains with preferentially tangential basal poles serves to locate any radial hydrides at the inside surface of Zircaloy fuel cladding, but does not make any additional contribution to the susceptibility of the cladding to iodine induced stress corrosion cracking. The orientation relationships between oxide and metal on the (0001), (1120) and (1010) planes of zirconium single crystals show a different relationship for each of the principal planes. Further studies in the High Voltage Electron Microscope at AERE, Harwell confirm that electron irradiation produces only interstitial loops, and does not introduce -component dislocations in zirconium. The microtome has been improved to the point where layers of a ductile metal (zirconium) down to 70 nm can be reproducibly removed. (auth)

  18. Molecular beams research in the chemistry department of the Complutense university: progress over a decade

    International Nuclear Information System (INIS)

    Gonzalez Urena, A.

    1993-01-01

    This paper reports on the progress made over nearly a decade (1980-1990) by the Molecular Beam Group in the Complutense University of Madrid. After the author's stay in the United States as Prof. R.B Bernstein's post doc everything here had to be done from scratch. Designing the apparatus; importing all the equipment; overcoming huge bureaucracy: buying screws, welding, plumbing, etc. Essentially the following experimental techniques were set up: crossed-beam techniques to measure total and differential reaction cross-section for ground and/or excited species. Reaction Energy threshold and excitation functions for elementary chemical reactions. Molecular Beam chemiluminescence either in crossed-beam and beam-gas conditions. Laser-induced fluorescence and laser-induced charge transfer processes in beams and crossed-beam conditions, respectively. The chemiionization technique in crossed-beams was also set up. Our group pioneered: (a) the measurement of high resolution threshold energies and total reaction cross-section (also in absolute units) for many reactions; (b) the production of highly intense pulsed beams of electronically excited atoms; (c) the measurement under high resolution of the crossed-beam dynamics of excited species; (d) the measurement of the role of alkyl groups in the dynamics (stereodynamics) of chemical reactions; (e) the measurement of the spin-orbit effects in laser-induced charge transfer processes; (f) the developing of a novel technique, using the time-of-flight method under crossed-beam conditions, that is able to measure existing quantum effects in the total reaction cross-section; (g) the measurement of dissociation energies of radicals with less than 1% of experimental error. (Author) 76 refs. 32 fig

  19. Nuclear chemistry research. Progress report, November 1, 1975--October 31, 1976

    International Nuclear Information System (INIS)

    Sugarman, N.; Turkevich, A.

    1976-01-01

    Experiments in progress to study the dependence of cross section and gross recoil properties of various radioactive products from light (Al), medium-mass (Cu, Ag) and heavy (Bi, U) target nuclei bombarded with high-energy protons (1-400 GeV) are nearing completion. Emphasis is now being given to the details of the production processes, such as the angular and energy distributions of the products and their relation to fundamental particle interactions. Experiments are also underway on the comparison of pion and proton interactions with complex nuclei and on simple reactions involving pion production. Three experiments using 800 MeV protons at Los Alamos on B 4 C, Pb and U targets have failed to produce evidence for particle-bound polyneutron systems. At this energy, less than 10 -8 of the interactions lead to such systems. Collaboration has continued with Los Alamos and NOAA on stable atmospheric tracers. In the last year an additional experiment was performed using both 12 CD 4 (300 gm) and 13 CD 4 (100 gm) at Savannah River. The distribution of the tracers found 100 km from the release point agreed qualitatively with that observed with the SF 6 (154,000 gm) that was also released. A collaborative effort (with Dr. George W. Reed, Jr., ANL) on the study of extraterrestrial objects (meteorites and lunar samples) is continuing. Recently this work has concentrated on the distribution of halogens and mercury in lunar and meteoritic samples. The presence of isotopically anomalous mercury has been established in three more meteorites

  20. Development and Evaluation of a Chemistry-Specific Version of the Academic Motivation Scale (AMS-Chemistry)

    Science.gov (United States)

    Liu, Yujuan; Ferrell, Brent; Barbera, Jack; Lewis, Jennifer E.

    2017-01-01

    Fundamentally concerned with motivation, self-determination theory (SDT) represents a framework of several mini-theories to explore how social context interacts with people's motivational types categorized by degree of regulation internalization. This paper aims to modify an existing theory-based instrument (Academic Motivation Scale, or AMS) and…

  1. Multidisciplinary approach and multi-scale elemental analysis and separation chemistry

    International Nuclear Information System (INIS)

    Mariet, Clarisse

    2014-01-01

    The development of methods for the analysis of trace elements is an important component of my research activities either for a radiometric measure or mass spectrometric detection. Many studies raise the question of the chemical signature of a sample or a process: eruptive behavior of a volcano, indicator of pollution, ion exchange in vectors vesicles of active principles,... Each time, highly sensitive analytical procedures, accurate and multi-elementary as well as the development of specific protocols were needed. Neutron activation analysis has often been used as reference procedure and allowed to validate the chemical lixiviation and the measurement by ICP-MS. Analysis of radioactive samples requires skills in analysis of trace but also separation chemistry. Two separation methods occupy an important place in the separation chemistry of radionuclides: chromatography and liquid-liquid extraction. The study of extraction of Lanthanide (III) by the oxide octyl (phenyl)-n, N-diisobutyl-carbamoylmethyl phosphine (CMPO) and a calixarene-CMPO led to better understand and quantify the influence of operating conditions on their performance of extraction and selectivity. The high concentration of salts in aqueous solutions required to reason in terms of thermodynamic activities in relying on a comprehensive approach to quantification of deviations from ideality. In order to reduce the amount of waste generated and costs, alternatives to the hydrometallurgical extraction processes were considered using ionic liquids at low temperatures as alternative solvents in biphasic processes. Remaining in this logic of effluent reduction, miniaturization of the liquid-liquid extraction is also study so as to exploit the characteristics of microscopic scale (very large specific surface, short diffusion distances). The miniaturization of chromatographic separations carries the same ambitions of gain of volumes of wastes and reagents. The miniaturization of the separation Uranium

  2. 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)

  3. Radiation chemistry of hydrocarbon and alkyl halide systems. Progress report, August 30, 1979-July 31, 1980

    International Nuclear Information System (INIS)

    Hanrahan, R.J.

    1980-01-01

    This progress report covers experiments on pulse radiolysis of methyl iodide, radiation induced reactions in H 2 -CO mixtures and photochemistry and mass spectrometry of CF 3 I-CH 3 I systems. In the pulse radiolysis of alkyl iodide, it was possible to follow rate processes involving atomic iodine in the 2 P/sub 1/2/ excited state and 2 P/sub 3/2/ ground state resulting from irradiation of these compounds. The excited state proved easy to follow, since it can be observed in a strong transition at 206.2 nm. Observation of atomic iodine in the 2 P/sub 3/2/ ground state proved difficult, since it must be observed at 178.3 nm, well into the vacuum ultraviolet. Several design improvements in the pulse radiolysis apparatus were made to achieve a reliable measurement of the I*/I production ratio. The physical arrangement of the apparatus which was adopted is illustrated. A remaining problem which stands in the way of measuring I*/I ratios is the lack of information on extinction coefficients of 2 P/sub 1/2/ and 2 P/sub 3/2/ atomic iodine at 206 and 178 nm. It is expected that indirect calculations and/or computer modelling will be employed. In the H 2 -CO system, investigation of the effect of total pressure in the homogeneous gas phase was made, concentrating on the 3:1 H 2 -CO mixtures. Measurements were made as a function of pressure in the range of 250 to 3300 torr for saturated and unsaturated hydrocarbon in the C 1 to C 6 range. Two trends were exhibited; yields of all products dropped markedly as system pressure was increased; and yields in the nickel vessels were generally in excess of yields in the stainless vessels. Photolysis of CF 3 I-CH 3 I gas phase showed a substantial yield of the product CH 2 I 2 . High pressure mass spectrometry of CF 3 -CH 3 I mixtures revealed (CH 3 ICH 3 ) + , I 2 + , CF 3 I 2 + , (CF 3 I) 2 + , and unique species such as CF 3 ICH 3 and CF 2 ICH 2 +

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

    National Research Council Canada - National Science Library

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

    2008-01-01

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

  5. An analysis of the Spanish electrical utility industry. Economies of scale, technological progress and efficiency

    International Nuclear Information System (INIS)

    Arcos, Angel; De Toledo, Pablo Alvarez

    2009-01-01

    In this paper we propose a model to explain the behaviour of the Spanish electrical utility industry during the period 1987-1997, under the then existing regulatory system (Marco Legal Estable). The paper will study the presence of economies of scale, the effect of technological progress and the differences in the efficiency of the different companies within the market. The paper concludes that the Spanish electrical utility industry was not, in fact, characterized by economies of scale during this period, but witnessed a great improvement in efficiency within that period. All the critical market factors remind stable. (author)

  6. Progress on scaling up integrated services for sexual and reproductive health and HIV

    OpenAIRE

    Dickinson, Clare; Attawell, Kathy; Druce, Nel

    2009-01-01

    This paper considers new developments to strengthen sexual and reproductive health and HIV linkages and discusses factors that continue to impede progress. It is based on a previous review undertaken for the United Kingdom Department for International Development in 2006 that examined the constraints and opportunities to scaling up these linkages. We argue that, despite growing evidence that linking sexual and reproductive health and HIV is feasible and beneficial, few countries have achieved...

  7. Modeling Macro- and Micro-Scale Turbulent Mixing and Chemistry in Engine Exhaust Plumes

    Science.gov (United States)

    Menon, Suresh

    1998-01-01

    Simulation of turbulent mixing and chemical processes in the near-field plume and plume-vortex regimes has been successfully carried out recently using a reduced gas phase kinetics mechanism which substantially decreased the computational cost. A detailed mechanism including gas phase HOx, NOx, and SOx chemistry between the aircraft exhaust and the ambient air in near-field aircraft plumes is compiled. A reduced mechanism capturing the major chemical pathways is developed. Predictions by the reduced mechanism are found to be in good agreement with those by the detailed mechanism. With the reduced chemistry, the computer CPU time is saved by a factor of more than 3.5 for the near-field plume modeling. Distributions of major chemical species are obtained and analyzed. The computed sensitivities of major species with respect to reaction step are deduced for identification of the dominant gas phase kinetic reaction pathways in the jet plume. Both the near field plume and the plume-vortex regimes were investigated using advanced mixing models. In the near field, a stand-alone mixing model was used to investigate the impact of turbulent mixing on the micro- and macro-scale mixing processes using a reduced reaction kinetics model. The plume-vortex regime was simulated using a large-eddy simulation model. Vortex plume behind Boeing 737 and 747 aircraft was simulated along with relevant kinetics. Many features of the computed flow field show reasonable agreement with data. The entrainment of the engine plumes into the wing tip vortices and also the partial detrainment of the plume were numerically captured. The impact of fluid mechanics on the chemical processes was also studied. Results show that there are significant differences between spatial and temporal simulations especially in the predicted SO3 concentrations. This has important implications for the prediction of sulfuric acid aerosols in the wake and may partly explain the discrepancy between past numerical studies

  8. Nuclear chemistry progress report

    International Nuclear Information System (INIS)

    1976-01-01

    A brief administrative review is given of work in the following areas: investigations of the chemical effects accompanying muon capture in atoms and molecules, quadrupole interaction in metal and semimetal systems using perturbed gamma-ray angular correlation, and nuclear structure research using nuclear reaction spectroscopy. Detailed research reports were published in appropriate places; a publication list is included. 2 figures

  9. Scale and watershed features determine lake chemistry patterns across physiographic regions in the far north of Ontario, Canada

    Directory of Open Access Journals (Sweden)

    Josef MacLeod

    2016-11-01

    Full Text Available Changes in the far north of Ontario (>50°N latitude, like climate warming and increased industrial development, will have direct effects on watershed characteristics and lakes. To better understand the nature of remote northern lakes that span the Canadian Shield and Hudson Bay Lowlands, and to address the pressing need for limnological data for this vast, little-studied area of Ontario, lake chemistry surveys were conducted during 2011-2012. Lakes at the transition between these physiographic regions displayed highly variable water chemistry, reflecting the peatland landscape with a mix of bog and fen watersheds, and variations in the extent of permafrost. In the transition area, Shield and Lowlands lakes could not be clearly differentiated based on water chemistry; peat cover decouples, to varying degrees, the lakes from the influences of bedrock and surficial deposits. Regional chemistry differences were apparent across a much broader area of northern Ontario, due to large-scale spatial changes in geology and in the extent of peatlands and permafrost.  Shield lakes in the far northwest of Ontario had Ca, Mg, and TP concentrations markedly higher than those of many Lowlands lakes and previously studied Shield lakes south of 50°N, related to an abundance of lacustrine and glacial end-moraine deposits in the north.

  10. Severity score system for progressive myelopathy: development and validation of a new clinical scale

    Directory of Open Access Journals (Sweden)

    R.M. Castilhos

    2012-07-01

    Full Text Available Progressive myelopathies can be secondary to inborn errors of metabolism (IEM such as mucopolysaccharidosis, mucolipidosis, and adrenomyeloneuropathy. The available scale, Japanese Orthopaedic Association (JOA score, was validated only for degenerative vertebral diseases. Our objective is to propose and validate a new scale addressing progressive myelopathies and to present validating data for JOA in these diseases. A new scale, Severity Score System for Progressive Myelopathy (SSPROM, covering motor disability, sphincter dysfunction, spasticity, and sensory losses. Inter- and intra-rater reliabilities were measured. External validation was tested by applying JOA, the Expanded Disability Status Scale (EDSS, the Barthel index, and the Osame Motor Disability Score. Thirty-eight patients, 17 with adrenomyeloneuropathy, 3 with mucopolysaccharidosis I, 3 with mucopolysaccharidosis IV, 2 with mucopolysaccharidosis VI, 2 with mucolipidosis, and 11 with human T-cell lymphotropic virus type-1 (HTLV-1-associated myelopathy participated in the study. The mean ± SD SSPROM and JOA scores were 74.6 ± 11.4 and 12.4 ± 2.3, respectively. Construct validity for SSPROM (JOA: r = 0.84, P < 0.0001; EDSS: r = -0.83, P < 0.0001; Barthel: r = 0.56, P < 0.002; Osame: r = -0.94, P < 0.0001 and reliability (intra-rater: r = 0.83, P < 0.0001; inter-rater: r = 0.94, P < 0.0001 were demonstrated. The metric properties of JOA were similar to those found in SSPROM. Several clinimetric requirements were met for both SSPROM and JOA scales. Since SSPROM has a wider range, it should be useful for follow-up studies on IEM myelopathies.

  11. Hot Gas Conditioning: Recent Progress with Larger-Scale Biomass Gasification Systems; Update and Summary of Recent Progress

    Energy Technology Data Exchange (ETDEWEB)

    Stevens, D. J.

    2001-09-01

    As a result of environmental and policy considerations, there is increasing interest in using renewable biomass resources as feedstock for power, fuels, and chemicals and hydrogen. Biomass gasification is seen as an important technology component for expanding the use of biomass. Advanced biomass gasification systems provide clean products that can be used as fuel or synthesis gases in a variety of environmentally friendly processes. Advanced end-use technologies such as gas turbines or synthesis gas systems require high quality gases with narrowly defined specifications. Other systems such as boilers may also have fuel quality requirements, but they will be substantially less demanding. The gas product from biomass gasifiers contains quantities of particulates, tars, and other constituents that may exceed these specified limits. As a result, gas cleaning and conditioning will be required in most systems. Over the past decade, significant research and development activities have been conducted on the topic of gas cleanup and conditioning. This report provides an update of efforts related to large-scale biomass gasification systems and summarizes recent progress. Remaining research and development issues are also summarized.

  12. Progressive Amalgamation of Building Clusters for Map Generalization Based on Scaling Subgroups

    Directory of Open Access Journals (Sweden)

    Xianjin He

    2018-03-01

    Full Text Available Map generalization utilizes transformation operations to derive smaller-scale maps from larger-scale maps, and is a key procedure for the modelling and understanding of geographic space. Studies to date have largely applied a fixed tolerance to aggregate clustered buildings into a single object, resulting in the loss of details that meet cartographic constraints and may be of importance for users. This study aims to develop a method that amalgamates clustered buildings gradually without significant modification of geometry, while preserving the map details as much as possible under cartographic constraints. The amalgamation process consists of three key steps. First, individual buildings are grouped into distinct clusters by using the graph-based spatial clustering application with random forest (GSCARF method. Second, building clusters are decomposed into scaling subgroups according to homogeneity with regard to the mean distance of subgroups. Thus, hierarchies of building clusters can be derived based on scaling subgroups. Finally, an amalgamation operation is progressively performed from the bottom-level subgroups to the top-level subgroups using the maximum distance of each subgroup as the amalgamating tolerance instead of using a fixed tolerance. As a consequence of this step, generalized intermediate scaling results are available, which can form the multi-scale representation of buildings. The experimental results show that the proposed method can generate amalgams with correct details, statistical area balance and orthogonal shape while satisfying cartographic constraints (e.g., minimum distance and minimum area.

  13. 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.

  14. Use of the Progressive Aphasia Severity Scale (PASS) in monitoring speech and language status in PPA

    Science.gov (United States)

    Sapolsky, Daisy; Domoto-Reilly, Kimiko; Dickerson, Bradford C.

    2014-01-01

    Background Primary progressive aphasia (PPA) is a devastating neurodegenerative syndrome involving the gradual development of aphasia, slowly impairing the patient’s ability to communicate. Pharmaceutical treatments do not currently exist and intervention often focuses on speech-language behavioral therapies, although further investigation is warranted to determine how best to harness functional benefits. Efforts to develop pharmaceutical and behavioral treatments have been hindered by a lack of standardized methods to monitor disease progression and treatment efficacy. Aims Here we describe our current approach to monitoring progression of PPA, including the development and applications of a novel clinical instrument for this purpose, the Progressive Aphasia Severity Scale (PASS). We also outline some of the issues related to initial evaluation and longitudinal monitoring of PPA. Methods & Procedures In our clinical and research practice we perform initial and follow-up assessments of PPA patients using a multi-faceted approach. In addition to standardized assessment measures, we use the PASS to rate presence and severity of symptoms across distinct domains of speech, language, and functional and pragmatic aspects of communication. Ratings are made using the clinician’s best judgment, integrating information from patient test performance in the office as well as a companion’s description of routine daily functioning. Outcomes & Results Monitoring symptom characteristics and severity with the PASS can assist in developing behavioral therapies, planning treatment goals, and counseling patients and families on clinical status and prognosis. The PASS also has potential to advance the implementation of PPA clinical trials. Conclusions PPA patients display heterogeneous language profiles that change over time given the progressive nature of the disease. The monitoring of symptom progression is therefore crucial to ensure that proposed treatments are appropriate at

  15. Impact of isoprene and nitrogen oxides on O3 chemistry at the local and the regional scale : the ESCOMPTE experiment

    Science.gov (United States)

    Cortinovis, J.; Solmon, F.; Personne, E.; Serça, D.; Rosset, R.

    2003-04-01

    Concentrations of nitrogen oxides (NOx = NO+NO2) and volatile organic compounds (VOCs) play a crucial role in the atmospheric chemistry through the production-destruction of tropospheric O3. In rural areas, NOx concentrations are much lower than in urban areas, whereas VOCs emissions can be relatively high. This is due to a relative longer residence time of VOCs, and to the substantial contribution of Biogenic VOCs (BVOCs) representing more than 85% of all the VOCs emitted at the Earth surface (half of it being isoprene). For these reasons, O3 production in rural areas is most of the time NOx-limited. Taking into account biogenic emissions of isoprene in global scale atmospheric chemistry modeling adds from 10 to 40% to the ozone produced when compared to the same simulation without isoprene. This suggests that BVOCs and NOx emissions must be accounted for in models of atmospheric pollution forecasting at local and regional scales. In this study, we present a sensitivity analysis on the impact of the isoprene and nitrogen oxides emissions at the local and the regional scale. This study is done from data collected during the ESCOMPTE campaign which took place in June and July 2001 in the Marseille region (Southwest France) characterized by both strong natural and anthropogenic sources of trace gases. Isoprene emission experimental data from a Quercus Pubescens Mediterranean forest are used to constrain the 1Dz Soil-Vegetation-Atmospheric-Transfer ISBA model. This SVAT is used in the 3D MESO-NH-Chemistry model to simulate scenarios of pollution at the regional scale including the measured biogenic source for isoprene, and GENEMIS anthropogenic sources for other trace gases. To focus on the chemistry aspect of these simulations, the atmospheric dynamics are set to an "ideal" configuration. We have investigated the impact of the relative position and distance between the biogenic and anthropogenic sources on the O3 budget. According to this, and to the intensity of the

  16. Progress on scaling up integrated services for sexual and reproductive health and HIV.

    Science.gov (United States)

    Dickinson, Clare; Attawell, Kathy; Druce, Nel

    2009-11-01

    This paper considers new developments to strengthen sexual and reproductive health and HIV linkages and discusses factors that continue to impede progress. It is based on a previous review undertaken for the United Kingdom Department for International Development in 2006 that examined the constraints and opportunities to scaling up these linkages. We argue that, despite growing evidence that linking sexual and reproductive health and HIV is feasible and beneficial, few countries have achieved significant scale-up of integrated service provision. A lack of common understanding of terminology and clear technical operational guidance, and separate policy, institutional and financing processes continue to represent significant constraints. We draw on experience with tuberculosis and HIV integration to highlight some lessons. The paper concludes that there is little evidence to determine whether funding for health systems is strengthening linkages and we make several recommendations to maximize opportunities represented by recent developments.

  17. Cost function estimates, scale economies and technological progress in the Turkish electricity generation sector

    International Nuclear Information System (INIS)

    Ali Akkemik, K.

    2009-01-01

    Turkish electricity sector has undergone significant institutional changes since 1984. The recent developments since 2001 including the setting up of a regulatory agency to undertake the regulation of the sector and increasing participation of private investors in the field of electricity generation are of special interest. This paper estimates cost functions and investigates the degree of scale economies, overinvestment, and technological progress in the Turkish electricity generation sector for the period 1984-2006 using long-run and short-run translog cost functions. Estimations were done for six groups of firms, public and private. The results indicate existence of scale economies throughout the period of analysis, hence declining long-run average costs. The paper finds empirical support for the Averch-Johnson effect until 2001, i.e., firms overinvested in an environment where there are excess returns to capital. But this effect was reduced largely after 2002. Technological progress deteriorated slightly from 1984-1993 to 1994-2001 but improved after 2002. Overall, the paper found that regulation of the market under the newly established regulating agency after 2002 was effective and there are potential gains from such regulation. (author)

  18. Development of models to follow vapour-aerosol reactions and iodine chemistry, technical progress report, 1 January - 31 August 1991

    International Nuclear Information System (INIS)

    Deane, A.M.; Henshaw, J.; Sims, H.E.; Ellicott, P.; Morton, D.A.V.; Newland, M.S.; Roberts, G.J.; Smith, P.N.

    1991-12-01

    Iodine chemistry and vapour-aerosol interactions have been identified as key uncertainties in modelling severe accidents in nuclear plant. The objectives of this work programme are to develop a better understanding of such behaviour and to incorporate the findings into a model. This report describes work conducted during the first eight months of the contract. (author)

  19. Chemistry and materials science progress report. Weapons-supporting research and laboratory directed research and development: FY 1995

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1996-04-01

    This report covers different materials and chemistry research projects carried out a Lawrence Livermore National Laboratory during 1995 in support of nuclear weapons programs and other programs. There are 16 papers supporting weapons research and 12 papers supporting laboratory directed research.

  20. Chemistry and materials science progress report. Weapons-supporting research and laboratory directed research and development: FY 1995

    International Nuclear Information System (INIS)

    1996-04-01

    This report covers different materials and chemistry research projects carried out a Lawrence Livermore National Laboratory during 1995 in support of nuclear weapons programs and other programs. There are 16 papers supporting weapons research and 12 papers supporting laboratory directed research

  1. The IUPAC International Congresses of Pesticide Chemistry (1963-2014) and Pest Management Science: a half-century of progress.

    Science.gov (United States)

    Brooks, Gerald T

    2014-08-01

    As we approach the 2014 San Francisco IUPAC Pesticide Chemistry Congress, we reflect on the 51 years of such congresses every 4 years since 1963. Meanwhile, our journal, Pesticide Science/Pest Management Science, has in parallel continually published relevant science for nearly as long (44 years from 1970). © 2014 Society of Chemical Industry.

  2. Subgrid scale modeling in large-Eddy simulation of turbulent combustion using premixed fdlamelet chemistry

    NARCIS (Netherlands)

    Vreman, A.W.; Oijen, van J.A.; Goey, de L.P.H.; Bastiaans, R.J.M.

    2009-01-01

    Large-eddy simulation (LES) of turbulent combustion with premixed flamelets is investigated in this paper. The approach solves the filtered Navier-Stokes equations supplemented with two transport equations, one for the mixture fraction and another for a progress variable. The LES premixed flamelet

  3. Nanometer-Scale Chemistry of a Calcite Biomineralization Template: Implications for Skeletal Composition and Nucleation

    Energy Technology Data Exchange (ETDEWEB)

    Branson, Oscar; Bonnin, Elisa A.; Perea, Daniel E.; Spero, Howard J.; Zhu, Zihua; Winters, Maria; Hönisch, Bärbel; Russell, Ann D.; Fehrenbacher, Jennifer S.; Gagnon, Alexander C.

    2016-10-28

    Biomineralizing organisms exhibit exquisite control over skeletal morphology and composition. The promise of understanding and harnessing this feat of natural engineering has motivated an intense search for the mechanisms that direct in vivo mineral self-assembly. We used atom probe tomography, a sub-nanometer 3D chemical mapping technique, to examine the chemistry of a buried organic-mineral interface in biomineral calcite from a marine foraminifer. The chemical patterns at this interface capture the processes of early biomineralization, when the shape, mineralogy, and orientation of skeletal growth are initially established. Sodium is enriched by a factor of nine on the organic side of the interface. Based on this pattern, we suggest that sodium plays an integral role in early biomineralization, potentially altering interfacial energy to promote crystal nucleation, and that interactions between organic surfaces and electrolytes other than calcium or carbonate could be a crucial aspect of CaCO3 biomineralization.

  4. Atomic scale study of the chemistry of oxygen, hydrogen and water at SiC surfaces

    International Nuclear Information System (INIS)

    Amy, Fabrice

    2007-01-01

    Understanding the achievable degree of homogeneity and the effect of surface structure on semiconductor surface chemistry is both academically challenging and of great practical interest to enable fabrication of future generations of devices. In that respect, silicon terminated SiC surfaces such as the cubic 3C-SiC(1 0 0) 3 x 2 and the hexagonal 6H-SiC(0 0 0 1) 3 x 3 are of special interest since they give a unique opportunity to investigate the role of surface morphology on oxygen or hydrogen incorporation into the surface. In contrast to silicon, the subsurface structure plays a major role in the reactivity, leading to unexpected consequences such as the initial oxidation starting several atomic planes below the top surface or the surface metallization by atomic hydrogen. (review article)

  5. Progresses in application of computational ?uid dynamic methods to large scale wind turbine aerodynamics?

    Institute of Scientific and Technical Information of China (English)

    Zhenyu ZHANG; Ning ZHAO; Wei ZHONG; Long WANG; Bofeng XU

    2016-01-01

    The computational ?uid dynamics (CFD) methods are applied to aerody-namic problems for large scale wind turbines. The progresses including the aerodynamic analyses of wind turbine pro?les, numerical ?ow simulation of wind turbine blades, evalu-ation of aerodynamic performance, and multi-objective blade optimization are discussed. Based on the CFD methods, signi?cant improvements are obtained to predict two/three-dimensional aerodynamic characteristics of wind turbine airfoils and blades, and the vorti-cal structure in their wake ?ows is accurately captured. Combining with a multi-objective genetic algorithm, a 1.5 MW NH-1500 optimized blade is designed with high e?ciency in wind energy conversion.

  6. Progress toward a Km-scale neutrino detector in the deep ocean

    Energy Technology Data Exchange (ETDEWEB)

    Stokstad, R.G.

    1997-11-01

    The best particles for observing distant objects are photons and neutrinos. Because of the neutrino`s weak interaction cross section, detectors suitable for astronomy must be very large and well shielded from cosmic rays. Eventually, a detector with the order of a square km of effective area will be needed for systematic observations of distant point sources such as active galactic nuclei. Prototype detectors are currently being developed at several sites in the ocean, at Lake Baikal, and in Antarctica. This talk summarizes the status of the projects that use the deep ocean for the detector medium and shielding: DUMAND, NESTOR and ANTARES. Technical developments will be needed for a future km-scale detector; progress on one of these, a digital electronic system, is also described.

  7. Progress toward a Km-scale neutrino detector in the deep ocean

    International Nuclear Information System (INIS)

    Stokstad, R.G.

    1997-11-01

    The best particles for observing distant objects are photons and neutrinos. Because of the neutrino's weak interaction cross section, detectors suitable for astronomy must be very large and well shielded from cosmic rays. Eventually, a detector with the order of a square km of effective area will be needed for systematic observations of distant point sources such as active galactic nuclei. Prototype detectors are currently being developed at several sites in the ocean, at Lake Baikal, and in Antarctica. This talk summarizes the status of the projects that use the deep ocean for the detector medium and shielding: DUMAND, NESTOR and ANTARES. Technical developments will be needed for a future km-scale detector; progress on one of these, a digital electronic system, is also described

  8. Progress report on research and development work 1991 of the Department of Hot Chemistry, Karlsruhe Nuclear Research Center

    International Nuclear Information System (INIS)

    1991-03-01

    In the year under review, the Institute of Hot Chemistry (IHCH) was in the midst of a thematic reorientation process. The priority of future chemical-technical work will be in the field of the development of supercriticality processes. The objective of such work consists in seeking new ways for getting rid of resistant chemical pollutants (halogenated organic compounds). The following projects are presented in detail: 1) Waste control in the environment (communal waste management; water and soil; emission-reducing processes; highly polluted soils); 2) Solid state and materials research (chemistry of materials research); basic physical research (neutrino and particle physics); 3) Nuclear waste management (concluding work on reprocessing technology), and 4) Other research projects (Institute-related research). The Annex lists the publications made by the IHCH staff. (BBR) [de

  9. Progress in radiation chemistry of crown ether extractants used for the solvent extraction of "9"0Sr

    International Nuclear Information System (INIS)

    Peng Jing; Yu Chuhong; Cui Zhenpeng; Zhai Maolin

    2011-01-01

    The separation of the long-lived fission products from dissolved nuclear fuel could improve the safe disposal of high-level nuclear wastes and reduce their threaten to human being and environment. Since the extractant system will be exposed to high radiation environment during the solvent extraction of long-lived fission products. The understanding of radiation chemistry of extractants is very important for practical design of extractant system. The radiation chemistry of crown ether systems proposed for use in the solvent extraction of one of fission products "9"0Sr were reviewed based on the study on the radiation stability and radiolysis mechanism of crown ether system. Finally some challenges were suggested. (authors)

  10. Atomic scale study of vacancies in Earth's inner core: effect of pressure and chemistry

    Science.gov (United States)

    Ritterbex, S.; Tsuchiya, T.

    2017-12-01

    Seismic observations of the Earth's inner core [1] remain ambiguously related to mineral physics studies of the inner core stable crystalline iron phase [2,3,4,5]. This makes it difficult to clarify the role of plastic deformation as one of the primary candidates responsible for the observed seismic anisotropy of Earth's inner core. Nonetheless, atomic self-diffusion mechanisms provide a direct link between plastic deformation and the mechanical properties of Earth's inner core stable iron phase(s). Using first-principles density functional based calculation techniques, we have studied the conjugate effect of pressure and chemistry on vacancy diffusion in HCP-, BCC- and FCC-iron by taking into account potential light alloying elements as hydrogen, silicon and sulfur. Our results show that inner core pressure highly inhibits the rate of intrinsic self-diffusion by suppressing defect concentration rather than by effecting the mobility of the defects. Moreover, we found light elements to be able to affect metallic bonding which allows for extrinsic diffusion mechanisms in iron under inner core conditions. The latter clearly enables to enhance defect concentration and hence to enhance the rate of plastic deformation. This suggests that inner core chemistry affects the rheological properties (e.g.viscosity) of iron alloys which finally should match with seismic observations. references: [1] Deuss, A., 2014. Heterogeneity and Anisotropy of Earth's inner core. An. Rev. Earth Planet. Sci. 42, 103-126. [2] Anzellini, S., Dewaele, A., Mezouar, M., Loubeyre, P., Morard, G., 2013. Melting of iron at Earth's inner core boundary based on fast X-ray diffraction. Science 340, 464-466. [3] Godwal, B.K., Gonzales-Cataldo, F., Verma, A.K., Stixrude, L., Jeanloz, R., 2015. Stability of iron crystal structures at 0.3-1.5 TPa. [4] Vocadlo, L., 2007. Ab initio calculations of the elasticity of iron and iron alloys at inner core conditions: evidence for a partially molten inner core

  11. Scaling of the critical free length for progressive unfolding of self-bonded graphene

    Energy Technology Data Exchange (ETDEWEB)

    Kwan, Kenny; Cranford, Steven W., E-mail: s.cranford@neu.edu [Laboratory of Nanotechnology in Civil Engineering (NICE), Department of Civil and Environmental Engineering, Northeastern University, 400 Snell Engineering, 360 Huntington Avenue, Boston, Massachusetts 02115 (United States)

    2014-05-19

    Like filled pasta, rolled or folded graphene can form a large nanocapsule surrounding a hollow interior. Use as a molecular carrier, however, requires understanding of the opening of such vessels. Here, we investigate a monolayer sheet of graphene as a theoretical trial platform for such a nanocapsule. The graphene is bonded to itself via aligned disulfide (S-S) bonds. Through theoretical analysis and atomistic modeling, we probe the critical nonbonded length (free length, L{sub crit}) that induces fracture-like progressive unfolding as a function of folding radius (R{sub i}). We show a clear linear scaling relationship between the length and radius, which can be used to determine the necessary bond density to predict mechanical opening/closing. However, stochastic dissipated energy limits any exact elastic formulation, and the required energy far exceeds the dissociation energy of the S-S bond. We account for the necessary dissipated kinetic energy through a simple scaling factor (Ω), which agrees well with computational results.

  12. The influence of small-scale variations in isoprene concentrations on atmospheric chemistry over a tropical rainforest

    Directory of Open Access Journals (Sweden)

    T. A. M. Pugh

    2011-05-01

    Full Text Available Biogenic volatile organic compounds (BVOCs such as isoprene constitute a large proportion of the global atmospheric oxidant sink. Their reactions in the atmosphere contribute to processes such as ozone production and secondary organic aerosol formation. However, over the tropical rainforest, where 50 % of the global emissions of BVOCs are believed to occur, atmospheric chemistry models have been unable to simulate concurrently the measured daytime concentration of isoprene and that of its principal oxidant, hydroxyl (OH. One reason for this model-measurement discrepancy may be incomplete mixing of isoprene within the convective boundary layer, leading to patchiness or segregation in isoprene and OH mixing ratios and average concentrations that appear to be incompatible with each other. One way of capturing this effect in models of atmospheric chemistry is to use a reduced effective rate constant for their reaction. Recent studies comparing atmospheric chemistry global/box models with field measurements have suggested that this effective rate reduction may be as large as 50 %; which is at the upper limit of that calculated using large eddy simulation models. To date there has only been one field campaign worldwide that has reported co-located measurements of isoprene and OH at the necessary temporal resolution to calculate the segregation of these compounds. However many campaigns have recorded sufficiently high resolution isoprene measurements to capture the small-scale fluctuations in its concentration. Assuming uniform distributions of other OH production and loss processes, we use a box model of atmospheric chemistry, constrained by the spectrum of isoprene concentrations measured, as a virtual instrument, to estimate the variability in OH at a point and hence, to estimate the segregation intensity of isoprene and OH from high-frequency isoprene time series. The method successfully reproduces the only directly observed segregation, using

  13. Progress in heavy ion driven inertial fusion energy: From scaled experiments to the integrated research experiment

    International Nuclear Information System (INIS)

    Barnard, J.J.; Ahle, L.E.; Baca, D.; Bangerter, R.O.; Bieniosek, F.M.; Celata, C.M.; Chacon-Golcher, E.; Davidson, R.C.; Faltens, A.; Friedman, A.; Franks, R.M.; Grote, D.P.; Haber, I.; Henestroza, E.; Hoon, M.J.L. de; Kaganovich, I.; Karpenko, V.P.; Kishek, R.A.; Kwan, J.W.; Lee, E.P.; Logan, B.G.; Lund, S.M.; Meier, W.R.; Molvik, A.W.; Olson, C.; Prost, L.R.; Qin, H.; Rose, D.; Sabbi, G.-L.; Sangster, T.C.; Seidl, P.A.; Sharp, W.M.; Shuman, D.; Vay, J.-L.; Waldron, W.L.; Welch, D.; Yu, S.S.

    2001-01-01

    integrated test of the beam physics necessary for a driver, but in addition will provide target and chamber data. This paper will review the experimental and theoretical progress in heavy ion accelerator driver research from the scaled experiments through the present experiments and will discuss plans for the IRE

  14. Nuclear chemistry research and spectroscopy with radioactive sources. Twenty-second annual progress report, February 1, 1986-January 31, 1987

    International Nuclear Information System (INIS)

    Fink, R.W.

    1986-01-01

    The nuclear chemistry group in the School of Chemistry continues investigations of radioactive decay of nuclei far from stability under this DOE contract. These nuclei are produced with heavy ions from the Holifield Heavy Ion Research Facility (HHIRF) and studied on-line with the University Isotope Separator at Oak Ridge (UNISOR). Radioactive decay represents a unique method for the population of low-energy, low-spin structures in nuclei, and new phenomena which do not occur near stability can be explored. Our research interest encompasses three aspects of nuclear structure: (1) nuclear spectroscopy with detailed γγt, e - γt, Xγt, αγt multiparameter coincidence spectrometry; (2) measurements of single γ-ray angular distributions and magnetic moments of mass separated low-temperature oriented nuclei, using the helium dilution refrigerator ''ORIENT'' being installed on-line to the isotope separator; and (3) on-line laser hyperfine structure (hfs) and isotope shift measurements for determination of nuclear quadrupole moments, nuclear spins, and changes in mean nuclear charge radii as a means of revealing systematic shape changes in nuclei. 35 refs., 8 figs., 1 tab

  15. Nuclear chemistry research and spectroscopy with radioactive sources. Twenty-first annual progress report, February 1, 1985-January 31, 1986

    International Nuclear Information System (INIS)

    Fink, R.W.

    1985-01-01

    The nuclear chemistry group in the School of Chemistry continues investigating the radioactive decay of nuclei far from stability under this DOE contract. These nuclei are produced with heavy ions from the Holifield Heavy Ion Research Facility [HHIRF] and studied on-line with the University Isotope Separator at Oak Ridge [UNISOR]. Radioactive decay represents a unique method for the population of low-energy, low-spin structures in nuclei, and new phenomena which do not occur near stability can be explored. Our research encompasses three aspects of nuclear structure: (1) nuclear spectroscopy with detailed γγt, e - γt, Xγt, etc., multiparameter coincidence spectrometry; (2) on-line laser hyperfine structure [hfs] and isotope shift measurements for the determination of nuclear quadrupole moments, nuclear spins, and changes in mean nuclear charge radii as a means of revealing systematic shape changes in nuclei; and (3) theoretical calculations of predictions of nuclear models for comparison with experimental level structures in nuclei studied at UNISOR. 20 refs., 9 figs., 2 tabs

  16. 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

  17. Some progress on radiation chemistry of substances of biological interests and biological applications of radiation technology in China

    International Nuclear Information System (INIS)

    Wu Jilan; Fang Xingwang

    1995-01-01

    Studies in China on the detection method of irradiated food, mechanism of DNA damage induced by peroxidation, radiolysis of natural products and herbs are reviewed on the update open literature, and some progress on applications of radiation technology is summarized. (author)

  18. 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

  19. Progress in scale-up of second-generation HTS conductor

    International Nuclear Information System (INIS)

    Selvamanickam, V.; Chen, Y.; Xiong, X.; Xie, Y.; Zhang, X.; Qiao, Y.; Reeves, J.; Rar, A.; Schmidt, R.; Lenseth, K.

    2007-01-01

    Tremendous progress has been recently made in the achievement of high-performance, high-speed, long-length second-generation (2G) HTS conductors. Using ion beam assisted deposition (IBAD) MgO and metal organic chemical vapor deposition (MOCVD), SuperPower has scaled up tape lengths to 427 m with a minimum critical current value of 191 A/cm corresponding to a critical current x length performance of 81,550 m. Tape speeds up to 120 m/h have been reached with IBAD MgO, up to 80 m/h with buffer deposition and up to 45 m/h with MOCVD, all in single pass processing of 12 mm wide tape. Critical current value of 227 A/cm has been achieved in a 203 m long tape produced in an all-high-speed fabrication process. Critical current values have been raised to 721 A/cm, 592 A/cm and 486 A/cm in short, reel-to-reel processed tape, over 1 m length and over 11.1 m, respectively, using thicker MOCVD HTS films. Finally, over 10,000 m of copper-stabilized, 4 mm wide conductor has been produced and tested for delivery to the Albany Cable project. The average critical current of the 10,000 m lot was 81 A

  20. Progress in scale-up of second-generation HTS conductor

    Energy Technology Data Exchange (ETDEWEB)

    Selvamanickam, V. [SuperPower Inc., 450 Duane Avenue, Schenectady, NY 12304 (United States)], E-mail: vselva@igc.com; Chen, Y.; Xiong, X.; Xie, Y.; Zhang, X.; Qiao, Y.; Reeves, J.; Rar, A.; Schmidt, R.; Lenseth, K. [SuperPower Inc., 450 Duane Avenue, Schenectady, NY 12304 (United States)

    2007-10-01

    Tremendous progress has been recently made in the achievement of high-performance, high-speed, long-length second-generation (2G) HTS conductors. Using ion beam assisted deposition (IBAD) MgO and metal organic chemical vapor deposition (MOCVD), SuperPower has scaled up tape lengths to 427 m with a minimum critical current value of 191 A/cm corresponding to a critical current x length performance of 81,550 m. Tape speeds up to 120 m/h have been reached with IBAD MgO, up to 80 m/h with buffer deposition and up to 45 m/h with MOCVD, all in single pass processing of 12 mm wide tape. Critical current value of 227 A/cm has been achieved in a 203 m long tape produced in an all-high-speed fabrication process. Critical current values have been raised to 721 A/cm, 592 A/cm and 486 A/cm in short, reel-to-reel processed tape, over 1 m length and over 11.1 m, respectively, using thicker MOCVD HTS films. Finally, over 10,000 m of copper-stabilized, 4 mm wide conductor has been produced and tested for delivery to the Albany Cable project. The average critical current of the 10,000 m lot was 81 A.

  1. Development of combinatorial chemistry methods for coatings: high-throughput adhesion evaluation and scale-up of combinatorial leads.

    Science.gov (United States)

    Potyrailo, Radislav A; Chisholm, Bret J; Morris, William G; Cawse, James N; Flanagan, William P; Hassib, Lamyaa; Molaison, Chris A; Ezbiansky, Karin; Medford, George; Reitz, Hariklia

    2003-01-01

    Coupling of combinatorial chemistry methods with high-throughput (HT) performance testing and measurements of resulting properties has provided a powerful set of tools for the 10-fold accelerated discovery of new high-performance coating materials for automotive applications. Our approach replaces labor-intensive steps with automated systems for evaluation of adhesion of 8 x 6 arrays of coating elements that are discretely deposited on a single 9 x 12 cm plastic substrate. Performance of coatings is evaluated with respect to their resistance to adhesion loss, because this parameter is one of the primary considerations in end-use automotive applications. Our HT adhesion evaluation provides previously unavailable capabilities of high speed and reproducibility of testing by using a robotic automation, an expanded range of types of tested coatings by using the coating tagging strategy, and an improved quantitation by using high signal-to-noise automatic imaging. Upon testing, the coatings undergo changes that are impossible to quantitatively predict using existing knowledge. Using our HT methodology, we have developed several coatings leads. These HT screening results for the best coating compositions have been validated on the traditional scales of coating formulation and adhesion loss testing. These validation results have confirmed the superb performance of combinatorially developed coatings over conventional coatings on the traditional scale.

  2. Synthesis of new water-soluble metal-binding polymers: Combinatorial chemistry approach. 1998 annual progress report

    International Nuclear Information System (INIS)

    Kurth, M.J.; Miller, R.B.; Sawan, S.; Smith, B.F.

    1998-01-01

    '(1) Develop rapid discovery and optimization approaches to new water-soluble chelating polymers for use in Polymer Filtration (PF) systems, and (2) evaluate the concept of using water and organic soluble polymers as new solid supports for combinatorial synthesis. Polymer Filtration (PF), which uses water-soluble metal-binding polymers to sequester metal ions in dilute solution with ultrafiltration (UF) to separate the polymers, is a new technology to selectively remove or recover hazardous and valuable metal ions. Future directions in PF must include rapid development, testing, and characterization of new metal-binding polymers. Thus, the authors are building upon and adapting the combinatorial chemistry approach developed for rapid molecule generation for the drug industry to the rapid development of new chelating polymers. The authors have focused on four areas including the development of: (1) synthetic procedures, (2) small ultrafiltration equipment compatible with organic- and aqueous-based combinatorial synthesis, (3) rapid assay techniques, and (4) polymer characterization techniques.'

  3. Using sulfite chemistry for robust bioconversion of Douglas-fir forest residue to bioethanol at high titer and lignosulfonate: A pilot-scale evaluation

    Science.gov (United States)

    J.Y. Zhu; M. Subhosh Chandra; Feng Gu; Roland Gleisner; J.Y. Zhu; John Sessions; Gevan Marrs; Johnway Gao; Dwight Anderson

    2015-01-01

    This study demonstrated at the pilot-scale (50 kg) use of Douglas-fir forest harvest residue, an underutilized forest biomass, for the production of high titer and high yield bioethanol using sulfite chemistry without solid–liquor separation and detoxification. Sulfite Pretreatment to Overcome the Recalcitrance of Lignocelluloses (SPORL) was directly applied to the...

  4. Radiation chemistry of hydrocarbon and alkyl halide systems. Interim progress report, June 1, 1984-July 31, 1985

    International Nuclear Information System (INIS)

    Hanrahan, R.J.

    1985-01-01

    Experimental work in progress includes studies of gas phase OH radical reaction using argon sensitized pulse radiolysis and studies of the radiolytic oxidation of butane. Work on interpretation of results, writing, and revision of manuscripts is still in progress on several investigations including studies of the photochemistry and mass spectrometry of CF3I-CH3I mixtures; an investigation of the radiolytic oxidation of propane; and certain parts of the study of radiolytic reactions in the H 2 - CO system. Work on experimental aspects of the radiolytic oxidation of butane nearing completion. It appears that the results do parallel the propane system as we anticipated, with major products being the C 4 alcohols and olefins

  5. Sub-tracer scale behaviour of radionuclides. Application to actinide chemistry

    International Nuclear Information System (INIS)

    Guillaumont, R.; Delamoye, P.; Adloff, J.P.; Peneloux, A.

    1991-01-01

    The description of the equilibrium state of observable reactions of elements in amounts ranging from several hundred atoms down to a single atom is considered. Such situations are frequently encountered in the laboratory, in nature and in space. The only cases which are experimentally accessible are those which involve radioactive atoms. The concept of observable reactions is first defined in terms of the temporal evolution and spatial extent of the host systems. Next, it is shown that the classical approach to chemical equilibrium must be modified at the concentration level which defines the 'sub-tracer' scale. Finally, a new model is developed for the description of the equilibrium state of reactions proceeding in a closed system and involving a hundred species or less. The results of the calculations show that for the particular reaction in which the stoichiometric coefficients of all species of a given element are equal to one, the law of mass action is still valid if expressed in terms of the average number of reacting species. In other cases, important deviations from the classical law of mass action are predicted. The average number of species involved in the reactions is computed from the canonical probability of realizing the microstates. Several reactions of actinide elements are considered in the framework of the new theoretical approach. (orig.)

  6. Progression to multi-scale models and the application to food system intervention strategies.

    Science.gov (United States)

    Gröhn, Yrjö T

    2015-02-01

    The aim of this article is to discuss how the systems science approach can be used to optimize intervention strategies in food animal systems. It advocates the idea that the challenges of maintaining a safe food supply are best addressed by integrating modeling and mathematics with biological studies critical to formulation of public policy to address these challenges. Much information on the biology and epidemiology of food animal systems has been characterized through single-discipline methods, but until now this information has not been thoroughly utilized in a fully integrated manner. The examples are drawn from our current research. The first, explained in depth, uses clinical mastitis to introduce the concept of dynamic programming to optimize management decisions in dairy cows (also introducing the curse of dimensionality problem). In the second example, a compartmental epidemic model for Johne's disease with different intervention strategies is optimized. The goal of the optimization strategy depends on whether there is a relationship between Johne's and Crohn's disease. If so, optimization is based on eradication of infection; if not, it is based on the cow's performance only (i.e., economic optimization, similar to the mastitis example). The third example focuses on food safety to introduce risk assessment using Listeria monocytogenes and Salmonella Typhimurium. The last example, practical interventions to effectively manage antibiotic resistance in beef and dairy cattle systems, introduces meta-population modeling that accounts for bacterial growth not only in the host (cow), but also in the cow's feed, drinking water and the housing environment. Each example stresses the need to progress toward multi-scale modeling. The article ends with examples of multi-scale systems, from food supply systems to Johne's disease. Reducing the consequences of foodborne illnesses (i.e., minimizing disease occurrence and associated costs) can only occur through an

  7. Radiation chemistry and mass spectrometry of volatile silanes and germanes. Progress report, June 1, 1975--August 31, 1976

    International Nuclear Information System (INIS)

    Lampe, F.W.

    1976-01-01

    Progress is reported in the following studies: the hydrogen-atom initiated decomposition of monosilane; ion-molecule reactions in SiH 4 --D 2 mixtures; extensive redistribution of fluorine and hydrogen in the reaction of CF 3 + with SiH 4 ; direct detection of energy-rich complexes in the reactions of Si + , SiH + and SiH 3 + with benzene; ion-molecule reactions in SiH 4 --C 6 H 6 mixtures; reaction rate constants for the reactions of hydrogen atoms with some silanes, alkylsilanes, and germanes; and 60 Co radiolysis of SiH 4 --NO mixtures

  8. Research concerning ionic and free radical reactions in radiation chemistry. Progress report, September 15, 1976--September 15, 1977

    International Nuclear Information System (INIS)

    Williams, T.F.

    1977-01-01

    Progress is reported on ESR studies of fluorocarbon radicals and intermediate radicals. A detailed study was made of the dimethyl, diethyl, and di-n-propyl carbonates. Studies were continued on hydrogen-atom abstraction reactions at low temperatures with view to evaluating the contribution from quantum-mechanical tunneling. Detection of the transient dimer radical anion of acetonitrile in the upper crystalline phase at -50 0 C is reported. Abstracts of current reports are included on electron attachment to fluorocarbons hydrogen atom abstraction by methyl radicals. EPR spectra of the tetrafluoroethylene radical anion, and addition of tetrafluoroethylene to the tetrafluoroethylene radical anion

  9. Synthesis of new water-soluble metal-binding polymers: Combinatorial chemistry approach. 1997 mid-year progress report

    International Nuclear Information System (INIS)

    Smith, B.F.

    1997-01-01

    'The first objective of this research is to develop rapid discovery and optimization approaches to new water-soluble chelating polymers. A byproduct of the development approach will be the new, selective, and efficient metal-binding agents. The second objective is to evaluate the concept of using water and organic soluble polymers as new solid supports for combinatorial synthesis. The technology under development, Polymer Filtration (PF), is a technique to selectively remove or recover hazardous and valuable metal ions and radionuclides from various dilute aqueous streams. Not only can this technology be used to remediate contaminated soils and solid surfaces and treat aqueous wastes, it can also be incorporated into facilities as a pollution prevention and waste minimization technology. Polymer Filtration uses water-soluble metal-binding polymers to sequester metal ions in dilute solution. The water-soluble polymers have a sufficiently large molecular size that they can be separated and concentrated using commercial ultrafiltration technology. Water, small organic molecules, and unbound metals pass freely through the ultrafiltration membrane while concentrating the metal-binding polymer. The polymers can then be reused by changing the solution conditions to release the metal ions. The metal-ions are recovered in concentrated form for recycle or disposal using a diafiltration process. The water-soluble polymer can be recycled for further aqueous-stream processing. To advance Polymer Filtration technology to the selectivity levels required for DOE needs. fixture directions in Polymer Filtration must include rapid development, testing, and characterization of new metal-binding polymers. The development of new chelating molecules can be equated to the process of new drugs or new materials discovery. Thus, the authors want to build upon and adapt the combinatorial chemistry approaches developed for rapid molecule generation for the drug industry to the rapid

  10. Birth, growth and progresses through the last twelve years of a regional scale landslide warning system

    Science.gov (United States)

    Fanti, Riccardo; Segoni, Samuele; Rosi, Ascanio; Lagomarsino, Daniela; Catani, Filippo

    2017-04-01

    recordings and landslides occurred) and to use them to define more robust relationships between rainfalls and landslide triggering, with the final aim to increase the forecasting effectiveness of the warning system. The updated rainfall and landslide database were used to periodically perform a quantitative validation and to analyze the errors affecting the system forecasts. The errors characterization was used to implement a continuous process of updating and modification of SIGMA, that included: - Main model upgrades (generalization from a pilot test site to the whole Emilia Romagna region; calibration against well documented landslide events to define specific σ levels for each territorial units; definition of different alert levels according to the number of expected - Ordinary updates (periodically, the new landslide and rainfall data were used to re-calibrate the thresholds, taking into account a more robust sample). - Model tuning (set up of the optimal version of the decisional algorithm, including different definitions of "long" and "short" periods; selection of the optimal reference rain gauge for each Territorial Unit; modification of the boundaries of some territorial - Additional features (definition of a module that takes into account the effect of snow melt and snow accumulation; coupling with a landslide susceptibility model to improve the spatial accuracy of the model). - Various performance tests (including the comparison with alternate versions of SIGMA or with thresholds based on rainfall intensity and duration). This process has led to an evolution of the warning system and to a documented improvement of its forecasting effectiveness. Landslide forecasting at regional scale is a very complex task, but as time passes by and with the systematic gathering of new substantial data and the continuous progresses of research, uncertainties can be progressively reduced and a warning system can be set that increases its performances and reliability with time.

  11. Finding the Connections between a High-School Chemistry Curriculum and Nano-Scale Science and Technology

    Science.gov (United States)

    Blonder, Ron; Sakhnini, Sohair

    2017-01-01

    The high-school chemistry curriculum is loaded with many important chemical concepts that are taught at the high-school level and it is therefore very difficult to add modern contents to the existing curriculum. However, many studies have underscored the importance of integrating modern chemistry contents such as nanotechnology into a high-school…

  12. From Matter to Life: Chemistry?!

    Indian Academy of Sciences (India)

    chemistry came along at milder temperatures; particles formed atoms; these ... Chemistry is the science of matter and of its transformations, and life is its highest ..... information. The progression from elementary particles to the nucleus, the.

  13. 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

  14. Evaluation of materials' corrosion and chemistry issues for advanced gas cooled reactor steam generators using full scale plant simulations

    International Nuclear Information System (INIS)

    Woolsey, I.S.; Rudge, A.J.; Vincent, D.J.

    1998-01-01

    Advanced Gas Cooled Reactors (AGRS) employ once-through steam Generators of unique design to provide steam at approximately 530 degrees C and 155 bar to steam turbines of similar design to those of fossil plants. The steam generators are highly compact, and have either a serpentine or helical tube geometry. The tubes are heated on the outside by hot C0 2 gas, and steam is generated on the inside of the tubes. Each individual steam generator tube consists of a carbon steel feed and primary economiser section, a 9%Cr steel secondary economiser, evaporator and primary superheater, and a Type 316L austenitic stainless steel secondary superheater, all within a single tube pass. The multi-material nature of the individual tube passes, the need to maintain specific thermohydraulic conditions within the different material sections, and the difficulties of steam generator inspection and repair, have required extensive corrosion-chemistry test programmes to ensure waterside corrosion does not present a challenge to their integrity. A major part of these programmes has been the use of a full scale steam generator test facility capable of simulating all aspects of the waterside conditions which exist in the plant. This facility has been used to address a wide variety of possible plant drainage/degradation processes. These include; single- and two-phase flow accelerated corrosion of carbon steel, superheat margins requirements and the stress-corrosion behaviour of the austenitic superheaters, on-load corrosion of the evaporator materials, and iron transport and oxide deposition behaviour. The paper outlines a number of these, and indicates how they have been of value in helping to maintain reliable operation of the plant. (author)

  15. AECL research programs in chemistry

    International Nuclear Information System (INIS)

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

    1980-09-01

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

  16. Description and Evaluation of the Multiscale Online Nonhydrostatic AtmospheRe CHemistry Model (NMMB-MONARCH) Version 1.0: Gas-Phase Chemistry at Global Scale

    Science.gov (United States)

    Badia, Alba; Jorba, Oriol; Voulgarakis, Apostolos; Dabdub, Donald; Garcia-Pando, Carlos Perez; Hilboll, Andreas; Goncalves, Maria; Janjic, Zavisa

    2017-01-01

    This paper presents a comprehensive description and benchmark evaluation of the tropospheric gas-phase chemistry component of the Multiscale Online Nonhydrostatic AtmospheRe CHemistry model (NMMBMONARCH), formerly known as NMMB/BSC-CTM, that can be run on both regional and global domains. Here, we provide an extensive evaluation of a global annual cycle simulation using a variety of background surface stations (EMEP, WDCGG and CASTNET), ozonesondes (WOUDC, CMD and SHADOZ), aircraft data (MOZAIC and several campaigns), and satellite observations (SCIAMACHY and MOPITT).We also include an extensive discussion of our results in comparison to other state-of-the-art models. We note that in this study, we omitted aerosol processes and some natural emissions (lightning and volcano emissions). The model shows a realistic oxidative capacity across the globe. The seasonal cycle for CO is fairly well represented at different locations (correlations around 0.3-0.7 in surface concentrations), although concentrations are underestimated in spring and winter in the Northern Hemisphere, and are overestimated throughout the year at 800 and 500 hPa in the Southern Hemisphere. Nitrogen species are well represented in almost all locations, particularly NO2 in Europe (root mean square error - RMSE - below 5 ppb). The modeled vertical distributions of NOx and HNO3 are in excellent agreement with the observed values and the spatial and seasonal trends of tropospheric NO2 columns correspond well to observations from SCIAMACHY, capturing the highly polluted areas and the biomass burning cycle throughout the year. Over Asia, the model underestimates NOx from March to August, probably due to an underestimation of NOx emissions in the region. Overall, the comparison of the modeled CO and NO2 with MOPITT and SCIAMACHY observations emphasizes the need for more accurate emission rates from anthropogenic and biomass burning sources (i.e., specification of temporal variability).

  17. 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

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

    International Nuclear Information System (INIS)

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

    1997-01-01

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

  19. 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

  20. Progress in AMSC scale-up of second generation HTS wire

    International Nuclear Information System (INIS)

    Zhang, W.; Rupich, M.W.; Schoop, U.; Verebelyi, D.T.; Thieme, C.L.H.; Li, X.; Kodenkandath, T.; Huang, Y.; Siegal, E.; Buczek, D.; Carter, W.; Nguyen, N.; Schreiber, J.; Prasova, M.; Lynch, J.; Tucker, D.; Fleshler, S.

    2007-01-01

    American Superconductor has successfully scaled up its low-cost, high volume second generation (2G) HTS wire process into pre-pilot scale production, with performance approaching first generation (1G) HTS wire. AMSC's manufacturing approach is based on RABiTS TM /MOD wide strip technology, with metal organic deposition (MOD) process for the YBCO layer and the Rolling Assisted Biaxially Textured Substrate (RABiTS) process for the template. In this paper, we review the status of the 2G manufacturing scale up at AMSC and describe the properties and architecture of the 2G wire being manufactured and developed for various applications

  1. Progress in AMSC scale-up of second generation HTS wire

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, W. [American Superconductor Corporation, 2 Technology Drive, Westborough, MA 01545 (United States)], E-mail: wzhang@amsuper.com; Rupich, M.W.; Schoop, U.; Verebelyi, D.T.; Thieme, C.L.H.; Li, X.; Kodenkandath, T.; Huang, Y.; Siegal, E.; Buczek, D.; Carter, W.; Nguyen, N.; Schreiber, J.; Prasova, M.; Lynch, J.; Tucker, D.; Fleshler, S. [American Superconductor Corporation, 2 Technology Drive, Westborough, MA 01545 (United States)

    2007-10-01

    American Superconductor has successfully scaled up its low-cost, high volume second generation (2G) HTS wire process into pre-pilot scale production, with performance approaching first generation (1G) HTS wire. AMSC's manufacturing approach is based on RABiTS{sup TM}/MOD wide strip technology, with metal organic deposition (MOD) process for the YBCO layer and the Rolling Assisted Biaxially Textured Substrate (RABiTS) process for the template. In this paper, we review the status of the 2G manufacturing scale up at AMSC and describe the properties and architecture of the 2G wire being manufactured and developed for various applications.

  2. Towards an understanding of career progression for female professors of nursing: a small scale study

    OpenAIRE

    Joyce, Maria

    2012-01-01

    The aim of this study was to generate knowledge of career progression for women professors of nursing, an under researched topic, in order to understand how their professional and personal experiences may have influenced their aspirations and opportunities for career success. This qualitative study gave voice to a small group of women professors of nursing through individual narrative semi-structured interviews, a relatively under-used methodology. The findings are anticipated to have currenc...

  3. Multi-scale multi-physics computational chemistry simulation based on ultra-accelerated quantum chemical molecular dynamics method for structural materials in boiling water reactor

    International Nuclear Information System (INIS)

    Miyamoto, Akira; Sato, Etsuko; Sato, Ryo; Inaba, Kenji; Hatakeyama, Nozomu

    2014-01-01

    In collaboration with experimental experts we have reported in the present conference (Hatakeyama, N. et al., “Experiment-integrated multi-scale, multi-physics computational chemistry simulation applied to corrosion behaviour of BWR structural materials”) the results of multi-scale multi-physics computational chemistry simulations applied to the corrosion behaviour of BWR structural materials. In macro-scale, a macroscopic simulator of anode polarization curve was developed to solve the spatially one-dimensional electrochemical equations on the material surface in continuum level in order to understand the corrosion behaviour of typical BWR structural material, SUS304. The experimental anode polarization behaviours of each pure metal were reproduced by fitting all the rates of electrochemical reactions and then the anode polarization curve of SUS304 was calculated by using the same parameters and found to reproduce the experimental behaviour successfully. In meso-scale, a kinetic Monte Carlo (KMC) simulator was applied to an actual-time simulation of the morphological corrosion behaviour under the influence of an applied voltage. In micro-scale, an ultra-accelerated quantum chemical molecular dynamics (UA-QCMD) code was applied to various metallic oxide surfaces of Fe 2 O 3 , Fe 3 O 4 , Cr 2 O 3 modelled as same as water molecules and dissolved metallic ions on the surfaces, then the dissolution and segregation behaviours were successfully simulated dynamically by using UA-QCMD. In this paper we describe details of the multi-scale, multi-physics computational chemistry method especially the UA-QCMD method. This method is approximately 10,000,000 times faster than conventional first-principles molecular dynamics methods based on density-functional theory (DFT), and the accuracy was also validated for various metals and metal oxides compared with DFT results. To assure multi-scale multi-physics computational chemistry simulation based on the UA-QCMD method for

  4. HISTOPATHOLOGICAL SCALE AND SYNOVITIS ALGORITHM – 15 YEARS OF EXPERIENCE: EVALUATION AND FOLLOWING PROGRESS

    Directory of Open Access Journals (Sweden)

    V. Krenn

    2017-01-01

    Full Text Available The diagnostic  histopathology scales are mainly  the  multilevel  evaluation systems. The same principle  is lying in the  basis of synovitis  scale elaboration. This  scale gradually  and  semi-quantitatively assesses the  inflammatory and immunological changes in case of synovitis  considering  three  synovial components: thickness  of synovial cellular layer, cellular  stroma  density  and  severity  of inflammatory infiltration. The  scale comprises  four semi-quantitative  grades: normal 0, mild, moderate  and severe. Scale points from 0 to 9 are summated. Such sum evaluation allows to identify high and low degree synovitis.  Scale points  from 1 to ≤4 correspond to low degree synovitis  which determines and includes the following diagnosis: arthritis associated  synovitis;  synovitis  associated  with  meniscus  pathology;  hemochromatosis associated  synovitis.  Scale points  from ≥5 to  9 determine high  degree  synovitis  including  diagnosis  like rheumatoid arthritis; psoriatic  arthritis; Lyme arthritis; post  infection  (reactive arthritis and  peripheral arthritis in Bekhterev’s disease. Thus, the synovitis scale allows to assess degenerative or posttraumatic (low degree synovitis and inflammatoryrheumatoid pathology  (high  degree  synovitis based  on histopathological diagnostics with  sensitivity of 61,7% and specificity  of 96,1%. The scale is characterized by a good diagnostics significance  by ROC  analysis (area  under  curve: 0,8–0,9.  Two versions of synovitis  scale was published:  first in 2002, second reworked  in 2006 and the latter includes the concept  of subdivision  into two groups of high and low degree synovitis.  Thanking to both  versions a national  and international recognition of histological  evaluation during  15 years was gained.   To clarity  diagnosis description using synovitis  scale particularly in rheumatology various

  5. Solution chemistry

    Energy Technology Data Exchange (ETDEWEB)

    None

    1973-07-01

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

  6. Progress in scale-up of second-generation high-temperature superconductors at SuperPower Inc

    International Nuclear Information System (INIS)

    Xie, Y.-Y.; Knoll, A.; Chen, Y.; Li, Y.; Xiong, X.; Qiao, Y.; Hou, P.; Reeves, J.; Salagaj, T.; Lenseth, K.; Civale, L.; Maiorov, B.; Iwasa, Y.; Solovyov, V.; Suenaga, M.; Cheggour, N.; Clickner, C.; Ekin, J.W.; Weber, C.; Selvamanickam, V.

    2005-01-01

    SuperPower is focused on scaling up second-generation (2-G) high-temperature superconductor (HTS) technology to pilot-scale manufacturing. The emphasis of this program is to develop R and D solutions for scale-up issues in pilot-scale operations to lay the foundation for a framework for large-scale manufacturing. Throughput continues to be increased in all process steps including substrate polishing, buffer and HTS deposition. 2-G HTS conductors have been produced in lengths up to 100 m. Process optimization with valuable information provided by several unique process control and quality-control tools has yielded performances of 6000-7000 A m (77 K, 0 T) in 50-100 m lengths using two HTS fabrication processes: metal organic chemical vapor deposition (MOCVD) and pulsed laser deposition (PLD). Major progress has been made towards the development of practical conductor configurations. Modifications to the HTS fabrication process have resulted in enhanced performance in magnetic fields. Industrial slitting and electroplating processes have been successfully adopted to fabricate tapes in width of 4 mm and with copper stabilizer for cable and coil applications. SuperPower's conductor configuration has yielded excellent mechanical properties and overcurrent carrying capability. Over 60 m of such practical conductors with critical current over 100 A/cm-width have been delivered to Sumitomo Electric Industries, Ltd. for prototype cable construction

  7. Progress in scale-up of second-generation high-temperature superconductors at SuperPower Inc

    Energy Technology Data Exchange (ETDEWEB)

    Xie, Y.-Y. [SuperPower Inc., 450 Duane Ave., Schenectady, NY 12304 (United States)]. E-mail: yxie@igc.com; Knoll, A. [SuperPower Inc., 450 Duane Ave., Schenectady, NY 12304 (United States); Chen, Y. [SuperPower Inc., 450 Duane Ave., Schenectady, NY 12304 (United States); Li, Y. [SuperPower Inc., 450 Duane Ave., Schenectady, NY 12304 (United States); Xiong, X. [SuperPower Inc., 450 Duane Ave., Schenectady, NY 12304 (United States); Qiao, Y. [SuperPower Inc., 450 Duane Ave., Schenectady, NY 12304 (United States); Hou, P. [SuperPower Inc., 450 Duane Ave., Schenectady, NY 12304 (United States); Reeves, J. [SuperPower Inc., 450 Duane Ave., Schenectady, NY 12304 (United States); Salagaj, T. [SuperPower Inc., 450 Duane Ave., Schenectady, NY 12304 (United States); Lenseth, K. [SuperPower Inc., 450 Duane Ave., Schenectady, NY 12304 (United States); Civale, L. [Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Maiorov, B. [Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Iwasa, Y. [Massachusetts Institute of Technology, Cambridge, MA 02139 (United States); Solovyov, V. [Brookhaven National Laboratory, Upton, NY 11973 (United States); Suenaga, M. [Brookhaven National Laboratory, Upton, NY 11973 (United States); Cheggour, N. [National Institute of Standards and Technology, Boulder, CO 80305 (United States); Clickner, C. [National Institute of Standards and Technology, Boulder, CO 80305 (United States); Ekin, J.W. [National Institute of Standards and Technology, Boulder, CO 80305 (United States); Weber, C. [SuperPower Inc., 450 Duane Ave., Schenectady, NY 12304 (United States); Selvamanickam, V. [SuperPower Inc., 450 Duane Ave., Schenectady, NY 12304 (United States)

    2005-10-01

    SuperPower is focused on scaling up second-generation (2-G) high-temperature superconductor (HTS) technology to pilot-scale manufacturing. The emphasis of this program is to develop R and D solutions for scale-up issues in pilot-scale operations to lay the foundation for a framework for large-scale manufacturing. Throughput continues to be increased in all process steps including substrate polishing, buffer and HTS deposition. 2-G HTS conductors have been produced in lengths up to 100 m. Process optimization with valuable information provided by several unique process control and quality-control tools has yielded performances of 6000-7000 A m (77 K, 0 T) in 50-100 m lengths using two HTS fabrication processes: metal organic chemical vapor deposition (MOCVD) and pulsed laser deposition (PLD). Major progress has been made towards the development of practical conductor configurations. Modifications to the HTS fabrication process have resulted in enhanced performance in magnetic fields. Industrial slitting and electroplating processes have been successfully adopted to fabricate tapes in width of 4 mm and with copper stabilizer for cable and coil applications. SuperPower's conductor configuration has yielded excellent mechanical properties and overcurrent carrying capability. Over 60 m of such practical conductors with critical current over 100 A/cm-width have been delivered to Sumitomo Electric Industries, Ltd. for prototype cable construction.

  8. Progress report 1965. Nuclear chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Carleson, G

    1967-05-15

    A systematic investigation of properties, such as solubilities and vapour pressures, for a series of hydrated and unhydrated salts in light and heavy water is being carried out from 60 deg C down to eutectic temperatures. Phase diagrams have been constructed and isotopic hydrogen-deuterium effects determined. By means of a pulse radiolysis equipment, newly set up at Risoe, the spectrum of the hydroxyl radical has been identified and studied in carefully purified water, saturated with N{sub 2}O or argon. A spectrum similar to that of the solvated electron has been observed during irradiation of ice crystals with good transparency. As part of a project to develop methods for the manufacture of wood-polymer combinations of industrial interest, properties such as grafting of vinyl polymers onto swollen and native microstructural elements of various wood species, copolymerization of solvent and monomer, and trapping of solvent inside the polymer network have been studied and related to physical properties of the new material, among others water absorption, dimensional stability, and hardness. Inorganic ion exchangers of phosphate type are fairly stable to radiation and elevated temperature and might therefore be applied for the direct purification of the circulating cooling water in a power reactor. The sorption behaviour and affinity of zirconium and iron (ill) phosphate gels, prepared in various ways, to some of the more important corrosion products have been investigated in nitrate solutions at room temperature; the experiments are planned to be continued at higher temperatures.

  9. Progress report 1965. Nuclear chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Carleson, G

    1966-04-15

    Isotopic hydrogen-deuterium effects down to eutectic temperatures in saturated halide and nitrate solutions have been investigated by means of Rayleigh distillations and solubility determinations. A thorough study of the fission-fragment-induced emission of uranium atoms from uranium metal and dioxide has been concluded. Supplementary and new experiments were performed in various atmospheres and at different pressures, and the results and mechanism theoretically interpreted. In order to study the energy transfer mechanism the heterogeneous system n-hexane/silica gel was irradiated with a y-ray source. The products formed were identified by gas chromatography and ESR spectroscopy and their G-values determined. New and efficient methods of separating mixed fission products from an acid and highly active waste solution containing large amounts of uranyl nitrate are required for the reprocessing of plutonium-enriched fuel elements by amine extraction. As part of a project to achieve this separation by eutectic freezing the ternary phase diagram of simulated waste solution was studied and solubilities were determined at low temperatures. Work on the separation of fission products of interest by means of inorganic ion exchangers has also been carried out. The properties and affinities of zirconium phosphates and zirconium silicate phosphates were studied. It was shown that high loads of caesium may be selectively sorbed on partially dehydrated zirconium phosphate gels.

  10. Progress report 1967. Nuclear chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Carleson, G

    1968-05-15

    The systematic investigation of phase diagrams of inorganic salts in heavy and light water at medium and low temperatures has continued. Solubilities of salts which crystallize anhydrously or as simple or mixed hydrates were measured and related to isotopic effects. Pulse radiolytic studies of water and ice crystals have been carried out by a Danish-Swedish research team at Risoe. The spectrum of the hydroxyl radical was carefully measured in various atmospheres and pressures down to 200 nm and interpreted. The decay of the 'solvated electron' was shown to be of different orders in pure and HF-containing ice crystals. G-values have been determined for products such as phenol, hydrogen peroxide, and acids after gamma radiolysis of aqueous benzene and toluene systems and were used to interpret the mechanisms in various atmospheres. Wood-polymer combinations between native Scandinavian woods and vinyl monomers have been manufactured. Monomer conversion as a function of dose and diluting agent, the trapping of solvent inside polymer network and graft polymerization were systematically studied by means of extractive and gas chromatographic technique. ESR spectra gave difficultly interpretable information about the formation of radicals in the mixed phases, but interesting results about radical pairs formed during irradiation of monocrystals of methyl methacrylate have now been obtained. The phosphate leakage from a zirconium phosphate ion exchanger was found to be drastically reduced if gels of intermediate crystallinity were prepared by a special procedure and thoroughly washed. At room temperature such gels are stable to attrition, show a good resistance to hydrolysis up to pH {approx} 10, and their sorption properties are only slightly altered compared to more amorphous gels, -which makes them interesting for the direct purification of reactor cooling water. Properties at operating temperatures are now being studied. Some design and construction parameters for an internal cardiac pace-maker, powered by a Pu 238 isotope battery, have been studied. The radiation dose contributions from gammas and neutrons were calculated as a function of shielding and source purity and after special precautions shown to be acceptable according to international rules.

  11. Progress report 1968. Nuclear chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Carleson, G

    1969-05-15

    The systematic investigation of phase diagrams of inorganic salts in light and heavy water at medium and low temperature has proceeded according to plan. Solubilities have been determined mainly for alkali and alkaline earth metal halides. A connection between solubilities and water structure in the salt solutions formed has been observed. Spectra of H and OH radicals as well as other transients have been recorded, and their rate constants determined by pulse radiolytic technique in aqueous solutions of aniline and other admixtures. Trapped electrons and OH radicals are being studied with the same technique in H{sub 2}O ice and D{sub 2}O ice at various temperatures. Decay kinetics and G values have been calculated. Aqueous solutions of benzene and toluene have also been investigated after gamma radiolysis. The radiation induced polymerization in single crystals of vinyl monomers, prepared according to a method which is described, is being studied by means of ESR technique. Evidence for radical pair formation has been observed. X-ray diffraction analysis is used to determine the crystal structures, thereby contributing to a more complete interpretation of the ESR spectra. The polymerization efficiency as well as the formation of grafting and homopolymers in wood polymer combinations between native Scandinavian woods and vinyl or/and polyester monomers have been studied as a function of total dose, dose rate, diluting agents, and humidity. E r r a t i c reproducibility was observed for the pine-methylmethacrylate system which makes this material less useful in industrial applications. Neutron and photonuclear activation analysis, partly in combination with a low temperature technique, have been used to determine micro amounts of iodine and some other elements in pharmaceuticals and biological tissue. A special geometrical arrangement was adapted for multiple sample irradiation. Methods for the preparation of inorganic ion exchangers of zirconium phosphate type with a very low phosphate leakage even at high temperatures have been discovered. The crystallinity of the resin was found to have a profound influence and was studied in detail. Zirconium hydroxide gels were also prepared and their affinities towards various anions studied. An investigation of the radiation stability of inorganic ion exchangers in the dose range 1 -10 Mrads has recently started. A cardiac pacemaker prototype powered by an isotopic battery is being developed and manufactured. Various design parameters and gamma sterilization problems have been studied.

  12. Progress report 1970. Nuclear chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Carleson, G

    1971-04-15

    Pulse radiolysis of crystalline H{sub 2}O and D{sub 2}O ice has been performed in order to study the transient trapping of electrons. Spectra and temperature displacements were recorded over a large temperature interval. Yields were determined in the range 0 to - 50 deg C. By means of computer calculations the kinetics was shown to be a general second order reaction between electrons and protons with a proton excess which increases as the temperature decreases. Rate constants and activation energies have been determined. Aqueous solutions of aniline and similar aromatics have been irradiated with gammas and pulsed electrons. Obtained G-values indicate equal efficiencies of H atoms and OH radicals for eliminating ammonia. OH radicals seem to react with aniline both by abstraction of an H atom from the NH{sub 2} group and by addition to the benzene nucleus. Charged particles have been used to analyse the surface distribution of carbon and oxygen in various metals, e. g. steel and aluminium. The carbon content was preferentially determined by following the disintegration of N obtained in the reaction 12C(p, gamma)13N. The positron emitter 17F formed in the reaction 16O0(d, n)17F was used in a similar way for oxygen analysis. Zirconium phosphate gels have been prepared which combine a low phosphate release with a high affinity for common steel corrosion products. The phosphate residue can be completely sorbed on a zirconium hydroxide gel without the release of any new acid or basic species. The sorption characteristics of consecutive ion exchanger columns in the temperature range 20 - 127 C have been shown to be very favourable on the whole

  13. Progress report 1966. Nuclear chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Carleson, G

    1967-05-15

    A systematic investigation of properties, such as solubilities and vapour pressures, for a series of hydrated and unhydrated salts in light and heavy water is being carried out from 60 deg C down to eutectic temperatures. Phase diagrams have been constructed and isotopic hydrogen-deuterium effects determined. By means of a pulse radiolysis equipment, newly set up at Risoe, the spectrum of the hydroxyl radical has been identified and studied in carefully purified water, saturated with N{sub 2}O or argon. A spectrum similar to that of the solvated electron has been observed during irradiation of ice crystals with good transparency. As part of a project to develop methods for the manufacture of wood-polymer combinations of industrial interest, properties such as grafting of vinyl polymers onto swollen and native microstructural elements of various wood species, copolymerization of solvent and monomer, and trapping of solvent inside the polymer network have been studied and related to physical properties of the new material, among others water absorption, dimensional stability, and hardness. Inorganic ion exchangers of phosphate type are fairly stable to radiation and elevated temperature and might therefore be applied for the direct purification of the circulating cooling water in a power reactor. The sorption behaviour and affinity of zirconium and iron (ill) phosphate gels, prepared in various ways, to some of the more important corrosion products have been investigated in nitrate solutions at room temperature; the experiments are planned to be continued at higher temperatures.

  14. JPRS Report, Science & Technology, USSR: Chemistry.

    Science.gov (United States)

    1987-07-15

    dust and gas emissions from ferrous and nonferrous metallurgical facilities on vegetable crops of 42 collective farms within a 10-15 km radius...the dust and gas wastes were determined to have adverse effects on vegetable crops. Tables 3. 12172/12379 CSO: 1841/299 43 FERTILIZERS...academy’s Institute of physical-Organic Chemistry, head of the republic large-scale program " Membrana "] [Abstract] The author assesses progress in

  15. Revisiting the generalized scaling law for adhesion: role of compliance and extension to progressive failure.

    Science.gov (United States)

    Mojdehi, Ahmad R; Holmes, Douglas P; Dillard, David A

    2017-10-25

    A generalized scaling law, based on the classical fracture mechanics approach, is developed to predict the bond strength of adhesive systems. The proposed scaling relationship depends on the rate of change of debond area with compliance, rather than the ratio of area to compliance. This distinction can have a profound impact on the expected bond strength of systems, particularly when the failure mechanism changes or the compliance of the load train increases. Based on the classical fracture mechanics approach for rate-independent materials, the load train compliance should not affect the force capacity of the adhesive system, whereas when the area to compliance ratio is used as the scaling parameter, it directly influences the bond strength, making it necessary to distinguish compliance contributions. To verify the scaling relationship, single lap shear tests were performed for a given pressure sensitive adhesive (PSA) tape specimens with different bond areas, number of backing layers, and load train compliance. The shear lag model was used to derive closed-form relationships for the system compliance and its derivative with respect to the debond area. Digital image correlation (DIC) is implemented to verify the non-uniform shear stress distribution obtained from the shear lag model in a lap shear geometry. The results obtained from this approach could lead to a better understanding of the relationship between bond strength and the geometry and mechanical properties of adhesive systems.

  16. Progressive atrophic rhinitis in a medium-scale pig farm in Kiambu, Kenya : case report

    Directory of Open Access Journals (Sweden)

    J.K. Wabacha

    2000-07-01

    Full Text Available Forty-two pigs in a herd of 117 displayed various clinical signs of progressive atrophic rhinitis. The main signs included sneezing, coughing, lachrymation, serous to muco-purulent nasal discharge, and nasal bleeding in 1 pig. Three pigs had lateral deviation of the snout, while 4 had brachygnathia superior with obvious deformation of the face. Four acutely affected weaner pigs appeared weak, while the 7 chronically-affected pigs appeared smaller than their apparently unaffected penmates of the same age. Treatment of the acutely affected pigs with long-acting oxytetracycline at 20 mg/kg body weight intra-muscularly, repeated once after 7 days, reduced the severity but did not clear the sneezing from all the pigs. Fifteen pigs were slaughtered 2 months after the clinical diagnosis was made. The carcasses of the chronically affected pigs were about 15 % lighter than those of the apparently normal pigs of the same age and from the same pen, which translated to a loss of 921.00 Kenya shillings per pig (US$13.7. Diagnosis of progressive atrophic rhinitis was confirmed by sectioning the snouts of randomly selected slaughtered pigs with obvious deformation of the snout. Sections were madeat the level of the 1st/2nd upper premolar tooth. Varying degrees of turbinate atrophy, from mild to complete, were noted. Histopathology of the turbinates revealed metaplasia of nasal epithelium and fibrosis in the lamina propria.

  17. Recent progress in simulating galaxy formation from the largest to the smallest scales

    Science.gov (United States)

    Faucher-Giguère, Claude-André

    2018-05-01

    Galaxy formation simulations are an essential part of the modern toolkit of astrophysicists and cosmologists alike. Astrophysicists use the simulations to study the emergence of galaxy populations from the Big Bang, as well as the formation of stars and supermassive black holes. For cosmologists, galaxy formation simulations are needed to understand how baryonic processes affect measurements of dark matter and dark energy. Owing to the extreme dynamic range of galaxy formation, advances are driven by novel approaches using simulations with different tradeoffs between volume and resolution. Large-volume but low-resolution simulations provide the best statistics, while higher-resolution simulations of smaller cosmic volumes can be evolved with self-consistent physics and reveal important emergent phenomena. I summarize recent progress in galaxy formation simulations, including major developments in the past five years, and highlight some key areas likely to drive further advances over the next decade.

  18. dV/dt - Accelerating the Rate of Progress towards Extreme Scale Collaborative Science

    Energy Technology Data Exchange (ETDEWEB)

    Livny, Miron [Univ. of Wisconsin, Madison, WI (United States)

    2018-01-22

    This report introduces publications that report the results of a project that aimed to design a computational framework that enables computational experimentation at scale while supporting the model of “submit locally, compute globally”. The project focuses on estimating application resource needs, finding the appropriate computing resources, acquiring those resources,deploying the applications and data on the resources, managing applications and resources during run.

  19. Cross-flow turbines: progress report on physical and numerical model studies at large laboratory scale

    Science.gov (United States)

    Wosnik, Martin; Bachant, Peter

    2016-11-01

    Cross-flow turbines show potential in marine hydrokinetic (MHK) applications. A research focus is on accurately predicting device performance and wake evolution to improve turbine array layouts for maximizing overall power output, i.e., minimizing wake interference, or taking advantage of constructive wake interaction. Experiments were carried with large laboratory-scale cross-flow turbines D O (1 m) using a turbine test bed in a large cross-section tow tank, designed to achieve sufficiently high Reynolds numbers for the results to be Reynolds number independent with respect to turbine performance and wake statistics, such that they can be reliably extrapolated to full scale and used for model validation. Several turbines of varying solidity were employed, including the UNH Reference Vertical Axis Turbine (RVAT) and a 1:6 scale model of the DOE-Sandia Reference Model 2 (RM2) turbine. To improve parameterization in array simulations, an actuator line model (ALM) was developed to provide a computationally feasible method for simulating full turbine arrays inside Navier-Stokes models. Results are presented for the simulation of performance and wake dynamics of cross-flow turbines and compared with experiments and body-fitted mesh, blade-resolving CFD. Supported by NSF-CBET Grant 1150797, Sandia National Laboratories.

  20. Progress of organic matter degradation and maturity of compost produced in a large-scale composting facility.

    Science.gov (United States)

    Nakasaki, Kiyohiko; Marui, Taketoshi

    2011-06-01

    To monitor the progress of organic matter degradation in a large-scale composting facility, the percentage of organic matter degradation was determined by measuring CO(2) evolution during recomposting of compost samples withdrawn from the facility. The percentage of organic matter degradation was calculated as the ratio of the amount of CO(2) evolved from compost raw material to that evolved from each sample during recomposting in the laboratory composting apparatus. It was assumed that the difference in the cumulative emission of CO(2) between the compost raw material and a sample corresponds to the amount of CO( 2) evolved from the sample in the composting facility. Using this method, the changes in organic matter degradation during composting in practical large-scale composting facilities were estimated and it was found that the percentage of organic matter degradation increased more vigorously in the earlier stages than in the later stages of composting. The percentage of organic matter degradation finally reached 78 and 55% for the compost produced from garbage-animal manure mixture and distillery waste (shochu residue), respectively. It was thus ascertained that organic matter degradation progressed well in both composting facilities. Furthermore, by performing a plant growth assay, it was observed that the compost products of both the facilities did not inhibit seed germination and thus were useful in promoting plant growth.

  1. Progress in Root Cause and Fault Propagation Analysis of Large-Scale Industrial Processes

    Directory of Open Access Journals (Sweden)

    Fan Yang

    2012-01-01

    Full Text Available In large-scale industrial processes, a fault can easily propagate between process units due to the interconnections of material and information flows. Thus the problem of fault detection and isolation for these processes is more concerned about the root cause and fault propagation before applying quantitative methods in local models. Process topology and causality, as the key features of the process description, need to be captured from process knowledge and process data. The modelling methods from these two aspects are overviewed in this paper. From process knowledge, structural equation modelling, various causal graphs, rule-based models, and ontological models are summarized. From process data, cross-correlation analysis, Granger causality and its extensions, frequency domain methods, information-theoretical methods, and Bayesian nets are introduced. Based on these models, inference methods are discussed to find root causes and fault propagation paths under abnormal situations. Some future work is proposed in the end.

  2. Characterizing the development of students' understandings regarding the second law of thermodynamics: Using learning progressions to illuminate thinking in high school chemistry

    Science.gov (United States)

    Cunningham, Kevin D.

    As demonstrated by their emphasis in the new, national, science education standards, learning progressions (LPs) have become a valuable means of informing teaching and learning. LPs serve this role by isolating the key components of central skills and understandings, and by describing how those abilities and concepts tend to develop over time among students in a particular context. Some LPs also identify common challenges students experience in learning specific content and suggest methods of instruction and assessment, particularly ways in which difficulties can be identified and addressed. LPs are research-based and created through the integration of content analyses and interpretations of student performances with respect to the skills and understandings in question. The present research produced two LPs portraying the development of understandings associated with the second law of thermodynamics as evidenced by the evolving explanations for the spontaneity and irreversibility of diffusion and the cooling of a hot object constructed periodically by twenty students over two consecutive years in high school chemistry. While the curriculum they experienced did not emphasize the processes of diffusion and cooling or the second law and its applications, these students received prolonged instruction regarding key aspects of the particulate nature of matter. Working in small groups and as individuals, they were also taught and regularly expected to create, test, and revise particulate-based, conceptual models to account for the properties and behavior of a wide variety of common phenomena. Although some students quickly exhibited dramatic improvements in explaining and understanding the phenomena of interest, conceptual development for most was evolutionary rather than revolutionary, and success in explaining one phenomenon did not generally translate into successes in explaining related but different phenomena. Few students reached the uppermost learning goals of

  3. Progress towards a small-scale, automated optical thin-film production capability

    International Nuclear Information System (INIS)

    Drage, D.J.; Netterfield, R.P.; Dligatch, S.; Blenman, N.; Fairman, P.S.; Katsaros, A.; Preston, E.W.

    2000-01-01

    Full text: The Optical Thin-film group at CSIRO Telecommunications and Industrial Physics (CTIP) has, working over a number of years, built up considerable expertise in producing complex dielectric, multilayer thin-film designs to meet unusual and demanding optical performance specifications. At the same time the process of vacuum deposition of dielectric materials has been advanced, particularly by the development and use of ion-assisted deposition (IAD). Proposed modifications to our existing chamber (DB600) and the addition of a new, larger diameter chamber (DD750), presently under construction, will increase output and reliability while improving quality. We will describe the changes already made to the DB600 such as: the gridless ion source, in-situ ellipsometric monitoring along with spectrophotometric monitoring, full e-beam scan on the material source, complete source shuttering and reactive deposition of SiO 2 from thermally evaporated SiO. The effects of making these beneficial changes will be described. Further changes to be made to the DB600 include, replacing its diffusion pump with a cryo-pump and automatic control of the deposition process. All the changes described for the DB600 along with a positive drive system for rotation of the substrate holder, rod feed e-gun hearths, and multiple crystal monitor heads, will be included in the DD750 design which will also be described. We believe that these improvements will give us the capability of small-scale production of reproducible, high quality filters

  4. 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.

  5. The development and utility of a novel scale that quantifies the glycemic progression toward type 1 diabetes over 6 months.

    Science.gov (United States)

    Sosenko, Jay M; Skyler, Jay S; Beam, Craig A; Boulware, David; Mahon, Jeffrey L; Krischer, Jeffrey P; Greenbaum, Carla J; Rafkin, Lisa E; Matheson, Della; Herold, Kevan C; Palmer, Jerry P

    2015-05-01

    We developed a scale to serve as a potential end point for 6-month glycemic progression (PS6M) toward type 1 diabetes (T1D) in autoantibody-positive relatives of individuals with T1D. The PS6M was developed from Diabetes Prevention Trial-Type 1 (DPT-1) data and tested in the TrialNet Pathway to Prevention Study (PTP). It is the difference between 6-month glucose sum values (30-120 min oral glucose tolerance test values) and values predicted for nonprogressors. The PS6M predicted T1D in the PTP (P 7.00 (P < 0.001 for all). The PS6M is an indicator of short-term glycemic progression to T1D that could be a useful tool for assessing preventive treatments and biomarkers. © 2015 by the American Diabetes Association. Readers may use this article as long as the work is properly cited, the use is educational and not for profit, and the work is not altered.

  6. Effect of cation exchange of major cation chemistry in the large scale redox experiment at Aespoe. Revision 1

    International Nuclear Information System (INIS)

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

    1996-06-01

    Geochemical modeling was used to test the hypothesis that cation exchange with fracture-lining clays during fluid mixing in the Aespoe Hard Rock Laboratory can significantly affect major element chemistry. Conservative mixing models do not adequately account for changes in Na, Ca and Mg concentrations during mixing. Mixing between relatively dilute shallow waters and more concentrated waters at depth along fracture zones was modeled using the EQ3/6 geochemical modeling package. A cation exchange model was added to the code to describe simultaneously aqueous speciation, mineral precipitation/dissolution, and equilibration between a fluid and a cation exchanger. Fluid chemistries predicted to result from mixing were compared with those monitored from boreholes intersecting the fracture zone. Modeling results suggest that less than 0.1 equivalent of a smectite exchanger per liter of groundwater is necessary to account for discrepancies between predictions from a conservative mixing model and measured Na and Ca concentrations. This quantity of exchanger equates to an effective fracture coating thickness of 20 microm or less given a fracture aperture width of 1,000 microm or less. Trends in cation ratios in the fluid cannot be used to predict trends in cation ratios on the exchanger because of the influence of ionic strength on heterovalent exchange equilibrium. It is expected that Na for Ca exchange will dominate when shallow waters such as HBHO2 are mixed with deeper waters. In contrast, Na for Mg exchange will dominate mixing between deeper waters

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

    International Nuclear Information System (INIS)

    2007-01-01

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

  8. 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.

  9. 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...

  10. Progress of ITER full tungsten divertor technology qualification in Japan: Manufacturing full-scale plasma-facing unit prototypes

    International Nuclear Information System (INIS)

    Ezato, Koichiro; Suzuki, Satoshi; Seki, Yohji; Yamada, Hirokazu; Hirayama, Tomoyuki; Yokoyama, Kenji; Escourbiac, Frederic; Hirai, Takeshi

    2016-01-01

    Highlights: • JADA has demonstrated the feasibility of manufacturing the full-W plasma-facing units (W-PFU). • The surface profiles of the W monoblocks of the W-PFU prototypes on the test frame to mimic the support structure of the ITER OVT were examined by using an optical three-dimensional measurement system. The results show the most W monoblock surface in the target part locates within + 0.25 mm from the CAD data. • The strict profile control with the profile tolerance of ±0.3 mm is imposed on the OVT to prevent the leading edges of the W monoblocks from over-heating. • The present full-scale prototyping demonstrates to satisfy this requirement on the surface profile. • It can be concluded that the technical maturities of JADA and its suppliers are as high as to start series manufacturing the ITER divertor components. - Abstract: Japan Atomic Energy Agency (JAEA) is in progress for technology demonstration toward Full-tungsten (W) ITER divertor outer vertical target (OVT), especially, W monoblock technology that needs to withstand the repetitive heat load as high as 20 MW/m 2 for 10 s. Under the framework of the W divertor qualification program developed ITER organization, JAEA as Japanese Domestic Agency (JADA) manufactured seven full-scale plasma-facing unit (PFU) prototypes with the Japanese industries. Four prototypes that have 146 W monoblock joint with casted copper (Cu) interlayer passed successfully the ultrasonic testing. In the other three prototypes that have the different W/Cu interlayer joint, joint defects were found. The dimension measurements reveal the requirements of the gap between W monoblocks and the surface profile of PFU are feasible.

  11. Progress of ITER full tungsten divertor technology qualification in Japan: Manufacturing full-scale plasma-facing unit prototypes

    Energy Technology Data Exchange (ETDEWEB)

    Ezato, Koichiro, E-mail: ezato.koichiro@jaea.go.jp [Department of ITER Project, Naka Fusion Institute, Sector of Fusion Research and Development, Japan Atomic Energy Agency (Japan); Suzuki, Satoshi; Seki, Yohji; Yamada, Hirokazu; Hirayama, Tomoyuki; Yokoyama, Kenji [Department of ITER Project, Naka Fusion Institute, Sector of Fusion Research and Development, Japan Atomic Energy Agency (Japan); Escourbiac, Frederic; Hirai, Takeshi [ITER Organization, route de vinon sur Verdon, 13067 St Paul lez Durance (France)

    2016-11-01

    Highlights: • JADA has demonstrated the feasibility of manufacturing the full-W plasma-facing units (W-PFU). • The surface profiles of the W monoblocks of the W-PFU prototypes on the test frame to mimic the support structure of the ITER OVT were examined by using an optical three-dimensional measurement system. The results show the most W monoblock surface in the target part locates within + 0.25 mm from the CAD data. • The strict profile control with the profile tolerance of ±0.3 mm is imposed on the OVT to prevent the leading edges of the W monoblocks from over-heating. • The present full-scale prototyping demonstrates to satisfy this requirement on the surface profile. • It can be concluded that the technical maturities of JADA and its suppliers are as high as to start series manufacturing the ITER divertor components. - Abstract: Japan Atomic Energy Agency (JAEA) is in progress for technology demonstration toward Full-tungsten (W) ITER divertor outer vertical target (OVT), especially, W monoblock technology that needs to withstand the repetitive heat load as high as 20 MW/m{sup 2} for 10 s. Under the framework of the W divertor qualification program developed ITER organization, JAEA as Japanese Domestic Agency (JADA) manufactured seven full-scale plasma-facing unit (PFU) prototypes with the Japanese industries. Four prototypes that have 146 W monoblock joint with casted copper (Cu) interlayer passed successfully the ultrasonic testing. In the other three prototypes that have the different W/Cu interlayer joint, joint defects were found. The dimension measurements reveal the requirements of the gap between W monoblocks and the surface profile of PFU are feasible.

  12. Meso-Scale Progressive Damage Behavior Characterization of Triaxial Braided Composites under Quasi-Static Tensile Load

    Science.gov (United States)

    Ren, Yiru; Zhang, Songjun; Jiang, Hongyong; Xiang, Jinwu

    2018-04-01

    Based on continuum damage mechanics (CDM), a sophisticated 3D meso-scale finite element (FE) model is proposed to characterize the progressive damage behavior of 2D Triaxial Braided Composites (2DTBC) with 60° braiding angle under quasi-static tensile load. The modified Von Mises strength criterion and 3D Hashin failure criterion are used to predict the damage initiation of the pure matrix and fiber tows. A combining interface damage and friction constitutive model is applied to predict the interface damage behavior. Murakami-Ohno stiffness degradation scheme is employed to predict the damage evolution process of each constituent. Coupling with the ordinary and translational symmetry boundary conditions, the tensile elastic response including tensile strength and failure strain of 2DTBC are in good agreement with the available experiment data. The numerical results show that the main failure modes of the composites under axial tensile load are pure matrix cracking, fiber and matrix tension failure in bias fiber tows, matrix tension failure in axial fiber tows and interface debonding; the main failure modes of the composites subjected to transverse tensile load are free-edge effect, matrix tension failure in bias fiber tows and interface debonding.

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

    International Nuclear Information System (INIS)

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

    2005-01-01

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

  14. Reburning chemistry

    International Nuclear Information System (INIS)

    Kilpin, P.; Hupa, M.; Glarborg, P.

    1992-01-01

    No reduction chemistry in natural gas (methane) reburning was studied using detailed kinetic modeling. A reaction set including 225 reversible elementary gas-phase reactions and 48 chemical species was applied to an ideal plug flow reactor, and the most important reactions leading to NO reduction were identified and quantified for a number of conditions relevant for natural gas reburning. In addition, the influence of different process parameters on the NO reduction was investigated in the reburn zone and burn-out zone, respectively. Further, comparison of the calculations to available laboratory-scale data on reburning is made. In this paper, the impact of various fluid dynamic, mixing, and chemical effects---not accounted for in the calculations---on the NO reduction and the optimum reburning conditions predicted is discussed

  15. Multi-scale analysis of bone chemistry, morphology and mechanics in the oim model of osteogenesis imperfecta.

    Science.gov (United States)

    Bart, Zachary R; Hammond, Max A; Wallace, Joseph M

    2014-08-01

    Osteogenesis imperfecta is a congenital disease commonly characterized by brittle bones and caused by mutations in the genes encoding Type I collagen, the single most abundant protein produced by the body. The oim model has a natural collagen mutation, converting its heterotrimeric structure (two α1 and one α2 chains) into α1 homotrimers. This mutation in collagen may impact formation of the mineral, creating a brittle bone phenotype in animals. Femurs from male wild type (WT) and homozygous (oim/oim) mice, all at 12 weeks of age, were assessed using assays at multiple length scales with minimal sample processing to ensure a near-physiological state. Atomic force microscopy (AFM) demonstrated detectable differences in the organization of collagen at the nanoscale that may partially contribute to alterations in material and structural behavior obtained through mechanical testing and reference point indentation (RPI). Changes in geometric and chemical structure obtained from µ-Computed Tomography and Raman spectroscopy indicate a smaller bone with reduced trabecular architecture and altered chemical composition. Decreased tissue material properties in oim/oim mice are likely driven by changes in collagen fibril structure, decreasing space available for mineral nucleation and growth, as supported by a reduction in mineral crystallinity. Multi-scale analyses of this nature offer much in assessing how molecular changes compound to create a degraded, brittle bone phenotype.

  16. 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)

  17. 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.

  18. Extending molecular simulation time scales: Parallel in time integrations for high-level quantum chemistry and complex force representations

    Energy Technology Data Exchange (ETDEWEB)

    Bylaska, Eric J., E-mail: Eric.Bylaska@pnnl.gov [Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, P.O. Box 999, Richland, Washington 99352 (United States); Weare, Jonathan Q., E-mail: weare@uchicago.edu [Department of Mathematics, University of Chicago, Chicago, Illinois 60637 (United States); Weare, John H., E-mail: jweare@ucsd.edu [Department of Chemistry and Biochemistry, University of California, San Diego, La Jolla, California 92093 (United States)

    2013-08-21

    to 14.3. The parallel in time algorithms can be implemented in a distributed computing environment using very slow transmission control protocol/Internet protocol networks. Scripts written in Python that make calls to a precompiled quantum chemistry package (NWChem) are demonstrated to provide an actual speedup of 8.2 for a 2.5 ps AIMD simulation of HCl + 4H{sub 2}O at the MP2/6-31G* level. Implemented in this way these algorithms can be used for long time high-level AIMD simulations at a modest cost using machines connected by very slow networks such as WiFi, or in different time zones connected by the Internet. The algorithms can also be used with programs that are already parallel. Using these algorithms, we are able to reduce the cost of a MP2/6-311++G(2d,2p) simulation that had reached its maximum possible speedup in the parallelization of the electronic structure calculation from 32 s/time step to 6.9 s/time step.

  19. Extending molecular simulation time scales: Parallel in time integrations for high-level quantum chemistry and complex force representations.

    Science.gov (United States)

    Bylaska, Eric J; Weare, Jonathan Q; Weare, John H

    2013-08-21

    distributed computing environment using very slow transmission control protocol/Internet protocol networks. Scripts written in Python that make calls to a precompiled quantum chemistry package (NWChem) are demonstrated to provide an actual speedup of 8.2 for a 2.5 ps AIMD simulation of HCl + 4H2O at the MP2/6-31G* level. Implemented in this way these algorithms can be used for long time high-level AIMD simulations at a modest cost using machines connected by very slow networks such as WiFi, or in different time zones connected by the Internet. The algorithms can also be used with programs that are already parallel. Using these algorithms, we are able to reduce the cost of a MP2/6-311++G(2d,2p) simulation that had reached its maximum possible speedup in the parallelization of the electronic structure calculation from 32 s/time step to 6.9 s/time step.

  20. Extending molecular simulation time scales: Parallel in time integrations for high-level quantum chemistry and complex force representations

    International Nuclear Information System (INIS)

    Bylaska, Eric J.; Weare, Jonathan Q.; Weare, John H.

    2013-01-01

    distributed computing environment using very slow transmission control protocol/Internet protocol networks. Scripts written in Python that make calls to a precompiled quantum chemistry package (NWChem) are demonstrated to provide an actual speedup of 8.2 for a 2.5 ps AIMD simulation of HCl + 4H 2 O at the MP2/6-31G* level. Implemented in this way these algorithms can be used for long time high-level AIMD simulations at a modest cost using machines connected by very slow networks such as WiFi, or in different time zones connected by the Internet. The algorithms can also be used with programs that are already parallel. Using these algorithms, we are able to reduce the cost of a MP2/6-311++G(2d,2p) simulation that had reached its maximum possible speedup in the parallelization of the electronic structure calculation from 32 s/time step to 6.9 s/time step

  1. 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....

  2. 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.

  3. 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

  4. Large-scale calculations of solid oxide fuel cell cermet anode by tight-binding quantum chemistry method

    International Nuclear Information System (INIS)

    Koyama, Michihisa; Kubo, Momoji; Miyamoto, Akira

    2005-01-01

    Improvement of anode characteristics of solid oxide fuel cells is important for the better cell performance and especially the direct use of hydrocarbons. A mixture of ceramics and metal is generally used as anode, and different combinations of ceramics and metals lead to different electrode characteristics. We performed large-scale calculations to investigate the characteristics of Ni/CeO 2 and Cu/CeO 2 anodes at the electronic level using our tight-binding quantum chemical molecular dynamics program. Charge distribution analysis clarified the electron transfer from metal to oxide in both anodes. The calculations of density of states clarified different contributions of Ni and Cu orbitals to the energy levels at around Fermi level in each cermet. Based on the obtained results, we made considerations to explain different characteristics of both cermet anodes. The effectiveness of our approach for the investigation of complex cermet system was proved

  5. Gas phase ion chemistry

    CERN Document Server

    Bowers, Michael T

    1979-01-01

    Gas Phase Ion Chemistry, Volume 2 covers the advances in gas phase ion chemistry. The book discusses the stabilities of positive ions from equilibrium gas-phase basicity measurements; the experimental methods used to determine molecular electron affinities, specifically photoelectron spectroscopy, photodetachment spectroscopy, charge transfer, and collisional ionization; and the gas-phase acidity scale. The text also describes the basis of the technique of chemical ionization mass spectrometry; the energetics and mechanisms of unimolecular reactions of positive ions; and the photodissociation

  6. 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.)

  7. 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.

  8. Scale-dependent effects of land cover on water physico-chemistry and diatom-based metrics in a major river system, the Adour-Garonne basin (South Western France)

    International Nuclear Information System (INIS)

    Tudesque, Loïc; Tisseuil, Clément; Lek, Sovan

    2014-01-01

    The scale dependence of ecological phenomena remains a central issue in ecology. Particularly in aquatic ecology, the consideration of the accurate spatial scale in assessing the effects of landscape factors on stream condition is critical. In this context, our study aimed at assessing the relationships between multi-spatial scale land cover patterns and a variety of water quality and diatom metrics measured at the stream reach level. This investigation was conducted in a major European river system, the Adour-Garonne river basin, characterized by a wide range of ecological conditions. Redundancy analysis (RDA) and variance partitioning techniques were used to disentangle the different relationships between land cover, water-chemistry and diatom metrics. Our results revealed a top-down “cascade effect” indirectly linking diatom metrics to land cover patterns through water physico-chemistry, which occurred at the largest spatial scales. In general, the strength of the relationships between land cover, physico-chemistry, and diatoms was shown to increase with the spatial scale, from the local to the basin scale, emphasizing the importance of continuous processes of accumulation throughout the river gradient. Unexpectedly, we established that the influence of land cover on the diatom metric was of primary importance both at the basin and local scale, as a result of discontinuous but not necessarily antagonist processes. The most detailed spatial grain of the Corine land cover classification appeared as the most relevant spatial grain to relate land cover to water chemistry and diatoms. Our findings provide suitable information to improve the implementation of effective diatom-based monitoring programs, especially within the scope of the European Water Framework Directive. - Highlights: •The spatial scale dependence of the “cascade effect” in a river system has been demonstrated. •The strength of the relationships between land cover and diatoms through

  9. Scales

    Science.gov (United States)

    Scales are a visible peeling or flaking of outer skin layers. These layers are called the stratum ... Scales may be caused by dry skin, certain inflammatory skin conditions, or infections. Examples of disorders that ...

  10. The contribution of electronically excited states to the radiation chemistry of organic systems: Progress report, June 30, 1985-December 30, 1987

    International Nuclear Information System (INIS)

    Lipsky, S.

    1987-01-01

    Research progress is reported on the following topics: effects of electron scavengers on the escape probabilities of geminate ion pairs, mechanism of liquid scintillation counter, photoionization of solutes in nonpolar liquids, kinetics of recombination of geminate ion pairs, and fluorescence of saturated hydrocarbons

  11. Characterizing the Development of Students' Understandings regarding the Second Law of Thermodynamics: Using Learning Progressions to Illuminate Thinking in High School Chemistry

    Science.gov (United States)

    Cunningham, Kevin D.

    2011-01-01

    As demonstrated by their emphasis in the new, national, science education standards, learning progressions (LPs) have become a valuable means of informing teaching and learning. LPs serve this role by isolating the key components of central skills and understandings, and by describing how those abilities and concepts tend to develop over time…

  12. Coal anion structure and chemistry of coal alkylation. Fourth quarterly progress report, December 1, 1977--February 28, 1978. [Carbon atoms in butyl groups

    Energy Technology Data Exchange (ETDEWEB)

    Stock, L.M.

    1978-01-01

    Three research problems are in progress. First, work is progressing well concerning the methods appropriate for the reductive alkylation of Illinois No. 6 coal samples. We have investigated the influence of the leaving group on the conversion of the Illinois coal to a soluble material. We find that the n-butyl iodide is more effective than other n-butyl halides. Second, preliminary results have been obtained concerning the distribution of hydrogen and deuterium atoms in the reaction of Illinois No. 6 coal samples with perdeuteriotetralin at 400/sup 0/C. Third, the nuclear magnetic resonance spectra of appropriate model compounds with n-butyl groups have been tabulated for comparison with the spectroscopic results obtained from coal alkylation products. Fourth, the chromatographic procedures necessary for the separation of the coal samples are being developed.

  13. Green Chemistry Metrics with Special Reference to Green Analytical Chemistry

    OpenAIRE

    Marek Tobiszewski; Mariusz Marć; Agnieszka Gałuszka; Jacek Namieśnik

    2015-01-01

    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-establis...

  14. 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.

  15. 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

  16. 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)

  17. Chemistry Technology

    Data.gov (United States)

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

  18. General Aspects and First Progress Report on a Frame of a Research on Specific Professional Knowledge of Chemistry Teachers Associated with the Notion of Chemical Nomenclature

    Directory of Open Access Journals (Sweden)

    Gerardo Andrés Perafán Echeverri

    2014-04-01

    Full Text Available Within the framework of research about professional teacher’s knowledge, our business is to identify and to characterize with case study method, a kind of specific professional teacher´s knowledge of Chemistry professorate, associated to the chemical nomenclature notion. This kind of research guides the sight to the teaching contents, but it postulates the teacher as an essential actor of that knowledge, rather than ignore of the other actors (didactic community, researchers, specialists, students, etc. our research realizes the specific construction that the teacher makes, beyond the «spontaneous epistemologies» category, between others, which seems to deny an academic and discipline character of the built knowledge by the teachers. First, we show a brief reference to the research program on professional teacher´s knowledge which frames in the development of research line about Specific Professional Teacher´s Knowledge associated with Particular Categories, which belongs to the research group «Por las Aulas Colombianas- INVAUCOL». After that, we show a short justification about the choice of the particular category: chemical nomenclature, as a studied object, besides the historical importance that it has to the professional teaching consolidation, recognizing the teacher´s specific contributions to discipline body construction of school knowledge. Finally, weset in consideration some general methodological criteria defined in this research, and we show too, some preliminary reflections derived from field work in thepresent state of the project.

  19. THE PROGRESS STUDY OF TRADITIONAL TURKISH MUSIC LESSONS SELF-EFFICACY PERCEPTION SCALE FOR MUSIC TEACHING PROGRAMME

    Directory of Open Access Journals (Sweden)

    Koray Celenk

    2017-01-01

    Full Text Available The aim of this research is to develop a scale in order to determine the perspective of self-efficacy related to the course Traditional Turkish Music (Traditional Turkish Folk Music/Traditional Turkish Classical Music, which takes place in the curriculum of Faculty of Education, Department of Fine Arts Education, Division of Music Education. The working group of this research consists of 97 students who receive training in the division of Music Education in Atatürk, Niğde (Ömer Halisdemir, Uludağ and Pamukkale Universities. The research is a descriptive study. In the research, general scanning method has been used, self efficacy- scale both in and non-area have been examined, literature review has been done and a scale, as research result, has been developed in order to determine possible Music teachers’ perspective of self-efficacy related to the course Traditional Turkish Music. An item pool has been formed for the validity of the scale, having prepared an expert opinion form the items have been submitted for consideration, getting the content validity ratios (CVR of the items and the content validity index of the whole scale, taking the margin of error of 5 percent, statistical significance has been tested. To determine the construct validity of the scale the factor analysis has been made and it has been confirmed that the scale has a single factor structure and establishes construct validity. Pilot scheme has been done to check the validity of the scale. Within this scope, the reliability coefficient of the scale has been calculated as 0.842 cronbach’s alpha and the scale developed is highly reliable. As a result, the scale developed is a valid and reliable tool to determine possible Music teachers’ perspective of self-efficacy related to the course Traditional Turkish Music.

  20. Mathematics for physical chemistry

    CERN Document Server

    Mortimer, Robert G

    2005-01-01

    Mathematics for Physical Chemistry, Third Edition, is the ideal text for students and physical chemists who want to sharpen their mathematics skills. It can help prepare the reader for an undergraduate course, serve as a supplementary text for use during a course, or serve as a reference for graduate students and practicing chemists. The text concentrates on applications instead of theory, and, although the emphasis is on physical chemistry, it can also be useful in general chemistry courses. The Third Edition includes new exercises in each chapter that provide practice in a technique immediately after discussion or example and encourage self-study. The first ten chapters are constructed around a sequence of mathematical topics, with a gradual progression into more advanced material. The final chapter discusses mathematical topics needed in the analysis of experimental data.* Numerous examples and problems interspersed throughout the presentations * Each extensive chapter contains a preview, objectives, and ...

  1. Nuclear chemistry

    International Nuclear Information System (INIS)

    Vertes, A.; Kiss, I.

    1987-01-01

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

  2. Nuclear chemistry

    International Nuclear Information System (INIS)

    Vertes, A.; Kiss, I.

    1987-01-01

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

  3. Study of the atmospheric chemistry of radon progeny in laboratory and real indoor atmospheres. Progress report, July 1, 1991--June 30, 1992

    Energy Technology Data Exchange (ETDEWEB)

    Hopke, P.K.

    1992-07-01

    This report covers the second year of the 28 month grant current grant to Clarkson University to study the chemical and physical behavior of the polonium 218 atom immediately following its formation by the alpha decay of radon. Because small changes in size for activity result in large changes in the delivered dose per unit exposure, this behavior must be understood if the exposure to radon progeny and it dose to the cells in the respiratory tract are to be fully assessed. Two areas of radon progeny behavior are being pursued; laboratory studies under controlled conditions to better understand the fundamental physical and chemical process that affect the progeny`s atmospheric behavior and studies in actual indoor environments to develop a better assessment of the exposure of the occupants of that space to the size and concentration of the indoor radioactive aerosol. This report describes the progress toward achieving these objectives.

  4. Small scale laboratory studies of flow and transport phenomena in pores and fractures: Phase II. Progress report, 3rd year continuation proposal, and work plan

    Energy Technology Data Exchange (ETDEWEB)

    Wilson, J.L.

    1994-05-01

    Small scale laboratory experiments, equipped with an ability to actually observe behavior on the pore level using microscopy, provide an economical and easily understood scientific tool to help us validate concepts and assumptions about the transport of contaminants, and offers the propensity to discover heretofore unrecognized phenomena or behavior. The main technique employs etched glass micromodels, composed of two etched glass plates, sintered together, to form a two dimensional network of three dimensional pores. Flow and transport behavior is observed on a pore or pore network level, and recorder on film and video tape. This technique is coupled with related column studies. These techniques have been used to study multiphase flow, colloid transport and most recently bacteria transport. The project has recently moved to the Bacteria Transport Subprogram, and efforts have been redirected to support that Subprogram and its collaborative field experiment. We proposed to study bacteria transport factors of relevance to the field experiment, using micromodels and other laboratory techniques. Factors that may be addressed include bacteria characteristics (eg, hydrophobicity), pore size and shape, permeability heterogeneity, surface chemistry (eg, iron oxide coatings), surface chemistry heterogeneity, active versus resting cell bacteria, and mixed bacteria populations. In other work we will continue to examine the effects of fluid-fluid interfaces on bacteria transport, and develop a new assay for bacteria hydrophobicity. Finally we will collaborate on characterization of the field site, and the design, operation, and interpretation of the field experiment.

  5. The Relationships between University Students' Chemistry Laboratory Anxiety, Attitudes, and Self-Efficacy Beliefs

    Science.gov (United States)

    Kurbanoglu, N. Izzet; Akin, Ahmet

    2010-01-01

    The aim of this study is to examine the relationships between chemistry laboratory anxiety, chemistry attitudes, and self-efficacy. Participants were 395 university students. Participants completed the Chemistry Laboratory Anxiety Scale, the Chemistry Attitudes Scale, and the Self-efficacy Scale. Results showed that chemistry laboratory anxiety…

  6. A high-resolution record of Holocene millennial-scale oscillations of surface water, foraminiferal paleoecology and sediment redox chemistry in the SE Brazilian margin

    Science.gov (United States)

    Dias, B. B.; Barbosa, C. F.; Albuquerque, A. L.; Piotrowski, A. M.

    2014-12-01

    Holocene millennial-scale oscillations and Bond Events (Bond et al. 1997) are well reported in the North Atlantic as consequence of fresh water input and weaking of the Atlantic Meridional Overturning Circulation (AMOC). It has been hypothesized that the effect of weaking of AMOC would lead to warming in the South Atlantic due to "heat piracy", causing surface waters to warm and a reorganization of surface circulation. There are few reconstructions of AMOC strength in the South Atlantic, and none with a high resolution Holocene record of changes of productivity and the biological pump. We reconstruct past changes in the surface water mass hydrography, productivity, and sediment redox changes in high-resolution in the core KCF10-01B, located 128 mbsl water depth off Cabo Frio, Brazil, a location where upwelling is strongly linked to surface ocean hydrography. We use Benthic Foraminiferal Accumulation Rate (BFAR) to reconstruct productivity, which reveals a 1.3kyr cyclicity during the mid- and late-Holocene. The geochemistry of trace and rare earth elements on foraminiferal Fe-Mn oxide coatings show changes in redox-sensitive elements indicating that during periods of high productivity there were more reducing conditions in sediment porewaters, producing a Ce anomaly and reduction and re-precipitation of Mn oxides. Bond events 1-7 were identified by a productivity increase along with reducing sediment conditions which was likely caused by Brazil Current displacement offshore allowing upwelling of the nutritive bottom water South Atlantic Central Waters (SACW) to the euphotic zone and a stronger local biological pump. In a global context, correlation with other records show that this occurred during weakened AMOC and southward displacement of the ITCZ. We conclude that Bond climatic events and millennial-scale variability of AMOC caused sea surface hydrographic changes off the Brazilian Margin leading to biological and geochemical changes recorded in coastal records

  7. 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.

  8. 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.

  9. 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,

  10. A turbulent time scale based k–ε model for probability density function modeling of turbulence/chemistry interactions: Application to HCCI combustion

    International Nuclear Information System (INIS)

    Maroteaux, Fadila; Pommier, Pierre-Lin

    2013-01-01

    Highlights: ► Turbulent time evolution is introduced in stochastic modeling approach. ► The particles number is optimized trough a restricted initial distribution. ► The initial distribution amplitude is modeled by magnitude of turbulence field. -- Abstract: Homogenous Charge Compression Ignition (HCCI) engine technology is known as an alternative to reduce NO x and particulate matter (PM) emissions. As shown by several experimental studies published in the literature, the ideally homogeneous mixture charge becomes stratified in composition and temperature, and turbulent mixing is found to play an important role in controlling the combustion progress. In a previous study, an IEM model (Interaction by Exchange with the Mean) has been used to describe the micromixing in a stochastic reactor model that simulates the HCCI process. The IEM model is a deterministic model, based on the principle that the scalar value approaches the mean value over the entire volume with a characteristic mixing time. In this previous model, the turbulent time scale was treated as a fixed parameter. The present study focuses on the development of a micro-mixing time model, in order to take into account the physical phenomena it stands for. For that purpose, a (k–ε) model is used to express this micro-mixing time model. The turbulence model used here is based on zero dimensional energy cascade applied during the compression and the expansion cycle; mean kinetic energy is converted to turbulent kinetic energy. Turbulent kinetic energy is converted to heat through viscous dissipation. Besides, in this study a relation to calculate the initial heterogeneities amplitude is proposed. The comparison of simulation results against experimental data shows overall satisfactory agreement at variable turbulent time scale

  11. Study of the atmospheric chemistry of radon progeny in laboratory and real indoor atmospheres. Progress report, May 1, 1993--January 31, 1994

    Energy Technology Data Exchange (ETDEWEB)

    Hopke, P.K.

    1993-01-01

    Progress is reported on the chemical and physical behavior of the {sup 218}Po atom immediately following its formation by the alpha decay of radon. Two areas of radon progeny behavior are being pursued; laboratory studies under controlled conditions to better understand the fundamental physical and chemical processes that affect the progeny`s atmospheric behavior and studies in actual indoor environments to develop a better assessment of the exposure of the occupants of that space to the size and concentration of the indoor radioactive aerosol. The specific tasks addressed were to determine the formation rates of {center_dot}OH radicals formed by the radiolysis of air following radon decay, to examine the formation of particles by the radiolytic oxidation of substances like SO{sub 2}, ethylene, and H{sub 2}S to lower vapor pressure compounds and determine the role of gas phase additives such as H{sub 2}O and NH{sub 3} in determining the particle size, to measure the rate of ion-induced nucleation using a thermal diffusion cloud chamber, and to measure the neutralization rate of {sup 218}PoO{sub x}{sup +} in O{sub 2} at low radon concentrations. Initial measurements were conducted of the activity size distributions in actual homes with occupants present so that the variability of the indoor activity size distributions can be assessed with respect to indoor aerosol sources and general lifestyle variations of the occupants. A prospective study of the utility of measurement of deposited {sup 210}Pb embedded in glass surfaces as a measure of the long-term, integrated exposure of the population to radon are described. Methodology was developed to determine the hygroscopicity of the indoor aerosol so that the changes in deposition efficiency of the radioactive indoor aerosol with hygroscopic growth in the respiratory tract can be assessed.

  12. Measuring Armenia's progress on the Tobacco Control Scale: an evaluation of tobacco control in an economy in transition, 2005–2009

    Science.gov (United States)

    Movsisyan, Narine K; Connolly, Gregory N

    2014-01-01

    Objectives This study aimed to measure the 5-year progress in the implementation of WHO Framework Convention on Tobacco Control (FCTC) in Armenia by applying the Tobacco Control Scale, a rapid assessment tool developed to assess the strength of tobacco control policies in Europe. Setting Armenia, an economy in transition, has extreme smoking rates among men (62.5%) despite acceding to FCTC in 2004. However, little research has been carried out to evaluate Armenia's progress in tobacco control. Methods The Tobacco Control Scale total score was estimated for Armenia using the original methodology; however, a different source of data was used in estimating the subscores on tobacco price and tobacco control spending. Results Armenia's total score on Tobacco Control Scale has considerably improved from 2005 to 2009, mostly due to larger health warnings and advertising ban, and increased public spending on tobacco control. The scores for smoke-free public places, advertising ban, health warnings and treatment categories were below the European average in 2005 and 2007, while the price score was higher. Neither total tobacco control score nor any of its components showed a significant predictive value in a simple regression analysis using the total score and subscores as predictors for log-transformed per capita tobacco consumption. Conclusions Higher than the European average price score for Armenia cannot be explained by the concept of affordability alone and may reflect a measurement error due to peculiarities of transition economies. The applicability of the Tobacco Control Scale could be limited to countries with mature economies, but not to transition countries such as Armenia with different social, political and economic environment. The scale modification, such as an adjustment for the policy enforcement and the effectiveness of public tobacco control spending along with alternative measures of affordability would be warranted to enhance its applicability in low

  13. Measuring Armenia's progress on the Tobacco Control Scale: an evaluation of tobacco control in an economy in transition, 2005-2009.

    Science.gov (United States)

    Movsisyan, Narine K; Connolly, Gregory N

    2014-02-27

    This study aimed to measure the 5-year progress in the implementation of WHO Framework Convention on Tobacco Control (FCTC) in Armenia by applying the Tobacco Control Scale, a rapid assessment tool developed to assess the strength of tobacco control policies in Europe. Armenia, an economy in transition, has extreme smoking rates among men (62.5%) despite acceding to FCTC in 2004. However, little research has been carried out to evaluate Armenia's progress in tobacco control. The Tobacco Control Scale total score was estimated for Armenia using the original methodology; however, a different source of data was used in estimating the subscores on tobacco price and tobacco control spending. Armenia's total score on Tobacco Control Scale has considerably improved from 2005 to 2009, mostly due to larger health warnings and advertising ban, and increased public spending on tobacco control. The scores for smoke-free public places, advertising ban, health warnings and treatment categories were below the European average in 2005 and 2007, while the price score was higher. Neither total tobacco control score nor any of its components showed a significant predictive value in a simple regression analysis using the total score and subscores as predictors for log-transformed per capita tobacco consumption. Higher than the European average price score for Armenia cannot be explained by the concept of affordability alone and may reflect a measurement error due to peculiarities of transition economies. The applicability of the Tobacco Control Scale could be limited to countries with mature economies, but not to transition countries such as Armenia with different social, political and economic environment. The scale modification, such as an adjustment for the policy enforcement and the effectiveness of public tobacco control spending along with alternative measures of affordability would be warranted to enhance its applicability in low-income and middle-income countries.

  14. 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...

  15. 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.

  16. 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.

  17. Analytical chemistry

    Energy Technology Data Exchange (ETDEWEB)

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

    1989-02-15

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

  18. Analytical chemistry

    International Nuclear Information System (INIS)

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

    1989-02-01

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

  19. Green Chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Collison, Melanie

    2011-05-15

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

  20. Progress in computational toxicology.

    Science.gov (United States)

    Ekins, Sean

    2014-01-01

    Computational methods have been widely applied to toxicology across pharmaceutical, consumer product and environmental fields over the past decade. Progress in computational toxicology is now reviewed. A literature review was performed on computational models for hepatotoxicity (e.g. for drug-induced liver injury (DILI)), cardiotoxicity, renal toxicity and genotoxicity. In addition various publications have been highlighted that use machine learning methods. Several computational toxicology model datasets from past publications were used to compare Bayesian and Support Vector Machine (SVM) learning methods. The increasing amounts of data for defined toxicology endpoints have enabled machine learning models that have been increasingly used for predictions. It is shown that across many different models Bayesian and SVM perform similarly based on cross validation data. Considerable progress has been made in computational toxicology in a decade in both model development and availability of larger scale or 'big data' models. The future efforts in toxicology data generation will likely provide us with hundreds of thousands of compounds that are readily accessible for machine learning models. These models will cover relevant chemistry space for pharmaceutical, consumer product and environmental applications. Copyright © 2013 Elsevier Inc. All rights reserved.

  1. Experimental investigation of the chemistry of excited states of rare gases. Annual technical progress report, October 15, 1976--October 14, 1977

    International Nuclear Information System (INIS)

    Setser, D.W.

    1978-01-01

    Tunable dye laser fluorescence has been combined with the flowing afterglow technique as a method for studying reactive intermediates present in the flowing afterglow. The radiative lifetimes and two-body quenching rate constants (with Ar carrier gas) for the Ar*(3p 5 ,4p) and Ar*(3p 5 ,5p) excited states were reported in the preceding year. During this year, we have measured the Ar* product states from the two-body quenching. More than 50% of the quenching leads directly to intermultiplet transfer to Ar(4s) states, rather than to intramultiplet cascade down the Ar(4p) manifold. Using this technique we also have studied the Xe(5p 5 ,6p') and Xe(5p 5 ,7p) excited states and radiative lifetimes, two-body quenching and the product states from quenching have been ascertained. These data should be of value for modeling energy flow pathways of rare gases excited by high energy electrons. A method has been developed for studying the quenching of the XeF(B) and KrF(B) by a variety of reagent molecules. A preliminary account of this work was published (number 5 in the publication list). Much additional experimental work has been done and a definitive study of the electronic quenching of XeF(B) and KrF(B) is in progress. Efforts to interpret (and publish) our comprehensive studies of the reactive quenching of the Kr( 3 P 2 ) and Xe( 3 P 2 ) by fluorine and chlorine-containing molecules has continued (see numbers 4, 6 and 8 in the publication listing). Two more manuscripts are in final stages of preparation. Of particular importance has been the development of methods for simulating and interpreting the bound-free emission spectra from the very high vibrational levels of the xenon and krypton fluorides and chlorides. Experiments have been done to measure the branching ratios for (i) ArF* formation from reactive quenching of Ar( 3 P 2 ) with fluorine-containing reagents and (ii) KrBr* and Br* formation for Kr( 3 P 2 ) reacting with some bromine-containing molecules

  2. Walking speed, rather than Expanded Disability Status Scale, relates to long-term patient-reported impact in progressive MS

    NARCIS (Netherlands)

    Bosma, L.V.A.E.; Kragt, J.J.; Polman, C.H.; Uitdehaag, B.M.J.

    2013-01-01

    Objective: To study the relationships between 1-2 year changes in well-known physician-rated measurements (Expanded Disability Status Scale (EDSS), Timed 25-Foot Walk (T25FW), 9-Hole Peg Test (9HPT)) and the long-term (= 5 years) outcome in patient-reported outcome (PRO) measures (Multiple Sclerosis

  3. Ultrafast phenomena in molecular sciences femtosecond physics and chemistry

    CERN Document Server

    Bañares, Luis

    2014-01-01

    This book presents the latest developments in Femtosecond Chemistry and Physics for the study of ultrafast photo-induced molecular processes. Molecular systems, from the simplest H2 molecule to polymers or biological macromolecules, constitute central objects of interest for Physics, Chemistry and Biology, and despite the broad range of phenomena that they exhibit, they share some common behaviors. One of the most significant of those is that many of the processes involving chemical transformation (nuclear reorganization, bond breaking, bond making) take place in an extraordinarily short time, in or around the femtosecond temporal scale (1 fs = 10-15 s). A number of experimental approaches - very particularly the developments in the generation and manipulation of ultrashort laser pulses - coupled with theoretical progress, provide the ultrafast scientist with powerful tools to understand matter and its interaction with light, at this spatial and temporal scale. This book is an attempt to reunite some of the ...

  4. The slow birth of green chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Amato, I.

    1993-03-12

    Mainstream chemistry is beginning to look at environmental chemistry as an important solution to environmental problems. This can include research into developing cleaner-burning liquid fuels, cleaning up oil spills, or developing better process methods which engender less pollution, as opposed to previous practices of detecting pollutants without preventing their release to begin with. This article discusses the progress of this chemistry discipline, describes some of the ongoing research, and describes the future for environmental chemistry. An impetus for future growth will be generational change, as young scientists in training are beginning to push faculities into creating programs for environmental chemistry.

  5. The Impact of the Progressive Efficiency Test on a Rowing Ergometer on White Blood Cells Distribution and Clinical Chemistry Changes in Paralympic Rowers During the Preparatory Stage Before the Paralympic Games in Rio, 2016 – A Case Report

    Directory of Open Access Journals (Sweden)

    Nowak Robert

    2017-12-01

    Full Text Available There is a large gap in knowledge regarding research on post-exercise blood changes in disabled athletes. There are relatively few data on adaptive mechanisms to exercise in disabled athletes, including disabled rowers. Two rowers from a Polish adaptive rowing settle TAMix2x that qualified for the Paralympic Games in Rio, 2016 took part in this study. They performed a progressive test on a rowing ergometer until exhaustion. The cardiorespiratory fitness measures, complete blood count, white blood cells’ distribution and 30 clinical chemistry variables describing laboratory diagnostic profiles and general health were determined. The extreme effort induced changes in all studied metabolites (glucose, creatinine, urea, uric acid, total and direct bilirubin, albumin, total protein levels in both participants. Furthermore, a post-exercise increase in aspartate transaminase activity, yet a 2-fold decrease during the recovery time in both rowers were found. White blood cell count increased 2-fold after the test. The percentages of natural killer cells were higher and total T lymphocytes were lower after the exercise protocol. There were higher percentages of suppressor/cytotoxic and lower percentages of helper/inducer T lymphocyte subsets in both studied rowers. No changes in B lymphocytes distribution were observed. Lack of inflammatory symptoms during the experiment suggests a high level of rowers’ biological adaptation to the physical effort. The different changes in physiological, biochemical and immunological variables are related to the adaptive mechanism to physical exercise allowing for improvement of performance.

  6. The Impact of the Progressive Efficiency Test on a Rowing Ergometer on White Blood Cells Distribution and Clinical Chemistry Changes in Paralympic Rowers During the Preparatory Stage Before the Paralympic Games in Rio, 2016 - A Case Report.

    Science.gov (United States)

    Nowak, Robert; Buryta, Rafał; Krupecki, Krzysztof; Zając, Tomasz; Zawartka, Marek; Proia, Patrizia; Kostrzewa-Nowak, Dorota

    2017-12-01

    There is a large gap in knowledge regarding research on post-exercise blood changes in disabled athletes. There are relatively few data on adaptive mechanisms to exercise in disabled athletes, including disabled rowers. Two rowers from a Polish adaptive rowing settle TAMix2x that qualified for the Paralympic Games in Rio, 2016 took part in this study. They performed a progressive test on a rowing ergometer until exhaustion. The cardiorespiratory fitness measures, complete blood count, white blood cells' distribution and 30 clinical chemistry variables describing laboratory diagnostic profiles and general health were determined. The extreme effort induced changes in all studied metabolites (glucose, creatinine, urea, uric acid, total and direct bilirubin), albumin, total protein levels in both participants. Furthermore, a post-exercise increase in aspartate transaminase activity, yet a 2-fold decrease during the recovery time in both rowers were found. White blood cell count increased 2-fold after the test. The percentages of natural killer cells were higher and total T lymphocytes were lower after the exercise protocol. There were higher percentages of suppressor/cytotoxic and lower percentages of helper/inducer T lymphocyte subsets in both studied rowers. No changes in B lymphocytes distribution were observed. Lack of inflammatory symptoms during the experiment suggests a high level of rowers' biological adaptation to the physical effort. The different changes in physiological, biochemical and immunological variables are related to the adaptive mechanism to physical exercise allowing for improvement of performance.

  7. The Impact of the Progressive Efficiency Test on a Rowing Ergometer on White Blood Cells Distribution and Clinical Chemistry Changes in Paralympic Rowers During the Preparatory Stage Before the Paralympic Games in Rio, 2016 – A Case Report

    Science.gov (United States)

    Nowak, Robert; Buryta, Rafał; Krupecki, Krzysztof; Zając, Tomasz; Zawartka, Marek; Proia, Patrizia

    2017-01-01

    Abstract There is a large gap in knowledge regarding research on post-exercise blood changes in disabled athletes. There are relatively few data on adaptive mechanisms to exercise in disabled athletes, including disabled rowers. Two rowers from a Polish adaptive rowing settle TAMix2x that qualified for the Paralympic Games in Rio, 2016 took part in this study. They performed a progressive test on a rowing ergometer until exhaustion. The cardiorespiratory fitness measures, complete blood count, white blood cells’ distribution and 30 clinical chemistry variables describing laboratory diagnostic profiles and general health were determined. The extreme effort induced changes in all studied metabolites (glucose, creatinine, urea, uric acid, total and direct bilirubin), albumin, total protein levels in both participants. Furthermore, a post-exercise increase in aspartate transaminase activity, yet a 2-fold decrease during the recovery time in both rowers were found. White blood cell count increased 2-fold after the test. The percentages of natural killer cells were higher and total T lymphocytes were lower after the exercise protocol. There were higher percentages of suppressor/cytotoxic and lower percentages of helper/inducer T lymphocyte subsets in both studied rowers. No changes in B lymphocytes distribution were observed. Lack of inflammatory symptoms during the experiment suggests a high level of rowers’ biological adaptation to the physical effort. The different changes in physiological, biochemical and immunological variables are related to the adaptive mechanism to physical exercise allowing for improvement of performance. PMID:29340006

  8. Condensate and feedwater systems, pumps, and water chemistry. Volume seven

    International Nuclear Information System (INIS)

    Anon.

    1986-01-01

    Subject matter includes condensate and feedwater systems (general features of condensate and feedwater systems, condenser hotwell level control, condensate flow, feedwater flow), pumps (principles of fluid flow, types of pumps, centrifugal pumps, positive displacement pumps, jet pumps, pump operating characteristics) and water chemistry (water chemistry fundamentals, corrosion, scaling, radiochemistry, water chemistry control processes, water pretreatment, PWR water chemistry, BWR water chemistry, condenser circulating water chemistry

  9. Progress in generating fracture data base as a function of loading rate and temperature using small-scale tests

    International Nuclear Information System (INIS)

    Couque, H.; Hudak, S.J. Jr.

    1993-01-01

    Structural integrity assessment of nuclear pressure vessels requires small specimen fracture testing to generate data over a wide range of material loading, and temperature conditions. Small scale testing is employed since extensive testing is required including small radiation embrittled samples from nuclear surveillance capsules. However, current small scale technology does not provide the needed dynamic fracture toughness relevant to the crack arrest/reinitiation events that may occur during pressurized thermal shock transients following emergency shutdown. This paper addresses the generation of this much needed dynamic toughness data using a novel experimental-computational approach involving a coupled pressure bars (CPB) technique and a viscoplastic dynamic fracture code. CPB data have been generated to testing temperatures never before reached: 37 to 100 degrees C -- 60 to 123 degrees C above the nil ductility transition temperature. Fracture behavior of pressure vessel steel from lower shelf to upper shelf temperatures and previous toughness estimates for the 10 6 MPa√m s -1 loading rate regime are assessed in light of the new CPB data. 26 refs., 14 figs., 3 tabs

  10. General chemistry

    International Nuclear Information System (INIS)

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

    1993-07-01

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

  11. Radiation chemistry

    International Nuclear Information System (INIS)

    Swallow, A.J.

    1983-01-01

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

  12. Indoor Chemistry

    DEFF Research Database (Denmark)

    Weschler, Charles J.; Carslaw, Nicola

    2018-01-01

    This review aims to encapsulate the importance, ubiquity, and complexity of indoor chemistry. We discuss the many sources of indoor air pollutants and summarize their chemical reactions in the air and on surfaces. We also summarize some of the known impacts of human occupants, who act as sources...... and sinks of indoor chemicals, and whose activities (e.g., cooking, cleaning, smoking) can lead to extremely high pollutant concentrations. As we begin to use increasingly sensitive and selective instrumentation indoors, we are learning more about chemistry in this relatively understudied environment....

  13. Chemistry in protoplanetary disks

    Science.gov (United States)

    Semenov, D. A.

    2012-01-01

    In this lecture I discuss recent progress in the understanding of the chemical evolution of protoplanetary disks that resemble our Solar system during the first ten million years. At the verge of planet formation, strong variations of temperature, density, and radiation intensities in these disks lead to a layered chemical structure. In hot, dilute and heavily irradiated atmosphere only simple radicals, atoms, and atomic ions can survive, formed and destroyed by gas-phase processes. Beneath the atmosphere a partly UV-shielded, warm molecular layer is located, where high-energy radiation drives rich chemistry, both in the gas phase and on dust surfaces. In a cold, dense, dark disk midplane many molecules are frozen out, forming thick icy mantles where surface chemistry is active and where complex (organic) species are synthesized.

  14. 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...

  15. Reinventing Chemistry

    OpenAIRE

    Whitesides, George McClelland

    2015-01-01

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

  16. Chemistry Notes

    Science.gov (United States)

    School Science Review, 1972

    1972-01-01

    Short articles on the kinetics of the hydrogen peroxide-iodide ion reaction, simulation of fluidization catalysis, the use of Newman projection diagrams to represent steric relationships in organic chemistry, the use of synthetic substrates for proteolytic enzyme reactions, and two simple clock reactions"--hydrolysis of halogenoalkanes and…

  17. Spin-chemistry concepts for spintronics scientists

    Directory of Open Access Journals (Sweden)

    Konstantin L. Ivanov

    2017-07-01

    Full Text Available Spin chemistry and spintronics developed independently and with different terminology. Until now, the interaction between the two fields has been very limited. In this review, we compile the two “languages” in an effort to enhance communication. We expect that knowledge of spin chemistry will accelerate progress in spintronics.

  18. Quantum-chemistry based calibration of the alkali metal cation series (Li(+)-Cs(+)) for large-scale polarizable molecular mechanics/dynamics simulations.

    Science.gov (United States)

    Dudev, Todor; Devereux, Mike; Meuwly, Markus; Lim, Carmay; Piquemal, Jean-Philip; Gresh, Nohad

    2015-02-15

    The alkali metal cations in the series Li(+)-Cs(+) act as major partners in a diversity of biological processes and in bioinorganic chemistry. In this article, we present the results of their calibration in the context of the SIBFA polarizable molecular mechanics/dynamics procedure. It relies on quantum-chemistry (QC) energy-decomposition analyses of their monoligated complexes with representative O-, N-, S-, and Se- ligands, performed with the aug-cc-pVTZ(-f) basis set at the Hartree-Fock level. Close agreement with QC is obtained for each individual contribution, even though the calibration involves only a limited set of cation-specific parameters. This agreement is preserved in tests on polyligated complexes with four and six O- ligands, water and formamide, indicating the transferability of the procedure. Preliminary extensions to density functional theory calculations are reported. © 2014 Wiley Periodicals, Inc.

  19. Large-scale identification of clinical and genetic predictors of motor progression in patients with newly diagnosed Parkinson's disease: a longitudinal cohort study and validation.

    Science.gov (United States)

    Latourelle, Jeanne C; Beste, Michael T; Hadzi, Tiffany C; Miller, Robert E; Oppenheim, Jacob N; Valko, Matthew P; Wuest, Diane M; Church, Bruce W; Khalil, Iya G; Hayete, Boris; Venuto, Charles S

    2017-11-01

    Better understanding and prediction of progression of Parkinson's disease could improve disease management and clinical trial design. We aimed to use longitudinal clinical, molecular, and genetic data to develop predictive models, compare potential biomarkers, and identify novel predictors for motor progression in Parkinson's disease. We also sought to assess the use of these models in the design of treatment trials in Parkinson's disease. A Bayesian multivariate predictive inference platform was applied to data from the Parkinson's Progression Markers Initiative (PPMI) study (NCT01141023). We used genetic data and baseline molecular and clinical variables from patients with Parkinson's disease and healthy controls to construct an ensemble of models to predict the annual rate of change in combined scores from the Movement Disorder Society-Unified Parkinson's Disease Rating Scale (MDS-UPDRS) parts II and III. We tested our overall explanatory power, as assessed by the coefficient of determination (R 2 ), and replicated novel findings in an independent clinical cohort from the Longitudinal and Biomarker Study in Parkinson's disease (LABS-PD; NCT00605163). The potential utility of these models for clinical trial design was quantified by comparing simulated randomised placebo-controlled trials within the out-of-sample LABS-PD cohort. 117 healthy controls and 312 patients with Parkinson's disease from the PPMI study were available for analysis, and 317 patients with Parkinson's disease from LABS-PD were available for validation. Our model ensemble showed strong performance within the PPMI cohort (five-fold cross-validated R 2 41%, 95% CI 35-47) and significant-albeit reduced-performance in the LABS-PD cohort (R 2 9%, 95% CI 4-16). Individual predictive features identified from PPMI data were confirmed in the LABS-PD cohort. These included significant replication of higher baseline MDS-UPDRS motor score, male sex, and increased age, as well as a novel Parkinson's disease

  20. Progress report, Chemistry and Materials Division

    International Nuclear Information System (INIS)

    1981-05-01

    Laser radiation has been used to anneal damage created by implantation of arsenic ions into silicon single-crystal wafers. The threshold for recovery of lattice order, as measured by ion channeling methods, appeared at an energy density of 1.2 J.cm -2 . Deuterium-enriched water has been recovered for the first time in visible amounts from a process based on laser photolysis. High performance liquid chromatography has been applied to the determination of U(VI) in ground water and urine. Results with low ground water concentrations were judged to be successful, while only limited success was achieved with urine. The first analyses in support of the production of (Th,Pu)O 2 fuel elements were completed successfully. Experiments performed during the quarter have shown that cracking of Zr-2.5 percent Nb alloy by gaseous hydrogen is inhibited by traces of oxygen. It was found that there was no inhibition by helium in the absence of trace oxygen. Excellent agreement has been obtained between the growth and creep constants derived from ion-irradiated cantilever beam specimens and those from reactor irradiation of the same materials. (O.T.)

  1. Progress report, Chemistry and Materials Division

    International Nuclear Information System (INIS)

    1980-11-01

    New results have been obtained by time-of-flight studies for the stopping powers for heavy ions (Ne,Ar) transmitted at O 0 through tin, copper and gold foils. It has been shown that complexes formed between vacancies and solute ions can be dissolved by MeV He + ion irradiation at 70 K. An improved optical absorption spectrum of hypoiodite ion has been obtained. Studies of the radiolysis of gadolinium solutions covered with a vapour space are continuing. Research on hydrogen isotope separation by laser photochemistry and catalytic chemical exchange is going forward. A method for the determination of trace quantities of hexavalent uranium in groundwater and urine has been found. Preliminary experiments have been carried out on zone refining and electrotransport purification of zirconium. Irradiation creep and growth are bieng examined, and an experimental study of recovery in Zircaloy-2 from mechanical deformation has been completed. (LL)

  2. Progress report 1978

    International Nuclear Information System (INIS)

    1979-01-01

    The Studsvik Science Research Laboratory herewith presents its progress report for 1978. The report summarizes the current projects carried out by the research groups working at the laboratory. Projects within the following fields are presented: neutron physics, neutron absorption and scattering, radiation chemistry, radiation damage studies, radioactivity and theoretical studies of condensed matter. (E.R.)

  3. Catalysis and sustainable (green) chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Centi, Gabriele; Perathoner, Siglinda [Dipartimento di Chimica Industriale ed Ingegneria dei Materiali, University of Messina, Salita Sperone 31, 98166 Messina (Italy)

    2003-01-15

    Catalysis is a key technology to achieve the objectives of sustainable (green) chemistry. After introducing the concepts of sustainable (green) chemistry and a brief assessment of new sustainable chemical technologies, the relationship between catalysis and sustainable (green) chemistry is discussed and illustrated via an analysis of some selected and relevant examples. Emphasis is also given to the concept of catalytic technologies for scaling-down chemical processes, in order to develop sustainable production processes which reduce the impact on the environment to an acceptable level that allows self-depuration processes of the living environment.

  4. Bench-scale testing of on-line control of column flotation using a novel analyzer. Third quarterly technical progress report, April 1, 1993--June 30, 1993

    Energy Technology Data Exchange (ETDEWEB)

    1993-08-24

    This document contains the third quarterly technical progress report for PTI`s Bench-Scale Testing Project of a circuit integrating PTI`s KEN-FLOTETM Column Flotation Technology and PTI`s On-Line Quality Monitor and Control System. The twelve-month project involves installation and testing of a 200--300 lb/hr. bench-scale flotation circuit at PETC`s Coal Preparation Process Research Facility (CPPRF) for two bituminous coals (Upper Freeport and Pittsburgh No. 8 Seam Raw Coals). Figure 1 contains the project plan, as well as the approach to completing the major tasks within the twelve-month project schedule. The project is broken down into three phases, which include: Phase I -- Preparation: The preparation phase was performed principally at PTI`s Calumet offices from October through December, 1992. It involved building of the equipment and circuitry, as well as some preliminary design and equipment testing; Phase II -- ET Circuit Installation and Testing: This installation and testing phase of the project was performed at PETC`s CPPRF from January through June, 1993, and was the major focus of the project. It involved testing of the continuous 200--300 lb/hr. circuit; and Phase III -- Project Finalization: The project finalization phase is occurring from July through September, 1993, at PTI`s Calumet offices and involves finalizing analytical work and data evaluation, as well as final project reporting. This Third Quarterly Technical Progress Report principally summarizes the results from the benchscale testing with the second coal (Pittsburgh No. 8 Seam Coal), which occurred in April through June, 1993. It also contains preliminary economic evaluations that will go into the Final Report, as well as the plan for the final reporting task.

  5. 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

  6. Progress in national-scale landslide susceptibility mapping in Romania using a combined statistical-heuristical approach

    Science.gov (United States)

    Bălteanu, Dan; Micu, Mihai; Malet, Jean-Philippe; Jurchescu, Marta; Sima, Mihaela; Kucsicsa, Gheorghe; Dumitrică, Cristina; Petrea, Dănuţ; Mărgărint, Ciprian; Bilaşco, Ştefan; Văcăreanu, Radu; Georgescu, Sever; Senzaconi, Francisc

    2017-04-01

    Landslide processes represent a very widespread geohazard in Romania, affecting mainly the hilly and plateau regions as well as the mountain sectors developed on flysch formations. Two main projects provided the framework for improving the existing national landslide susceptibility map (Bălteanu et al. 2010): the ELSUS (Pan-European and nation-wide landslide susceptibility assessment, EC-CERG) and the RO-RISK (Disaster Risk Evaluation at National Level, ESF-POCA) projects. The latter one, a flagship project aiming at strengthening risk prevention and management in Romania, focused on a national-level evaluation of the main risks in the country including landslides. The strategy for modeling landslide susceptibility was designed based on the experience gained from continental and national level assessments conducted in the frame of the International Programme on Landslides (IPL) project IPL-162, the European Landslides Expert Group - JRC and the ELSUS project. The newly proposed landslide susceptibility model used as input a reduced set of landslide conditioning factor maps available at scales of 1:100,000 - 1:200,000 and consisting of lithology, slope angle and land cover. The input data was further differentiated for specific natural environments, defined here as morpho-structural units in order to incorporate differences induced by elevation (vertical climatic zonation), morpho-structure as well as neotectonic features. In order to best discern the specific landslide conditioning elements, the analysis has been carried out for one single process category, namely slides. The existence of a landslide inventory covering the whole country's territory ( 30,000 records, Micu et al. 2014), although affected by incompleteness and lack of homogeneity, allowed for the application of a semi-quantitative, mixed statistical-heuristical approach having the advantage of combining the objectivity of statistics with expert-knowledge in calibrating class and factor weights. The

  7. Radioanalytical chemistry

    International Nuclear Information System (INIS)

    1982-01-01

    The bibliography of Hungarian literature in the field of radioanalytical chemistry covers the four-year period 1976-1979. The list of papers contains 290 references in the alphabetical order of the first authors. The majority of the titles belongs to neutron activation analysis, labelling, separation and determination of radioactive isotopes. Other important fields like radioimmunoassay, environmental protection etc. are covered as well. (Sz.J.)

  8. Analytical chemistry

    International Nuclear Information System (INIS)

    Anon.

    1985-01-01

    The division for Analytical Chemistry continued to try and develope an accurate method for the separation of trace amounts from mixtures which, contain various other elements. Ion exchange chromatography is of special importance in this regard. New separation techniques were tried on certain trace amounts in South African standard rock materials and special ceramics. Methods were also tested for the separation of carrier-free radioisotopes from irradiated cyclotron discs

  9. 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.

  10. Computational chemistry

    Science.gov (United States)

    Arnold, J. O.

    1987-01-01

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

  11. Green chemistry

    International Nuclear Information System (INIS)

    Warner, John C.; Cannon, Amy S.; Dye, Kevin M.

    2004-01-01

    A grand challenge facing government, industry, and academia in the relationship of our technological society to the environment is reinventing the use of materials. To address this challenge, collaboration from an interdisciplinary group of stakeholders will be necessary. Traditionally, the approach to risk management of materials and chemicals has been through inerventions intended to reduce exposure to materials that are hazardous to health and the environment. In 1990, the Pollution Prevention Act encouraged a new tact-elimination of hazards at the source. An emerging approach to this grand challenge seeks to embed the diverse set of environmental perspectives and interests in the everyday practice of the people most responsible for using and creating new materials--chemists. The approach, which has come to be known as Green Chemistry, intends to eliminate intrinsic hazard itself, rather than focusing on reducing risk by minimizing exposure. This chapter addresses the representation of downstream environmental stakeholder interests in the upstream everyday practice that is reinventing chemistry and its material inputs, products, and waste as described in the '12 Principles of Green Chemistry'

  12. Uranium chemistry: significant advances

    International Nuclear Information System (INIS)

    Mazzanti, M.

    2011-01-01

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

  13. Microscale Experiments in Chemistry - The Need of the New ...

    Indian Academy of Sciences (India)

    Chemistry at University of Pune. ... future, chemists would use the 'Liliput' scale for performing laboratory ... students of M.Sc. organic chemistry in this department for the first time. Without .... condenser and heated with a free flame. Fuming ...

  14. 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

  15. A refuge for inorganic chemistry: Bunsen's Heidelberg laboratory.

    Science.gov (United States)

    Nawa, Christine

    2014-05-01

    Immediately after its opening in 1855, Bunsen's Heidelberg laboratory became iconic as the most modern and best equipped laboratory in Europe. Although comparatively modest in size, the laboratory's progressive equipment made it a role model for new construction projects in Germany and beyond. In retrospect, it represents an intermediate stage of development between early teaching facilities, such as Liebig's laboratory in Giessen, and the new 'chemistry palaces' that came into existence with Wöhler's Göttingen laboratory of 1860. As a 'transition laboratory,' Bunsen's Heidelberg edifice is of particular historical interest. This paper explores the allocation of spaces to specific procedures and audiences within the laboratory, and the hierarchies and professional rites of passage embedded within it. On this basis, it argues that the laboratory in Heidelberg was tailored to Bunsen's needs in inorganic and physical chemistry and never aimed at a broad-scale representation of chemistry as a whole. On the contrary, it is an example of early specialisation within a chemical laboratory preceding the process of differentiation into chemical sub-disciplines. Finally, it is shown that the relatively small size of this laboratory, and the fact that after ca. 1860 no significant changes were made within the building, are inseparably connected to Bunsen's views on chemistry teaching.

  16. Interstellar chemistry.

    Science.gov (United States)

    Klemperer, William

    2006-08-15

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

  17. Physical chemistry and the environment

    International Nuclear Information System (INIS)

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

    1994-08-01

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

  18. 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)

  19. Radiation chemistry and bioradical chemistry

    International Nuclear Information System (INIS)

    Ferradini, C.

    1991-01-01

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

  20. 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

  1. Cyclodextrin chemistry

    International Nuclear Information System (INIS)

    Khan, M.Z.; Chuaqui, C.A.

    1990-05-01

    The chemistry of cyclodextrins was studied. This study included synthesising some cyclodextrin derivatives, preparing selected inclusion complexes with cyclodextrin and investigating the effects of gamma irradiation on cyclodextrins and certain linear oligosaccharides. This report presents a brief review of the structure and properties of cyclodextrins, the synthesis of cyclodextrin derivatives, their complexation and applications. This is followed by a description of the synthesis of some cyclodextrin derivatives and the preparation of inclusion complexes of cyclodextrin with some organic compounds. Finally, the effects of gamma irradiation on cyclodextrins, some of their derivatives and certain structurally related carbohydrates are discussed. The gamma irradiation studies were carried out for two reasons: to study the effects of gamma irradiation on cyclodextrins and their derivatives; and to investigate selectivity during the gamma irradiation of cyclodextrin derivatives

  2. Astronomical chemistry.

    Science.gov (United States)

    Klemperer, William

    2011-01-01

    The discovery of polar polyatomic molecules in higher-density regions of the interstellar medium by means of their rotational emission detected by radioastronomy has changed our conception of the universe from essentially atomic to highly molecular. We discuss models for molecule formation, emphasizing the general lack of thermodynamic equilibrium. Detailed chemical kinetics is needed to understand molecule formation as well as destruction. Ion molecule reactions appear to be an important class for the generally low temperatures of the interstellar medium. The need for the intrinsically high-quality factor of rotational transitions to definitively pin down molecular emitters has been well established by radioastronomy. The observation of abundant molecular ions both positive and, as recently observed, negative provides benchmarks for chemical kinetic schemes. Of considerable importance in guiding our understanding of astronomical chemistry is the fact that the larger molecules (with more than five atoms) are all organic.

  3. Combustion chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Brown, N.J. [Lawrence Berkeley Laboratory, CA (United States)

    1993-12-01

    This research is concerned with the development and use of sensitivity analysis tools to probe the response of dependent variables to model input variables. Sensitivity analysis is important at all levels of combustion modeling. This group`s research continues to be focused on elucidating the interrelationship between features in the underlying potential energy surface (obtained from ab initio quantum chemistry calculations) and their responses in the quantum dynamics, e.g., reactive transition probabilities, cross sections, and thermal rate coefficients. The goals of this research are: (i) to provide feedback information to quantum chemists in their potential surface refinement efforts, and (ii) to gain a better understanding of how various regions in the potential influence the dynamics. These investigations are carried out with the methodology of quantum functional sensitivity analysis (QFSA).

  4. Environmental chemistry of the actinide elements

    International Nuclear Information System (INIS)

    Rao Linfeng

    1986-01-01

    The environmental chemistry of the actinide elements is a new branch of science developing with the application of nuclear energy on a larger and larger scale. Various aspects of the environmental chemistry of the actinide elements are briefly reviewed in this paper, such as its significance in the nuclear waste disposal, its coverage of research fields and possible directions for future study

  5. Dragonfly Mercury Project—A citizen science driven approach to linking surface-water chemistry and landscape characteristics to biosentinels on a national scale

    Science.gov (United States)

    Eagles-Smith, Collin A.; Nelson, Sarah J.; Willacker,, James J.; Flanagan Pritz, Colleen M.; Krabbenhoft, David P.

    2016-02-29

    Mercury is a globally distributed pollutant that threatens human and ecosystem health. Even protected areas, such as national parks, are subjected to mercury contamination because it is delivered through atmospheric deposition, often after long-range transport. In aquatic ecosystems, certain environmental conditions can promote microbial processes that convert inorganic mercury to an organic form (methylmercury). Methylmercury biomagnifies through food webs and is a potent neurotoxicant and endocrine disruptor. The U.S. Geological Survey (USGS), the University of Maine, and the National Park Service (NPS) Air Resources Division are working in partnership at more than 50 national parks across the United States, and with citizen scientists as key participants in data collection, to develop dragonfly nymphs as biosentinels for mercury in aquatic food webs. To validate the use of these biosentinels, and gain a better understanding of the connection between biotic and abiotic pools of mercury, this project also includes collection of landscape data and surface-water chemistry including mercury, methylmercury, pH, sulfate, and dissolved organic carbon and sediment mercury concentration. Because of the wide geographic scope of the research, the project also provides a nationwide “snapshot” of mercury in primarily undeveloped watersheds.

  6. Micrometer-scale 3-D shape characterization of eight cements: Particle shape and cement chemistry, and the effect of particle shape on laser diffraction particle size measurement

    International Nuclear Information System (INIS)

    Erdogan, S.T.; Nie, X.; Stutzman, P.E.; Garboczi, E.J.

    2010-01-01

    Eight different portland cements were imaged on a synchrotron beam line at Brookhaven National Laboratory using X-ray microcomputed tomography at a voxel size of about 1 μm per cubic voxel edge. The particles ranged in size roughly between 10 μm and 100 μm. The shape and size of individual particles were computationally analyzed using spherical harmonic analysis. The particle shape difference between cements was small but significant, as judged by several different quantitative shape measures, including the particle length, width, and thickness distributions. It was found that the average shape of cement particles was closely correlated with the volume fraction of C 3 S (alite) and C 2 S (belite) making up the cement powder. It is shown that the non-spherical particle shape of the cements strongly influence laser diffraction results, at least in the sieve size range of 20 μm to 38 μm. Since laser diffraction particle size measurement is being increasingly used by the cement industry, while cement chemistry is always a main factor in cement production, these results could have important implications for how this kind of particle size measurement should be understood and used in the cement industry.

  7. Separations chemistry

    International Nuclear Information System (INIS)

    Anon.

    1976-01-01

    Results of studies on the photochemistry of aqueous Pu solutions and the stability of iodine in liquid and gaseous CO 2 are reported. Progress is reported in studies on: the preparation of macroporous bodies filled with oxides and sulfides to be used as adsorbents; the beneficiation of photographic wastes; the anion exchange adsorption of transition elements from thiosulfate solutions; advanced filtration applications of energy significance; high-resolution separations; and, the examination of the separation agents, octylphenylphosphoric acid (OPPA) and trihexyl phosphate (THP)

  8. Why Teach Environmental Chemistry?

    Science.gov (United States)

    Gardner, Marjorie H.

    1974-01-01

    Discusses the importance of teaching environmental chemistry in secondary school science classes, and outlines five examples of environmental chemistry problems that focus on major concepts of chemistry and have critical implications for human survival and well-being. (JR)

  9. Actinide separative chemistry

    International Nuclear Information System (INIS)

    Boullis, B.

    2004-01-01

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

  10. 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.

  11. USSR Report Chemistry

    National Research Council Canada - National Science Library

    1986-01-01

    Contents: Adsorption, Chemistry,Alkaloids, Analytical Chemistry, Catalysis,Chemical Industry,,Coal Gasification, Combustion, Electrochemistry,Explosives and Explosions, Fertilizers, Free Radicals, Inorganic...

  12. Recent progress in microcalorimetry

    CERN Document Server

    Calvet, E; Skinner, H A

    2013-01-01

    Recent Progress in Microcalorimetry focuses on the methodologies, processes, and approaches involved in microcalorimetry, as well as heat flow, temperature constancy, and chemistry of alumina and cements.The selection first offers information on the different types of calorimeters; measurement of the heat flow between the calorimeter and jacket boundaries by means of a thermoelectric pile; and constructional details of the microcalorimeter. Discussions focus on classification of calorimeters, use of thermoelectric piles as thermometers, correct measurement of heat flow from a calorimeter conta

  13. Chemistry of Organophosphonate Scale Growth lnhibitors: 3. Physicochemical Aspects of 2-Phosphonobutane-1,2,4-Tricarboxylate (PBTC) And Its Effect on CaCO3 Crystal Growth

    OpenAIRE

    Demadis, Konstantinos D.; Lykoudis, Panos

    2005-01-01

    Industrial water systems often suffer from undesirable inorganic deposits, such as calcium carbonate, calcium phosphates, calcium sulfate, magnesium silicate, and others. Synthetic water additives, such as phosphonates and phosphonocarboxylates, are the most important and widely utilized scale inhibitors in a plethora of industrial applications including cooling water, geothermal drilling, desalination, etc. The design of efficient and cost-effective inhibitors, as well as the study ...

  14. Complex Protostellar Chemistry

    Science.gov (United States)

    Nuth, Joseph A., III; Johnson, Natasha M.

    2012-01-01

    Two decades ago, our understanding of the chemistry in protostars was simple-matter either fell into the central star or was trapped in planetary-scale objects. Some minor chemical changes might occur as the dust and gas fell inward, but such effects were overwhelmed by the much larger scale processes that occurred even in bodies as small as asteroids. The chemistry that did occur in the nebula was relatively easy to model because the fall from the cold molecular cloud into the growing star was a one-way trip down a well-known temperature-pressure gradient; the only free variable was time. However, just over 10 years ago it was suggested that some material could be processed in the inner nebula, flow outward, and become incorporated into comets (1, 2). This outward flow was confirmed when the Stardust mission returned crystalline mineral fragments (3) from Comet Wild 2 that must have been processed close to the Sun before they were incorporated into the comet. In this week's Science Express, Ciesla and Sandford (4) demonstrate that even the outermost regions of the solar nebula can be a chemically active environment. Their finding could have consequences for the rest of the nebula.

  15. Water chemistry

    International Nuclear Information System (INIS)

    Hofstetter, K.J.; Baston, V.F.

    1986-01-01

    Prior to the accident, the coolants in the primary and secondary systems were within normal chemistry specifications for an operating pressurized water reactor with once-through steam generators. During and immediately after the accident, additional boric acid and sodium hydroxide were added to the primary coolant for control of criticality and radioiodine solubility. A primary to secondary leak developed contaminating the water in one steam generator. For about 5 years after the accident, the primary coolant was maintained at 3800 +. 100 ppm boron and 1000 +. 100 ppm sodium concentrations. Dissolved oxygen was maintained 7.5, corrosion caused by increased dissolved oxygen levels (up to 8 ppm) and higher chloride ion content (up to 5 ppm) is minimized. Chemical control of dissolved oxygen was discontinued and the coolant was processed. Prior to removal of the reactor vessel head, the boron concentration in the coolant was increased to ≅ 5000 ppm to support future defueling operations. Decontamination of the accident generated water is described in terms of contaminated water management. In addition, the decontamination and chemical lay-up conditions for the secondary system are presented along with an overview of chemical management at TMI-2

  16. Migration chemistry

    International Nuclear Information System (INIS)

    Carlsen, L.

    1992-05-01

    Migration chemistry, the influence of chemical -, biochemical - and physico-chemical reactions on the migration behaviour of pollutants in the environment, is an interplay between the actual natur of the pollutant and the characteristics of the environment, such as pH, redox conditions and organic matter content. The wide selection of possible pollutants in combination with varying geological media, as well as the operation of different chemical -, biochemical - and physico-chemical reactions compleactes the prediction of the influence of these processes on the mobility of pollutants. The report summarizes a wide range of potential pollutants in the terrestrial environment as well as a variety of chemical -, biochemical - and physico-chemical reactions, which can be expected to influence the migration behaviour, comprising diffusion, dispersion, convection, sorption/desorption, precipitation/dissolution, transformations/degradations, biochemical reactions and complex formation. The latter comprises the complexation of metal ions as well as non-polar organics to naturally occurring organic macromolecules. The influence of the single types of processes on the migration process is elucidated based on theoretical studies. The influence of chemical -, biochemical - and physico-chemical reactions on the migration behaviour is unambiguous, as the processes apparently control the transport of pollutants in the terrestrial environment. As the simple, conventional K D concept breaks down, it is suggested that the migration process should be described in terms of the alternative concepts chemical dispersion, average-elution-time and effective retention. (AB) (134 refs.)

  17. Electron collision cross sections and radiation chemistry

    International Nuclear Information System (INIS)

    Hatano, Y.

    1983-01-01

    A survey is given of the cross section data needs in radiation chemistry, and of the recent progress in electron impact studies on dissociative excitation of molecules. In the former some of the important target species, processes, and collision energies are presented, while in the latter it is demonstrated that radiation chemistry is a source of new ideas and information in atomic collision research. 37 references, 4 figures

  18. Direct observations of reactive atmospheric gases at ZOTTO station in the middle of Siberia as a base for large-scale modeling of atmospheric chemistry over Northern Eurasia

    Science.gov (United States)

    Skorokhod, Andrey; Belikov, Igor; Shtabkin, Yury; Moiseenko, Konstantin; Pankratova, Natalia; Vasileva, Anastasia; Rakitin, Vadim; Heimann, Martin

    2015-04-01

    Direct observations of atmospheric air composition are very important for a comprehensive understanding of atmospheric chemistry over Northern Eurasia and its variability and trends driven by abrupt climatic and ecosystem changes and anthropogenic pressure. Atmospheric air composition (including greenhouse gases and aerosols), its trends and variability is still insufficiently known for most of the nearly uninhabited areas of Northern Eurasia. This limits the accuracy of both global and regional models, which simulate climatological and ecosystem changes in this highly important region. From that point of view, the Zotino Tall Tower Observatory (ZOTTO) in the middle of Siberia (near 60N, 90E), launched in 2006 and governed by a scientific international consortium plays an important role providing unique information about concentrations of greenhouse and reactive trace gases, as well as aerosols. Simulations of surface concentrations of O3, NOx and CO performed by global chemical-transport model GEOS-Chem using up-to-date anthropogenic and biogenic emissions databases show very good agreement with values observed at ZOTTO in 2007-2012. Observed concentration of ozone has a pronounced seasonal variation with a clear peak in spring (40-45 ppbv in average and up to 80 ppbv in extreme cases) and minimum in winter. Average ozone level is about 20 ppbv that corresponds to the background conditions. Enhanced concentration in March-July is due to increased stratospheric-tropospheric exchange. In autumn and winter distribution of ozone is close to uniform. NOx concentration does not exceed 1 ppb that is typical for background areas but may vary by order and some more in few hours. Higher surface NOx(=NO+NO2) concentrations during day time generally correspond to higher ozone when NO/NO2 ratio indicates on clean or slightly polluted conditions. CO surface concentration has a vivid seasonal course and varies from about 100 ppb in summer till 150 ppb in winter. But during

  19. Electron tunneling in chemistry

    International Nuclear Information System (INIS)

    Zamaraev, K.I.; Khajrutdinov, R.F.; Zhdanov, V.P.; Molin, Yu.N.

    1985-01-01

    Results of experimental and theoretical investigations are outlined systematically on electron tunnelling in chemical reactions. Mechanism of electron transport to great distances is shown to be characteristic to chemical compounds of a wide range. The function of tunnel reactions is discussed for various fields of chemistry, including radiation chemistry, electrochemistry, chemistry of solids, chemistry of surface and catalysis

  20. Zambian Pre-Service Chemistry Teachers' Views on Chemistry Education Goals and Challenges for Achieving Them in Schools

    Science.gov (United States)

    Banda, Asiana; Mumba, Frackson; Chabalengula, Vivien M.

    2014-01-01

    This study examined Zambian preservice chemistry teachers' views on the goals of chemistry education, the importance of the goals, and challenges for achieving them in schools. The study sample was comprised of 59 pre-service chemistry teachers at the University of Zambia. Data were collected using a modified Likert-scale questionnaire that was…

  1. 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.

  2. Influence of model assumptions about HIV disease progression after initiating or stopping treatment on estimates of infections and deaths averted by scaling up antiretroviral therapy

    Science.gov (United States)

    Sucharitakul, Kanes; Boily, Marie-Claude; Dimitrov, Dobromir

    2018-01-01

    Background Many mathematical models have investigated the population-level impact of expanding antiretroviral therapy (ART), using different assumptions about HIV disease progression on ART and among ART dropouts. We evaluated the influence of these assumptions on model projections of the number of infections and deaths prevented by expanded ART. Methods A new dynamic model of HIV transmission among men who have sex with men (MSM) was developed, which incorporated each of four alternative assumptions about disease progression used in previous models: (A) ART slows disease progression; (B) ART halts disease progression; (C) ART reverses disease progression by increasing CD4 count; (D) ART reverses disease progression, but disease progresses rapidly once treatment is stopped. The model was independently calibrated to HIV prevalence and ART coverage data from the United States under each progression assumption in turn. New HIV infections and HIV-related deaths averted over 10 years were compared for fixed ART coverage increases. Results Little absolute difference (ART coverage (varied between 33% and 90%) if ART dropouts reinitiated ART at the same rate as ART-naïve MSM. Larger differences in the predicted fraction of HIV-related deaths averted were observed (up to 15pp). However, if ART dropouts could only reinitiate ART at CD4ART interruption did not affect the fraction of HIV infections averted with expanded ART, unless ART dropouts only re-initiated ART at low CD4 counts. Different disease progression assumptions had a larger influence on the fraction of HIV-related deaths averted with expanded ART. PMID:29554136

  3. Context-specific, evidence-based planning for scale-up of family planning services to increase progress to MDG 5: health systems research.

    Science.gov (United States)

    Byrne, Abbey; Morgan, Alison; Soto, Eliana Jimenez; Dettrick, Zoe

    2012-11-12

    Unmet need for family planning is responsible for 7.4 million disability-adjusted life years and 30% of the maternity-related disease burden. An estimated 35% of births are unintended and some 200 million couples state a desire to delay pregnancy or cease fertility but are not using contraception. Unmet need is higher among the poorest, lesser educated, rural residents and women under 19 years. The barriers to, and successful strategies for, satisfying all demand for modern contraceptives are heavily influenced by context. Successfully overcoming this to increase the uptake of family planning is estimated to reduce the risk of maternal death by up to 58% as well as contribute to poverty reduction, women's empowerment and educational, social and economic participation, national development and environmental protection. To strengthen health systems for delivery of context-specific, equity-focused reproductive, maternal, newborn and child health services (RMNCH), the Investment Case study was applied in the Asia-Pacific region. Staff of local and central government and non-government organisations analysed data indicative of health service delivery through a supply-demand oriented framework to identify constraints to RMNCH scale-up. Planners developed contextualised strategies and the projected coverage increases were modelled for estimates of marginal impact on maternal mortality and costs over a five year period. In Indonesia, Philippines and Nepal the constraints behind incomplete coverage of family planning services included: weaknesses in commodities logistic management; geographical inaccessibility; limitations in health worker skills and numbers; legislation; and religious and cultural ideologies. Planned activities included: streamlining supply systems; establishment of Community Health Teams for integrated RMNCH services; local recruitment of staff and refresher training; task-shifting; and follow-up cards. Modelling showed varying marginal impact and costs

  4. Context-specific, evidence-based planning for scale-up of family planning services to increase progress to MDG 5: health systems research

    Directory of Open Access Journals (Sweden)

    Byrne Abbey

    2012-11-01

    Full Text Available Abstract Background Unmet need for family planning is responsible for 7.4 million disability-adjusted life years and 30% of the maternity-related disease burden. An estimated 35% of births are unintended and some 200 million couples state a desire to delay pregnancy or cease fertility but are not using contraception. Unmet need is higher among the poorest, lesser educated, rural residents and women under 19 years. The barriers to, and successful strategies for, satisfying all demand for modern contraceptives are heavily influenced by context. Successfully overcoming this to increase the uptake of family planning is estimated to reduce the risk of maternal death by up to 58% as well as contribute to poverty reduction, women’s empowerment and educational, social and economic participation, national development and environmental protection. Methods To strengthen health systems for delivery of context-specific, equity-focused reproductive, maternal, newborn and child health services (RMNCH, the Investment Case study was applied in the Asia-Pacific region. Staff of local and central government and non-government organisations analysed data indicative of health service delivery through a supply–demand oriented framework to identify constraints to RMNCH scale-up. Planners developed contextualised strategies and the projected coverage increases were modelled for estimates of marginal impact on maternal mortality and costs over a five year period. Results In Indonesia, Philippines and Nepal the constraints behind incomplete coverage of family planning services included: weaknesses in commodities logistic management; geographical inaccessibility; limitations in health worker skills and numbers; legislation; and religious and cultural ideologies. Planned activities included: streamlining supply systems; establishment of Community Health Teams for integrated RMNCH services; local recruitment of staff and refresher training; task-shifting; and follow

  5. Mars aqueous chemistry experiment

    Science.gov (United States)

    Clark, Benton C.; Mason, Larry W.

    1994-06-01

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

  6. Mars aqueous chemistry experiment

    Science.gov (United States)

    Clark, Benton C.; Mason, Larry W.

    1994-01-01

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

  7. In-situ exploration of Venus on a global scale : direct measurements of origins and evolution, meterology, dynamics, and chemistry by a long-duration aerial science station

    Science.gov (United States)

    Baines, Kevin H.; Atreya, Sushi; Carlson, Robert W.; Chutjian, Ara; Crisp, David; Hall, Jeffrey L.; Jones, Dayton L.; Kerzhanovich, Victor V.; Limaye, Sanjay S.

    2005-01-01

    Drifting in the strong winds of Venus under benign Earth-like temperature and pressure conditions, an instrumented balloon-borne science station presents a viable means to explore, in-situ, the Venusian atmosphere on a global scale. Flying over the ground at speeds exceeding 240 km/hour while floating in the Venusian skies near 55 km altitude for several weeks, such an aerostat can conduct a 'world tour' of our neighboring planet, as it circumnavigates the globe multiple times during its flight from equatorial to polar latitudes. Onboard science sensors can repeatedly and directly sample gas compositions, atmospheric pressures and temperatures and cloud particle properties, giving unprecedented insight into the chemical processes occurring within the sulfuric clouds. Additionally, interferometric tracking via Earth-based radio observatories can yield positions and windspeeds to better than 10 cm/sec over one-hour periods, providing important information for understanding the planet's meridional circulation and enigmatic zonal super-rotation, as well as local dynamics associated with meteorological processes. As well, hundreds of GCMS spectra collected during the flight can provide measurements of noble gas compositions and their isotopes with unprecedented accuracy, thereby enabling fundamental new insights into Venus's origin and evolution.

  8. An Investigation of the Relationships among 11th Grade Students' Attitudes toward Chemistry, Metacognition and Chemistry Achievement

    OpenAIRE

    KINGIR, Sevgi; AYDEMİR, Nurdane

    2012-01-01

    The purpose of this study was to investigate the relationships among 11th grade students' metacognition, chemistry achievement and attitudes toward chemistry. A total of 81 high school students at 11th grade participated in this study. Data were collected using Metacognitive Awareness Inventory and Attitude Scale toward Chemistry at the end of the second half of the academic year 2010â€"2011. Students' report card mean scores in chemistry course for that academic year were used as an ind...

  9. An Investigation of the Relationships among 11th Grade Students' Attitudes toward Chemistry, Metacognition and Chemistry Achievement

    OpenAIRE

    KINGIR, Sevgi; AYDEMİR, Nurdane

    2014-01-01

    The purpose of this study was to investigate the relationships among 11th grade students' metacognition, chemistry achievement and attitudes toward chemistry. A total of 81 high school students at 11th grade participated in this study. Data were collected using Metacognitive Awareness Inventory and Attitude Scale toward Chemistry at the end of the second half of the academic year 2010â€"2011. Students' report card mean scores in chemistry course for that academic year were ...

  10. 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...

  11. 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.)

  12. Effects of regional-scale and convective transports on tropospheric ozone chemistry revealed by aircraft observations during the wet season of the AMMA campaign

    Directory of Open Access Journals (Sweden)

    G. Ancellet

    2009-01-01

    Full Text Available The African Monsoon Multidisciplinary Analyses (AMMA fourth airborne campaign was conducted in July–August 2006 to study the chemical composition of the middle and upper troposphere in West Africa with the major objective to better understand the processing of chemical emissions by the West African Monsoon (WAM and its associated regional-scale and vertical transports. In particular, the french airborne experiment was organized around two goals. The first was to characterize the impact of Mesoscale Convective Systems (MCSs on the ozone budget in the upper troposphere and the evolution of the chemical composition of these convective plumes as they move westward toward the Atlantic Ocean. The second objective was to discriminate the impact of remote sources of pollution over West Africa, including transport from the middle east, Europe, Asia and from southern hemispheric fires. Observations of O3, CO, NOx, H2O and hydroperoxide above West Africa along repeated meridional transects were coupled with transport analysis based on the FLEXPART lagrangian model. The cross analysis of trace gas concentrations and transport pathways revealed 5 types of air masses: convective uplift of industrial and urban emissions, convective uplift of biogenic emissions, slow advection from Cotonou polluted plumes near the coast, meridional transport of upper tropospheric air from the subtropical barrier region, and meridional transport of Southern Hemisphere (SH biomass burning emissions. O3/CO correlation plots and the correlation plots of H2O2 with a OH proxy revealed not only a control of the trace gas variability by transport processes but also significant photochemical reactivity in the mid- and upper troposphere. The study of four MCSs outflow showed contrasted chemical composition and air mass origins depending on the MCSs lifetime and latitudinal position. Favorables conditions for ozone

  13. 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.

  14. 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.

  15. Radiation chemistry and its applications

    International Nuclear Information System (INIS)

    1968-01-01

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

  16. Nanometer scale materials - characterization and fabrication

    International Nuclear Information System (INIS)

    Murday, J.S.; Colton, R.J.; Rath, B.B.

    1993-01-01

    Materials and solid state scientists have made excellent progress in understanding material behavior in length scales from microns to meters. Below a micron, the lack of analytical prowess has been a deterrent. At the atomic scale, chemistry and atomic/molecular physics have also contributed significant understanding of matter. The maturity of these three communities, materials, solid state physics, atomic/molecular physics/chemistry, coupled with the development of analytical capability for nanometer-sized structures, promises to broaden our grasp of materials behavior into the last realm of unexplored size scales-nanometer. The motivation for this effort is driven both by the expectation of novel properties as well as by the potential solution to long standing technological issues. Critical scale lengths for many material properties fall in the nanometer range, examples include superconductor coherence lengths, electron inelastic mean free paths, electron wavelengths in solids, critical lengths for dislocation generation. Structures of nanometer size will undoubtedly show behavior unexpected from experience at the larger and smaller scales. Many technological problems such as adhesion, friction, corrosion, elasticity and fracture are believed to depend critically on nanometer scale phenomena. The millennia-old efforts to improve materials behavior have undoubtedly been slowed by our inability to 'observe' in this size range. (orig.)

  17. Green chemistry measures for process research and development

    Energy Technology Data Exchange (ETDEWEB)

    Constable, D.J.C.; Curzons, A.D.; Freitas dos Santos, L.M. (and others)

    2001-07-01

    A set of metrics has been developed which enables a simple assessment to be made of batch processes in terms of waste, energy usage, and chemistry efficiency. It is intended to raise awareness of green chemistry by providing a tool to assist chemists in monitoring progress in the reduction of environmental impact as they design new routes and modify processes. (author)

  18. Advanced Chemistry Laboratory

    Data.gov (United States)

    Federal Laboratory Consortium — Description/History: Chemistry laboratoryThe Advanced Chemistry Laboratory (ACL) is a unique facility designed for working with the most super toxic compounds known...

  19. Electrostatics in Chemistry

    Indian Academy of Sciences (India)

    fundamental concepts of electrostatics as applied to atoms and molecules. The electric ... chemistry, the chemistry of the covalent bond, deals with the structures ..... the position of an asteroid named Ceres ... World Scientific. Singapore, 1992.

  20. Laser wakefield excitation and measurement on a femtosecond time scale: Theory and experiment. Progress report, September 1, 1994--August 31, 1995

    Energy Technology Data Exchange (ETDEWEB)

    Tajima, T.; Downer, M.

    1995-04-01

    A brief discussion was given for each of the following topics: superluminous wake excitation; photon frequency-shift (photon accelerator) spectroscopy; focusing, diffraction and 2D spectral shift; Raman self-modulation effects; optical preaccelerator; accelerator physics developments; experimental facilities; experimental results--pressure-tunable harmonic generation; experiments in progress--time-domain Rayleigh interferometry; Russian collaboration; and technology transfer.

  1. Laser wakefield excitation and measurement on a femtosecond time scale: Theory and experiment. Progress report, September 1, 1994--August 31, 1995

    International Nuclear Information System (INIS)

    Tajima, T.; Downer, M.

    1995-04-01

    A brief discussion was given for each of the following topics: superluminous wake excitation; photon frequency-shift (photon accelerator) spectroscopy; focusing, diffraction and 2D spectral shift; Raman self-modulation effects; optical preaccelerator; accelerator physics developments; experimental facilities; experimental results--pressure-tunable harmonic generation; experiments in progress--time-domain Rayleigh interferometry; Russian collaboration; and technology transfer

  2. USSR Report Chemistry

    National Research Council Canada - National Science Library

    1986-01-01

    THIS REPORT CONTAINS FOREIGN MEDIA INFORMATION FROM THE USSR CONCERNING Adsorption, Alkaloids, ANALYTICAL CHEMISTRY, CATALYSIS, ELECTROCHEMISTRY, Fertilizers, INORGANIC COMPOUNDS, ORGANOPHOSPHOROUS...

  3. Frontiers in Gold Chemistry

    OpenAIRE

    Ahmed A. Mohamed

    2015-01-01

    Basic chemistry of gold tells us that it can bond to sulfur, phosphorous, nitrogen, and oxygen donor ligands. The Frontiers in Gold Chemistry Special Issue covers gold complexes bonded to the different donors and their fascinating applications. This issue covers both basic chemistry studies of gold complexes and their contemporary applications in medicine, materials chemistry, and optical sensors. There is a strong belief that aurophilicity plays a major role in the unending applications of g...

  4. 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.

  5. 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

  6. 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

  7. 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)

  8. American Association for Clinical Chemistry

    Science.gov (United States)

    ... Find the answer to your question IN CLINICAL CHEMISTRY Hs-cTnI as a Gatekeeper for Further Cardiac ... Online Harmonization.net Commission on Accreditation in Clinical Chemistry American Board of Clinical Chemistry Clinical Chemistry Trainee ...

  9. Quantum chemistry and scientific calculus

    International Nuclear Information System (INIS)

    Gervais, H.P.

    1988-01-01

    The 1988 progress report of the Polytechnic School research team, concerning the quantum chemistry and the scientific calculus. The research program involves the following topics: the transition metals - carbon monoxide systems, which are a suitable model for the chemisorption phenomena; the introduction of the vibronic perturbations in the magnetic screen constants; the gauge invariance method (used in the calculation of the magnetic perturbations), extended to the case of the static or dynamic electrical polarizabilities. The published papers, the congress communications and the thesis are listed [fr

  10. Advances in electron transfer chemistry

    CERN Document Server

    Mariano, Patrick S

    1995-01-01

    Advances in Electron Transfer Chemistry, Volume 4 presents the reaction mechanisms involving the movement of single electrons. This book discusses the electron transfer reactions in organic, biochemical, organometallic, and excited state systems. Organized into four chapters, this volume begins with an overview of the photochemical behavior of two classes of sulfonium salt derivatives. This text then examines the parameters that control the efficiencies for radical ion pair formation. Other chapters consider the progress in the development of parameters that control the dynamics and reaction p

  11. 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.

  12. 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

  13. Fundamentals of reactor chemistry

    International Nuclear Information System (INIS)

    Akatsu, Eiko

    1981-12-01

    In the Nuclear Engineering School of JAERI, many courses are presented for the people working in and around the nuclear reactors. The curricula of the courses contain also the subject material of chemistry. With reference to the foreign curricula, a plan of educational subject material of chemistry in the Nuclear Engineering School of JAERI was considered, and the fundamental part of reactor chemistry was reviewed in this report. Since the students of the Nuclear Engineering School are not chemists, the knowledge necessary in and around the nuclear reactors was emphasized in order to familiarize the students with the reactor chemistry. The teaching experience of the fundamentals of reactor chemistry is also given. (author)

  14. Laser wakefield excitation and measurement on a femtosecond time scale: Theory and experiment. Progress report, September 1, 1993--August 31, 1994

    International Nuclear Information System (INIS)

    Tajima, T.; Downer, M.

    1994-03-01

    This is a progress report describing work on laser generated wakefields, which can be applied to particle acceleration. The authors have carried out simulation studies in one and two dimensions, and experimental studies of the generation of such fields. The authors also report on the propagation studies of femtosecond laser pulses in atmospheric density gases, and work on developing such high power laser sources, with well controlled pointing and spectral characteristics. The project has involved collaboration with Japanese and Russian researchers

  15. 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)

  16. 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)

  17. 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.

  18. 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.

  19. 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

  20. 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

  1. Nuclear chemistry in the traditional chemistry program

    International Nuclear Information System (INIS)

    Kleppinger, E.W.

    1993-01-01

    The traditional undergraduate program for chemistry majors, especially at institutions devoted solely to undergraduate education, has limited space for 'special topics' courses in areas such as nuclear and radiochemistry. A scheme is proposed whereby the basic topics covered in an introductury radiochemistry course are touched upon, and in some cases covered in detail, at some time during the four-year sequence of courses taken by a chemistry major. (author) 6 refs.; 7 tabs

  2. The New Color of Chemistry: Green Chemistry

    OpenAIRE

    Zuhal GERÇEK

    2012-01-01

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

  3. 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.

  4. Pores-scale hydrodynamics in a progressively bio-clogged three-dimensional porous medium: 3D particle tracking experiments and stochastic transport modelling

    Science.gov (United States)

    Morales, V. L.; Carrel, M.; Dentz, M.; Derlon, N.; Morgenroth, E.; Holzner, M.

    2017-12-01

    Biofilms are ubiquitous bacterial communities growing in various porous media including soils, trickling and sand filters and are relevant for applications such as the degradation of pollutants for bioremediation, waste water or drinking water production purposes. By their development, biofilms dynamically change the structure of porous media, increasing the heterogeneity of the pore network and the non-Fickian or anomalous dispersion. In this work, we use an experimental approach to investigate the influence of biofilm growth on pore scale hydrodynamics and transport processes and propose a correlated continuous time random walk model capturing these observations. We perform three-dimensional particle tracking velocimetry at four different time points from 0 to 48 hours of biofilm growth. The biofilm growth notably impacts pore-scale hydrodynamics, as shown by strong increase of the average velocity and in tailing of Lagrangian velocity probability density functions. Additionally, the spatial correlation length of the flow increases substantially. This points at the formation of preferential flow pathways and stagnation zones, which ultimately leads to an increase of anomalous transport in the porous media considered, characterized by non-Fickian scaling of mean-squared displacements and non-Gaussian distributions of the displacement probability density functions. A gamma distribution provides a remarkable approximation of the bulk and the high tail of the Lagrangian pore-scale velocity magnitude, indicating a transition from a parallel pore arrangement towards a more serial one. Finally, a correlated continuous time random walk based on a stochastic relation velocity model accurately reproduces the observations and could be used to predict transport beyond the time scales accessible to the experiment.

  5. 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...

  6. Progress Report

    DEFF Research Database (Denmark)

    Duer, Karsten

    1999-01-01

    Progress report describing the work carried out by the Danish participant in the ALTSET project in the period January 1999 to July 1999.......Progress report describing the work carried out by the Danish participant in the ALTSET project in the period January 1999 to July 1999....

  7. Progress Report

    Science.gov (United States)

    2018-05-16

    This report summarizes the annual progress of EPA’s Clean Air Markets Programs such as the Acid Rain Program (ARP) and the Cross-State Air Pollution Rule (CSAPR). EPA systematically collects data on emissions, compliance, and environmental effects, these data are highlighted in our Progress Reports.

  8. Atmospheric chemistry and climate

    OpenAIRE

    Satheesh, SK

    2012-01-01

    Atmospheric chemistry is a branch of atmospheric science where major focus is the composition of the Earth's atmosphere. Knowledge of atmospheric composition is essential due to its interaction with (solar and terrestrial) radiation and interactions of atmospheric species (gaseous and particulate matter) with living organisms. Since atmospheric chemistry covers a vast range of topics, in this article the focus is on the chemistry of atmospheric aerosols with special emphasis on the Indian reg...

  9. Polymer chemistry (revised edition)

    International Nuclear Information System (INIS)

    Kim, Jae Mum

    1987-02-01

    This book deals with polymer chemistry, which is divided into fourteen chapters. The contents of this book are development of polymer chemistry, conception of polymer, measurement of polymer chemistry, conception of polymer, measurement of polymer, molecule structure of polymer, thermal prosperities of solid polymer, basic theory of polymerization, radical polymerization, ion polymerization, radical polymerization, copolymerization, polymerization by step-reaction, polymer reaction, crown polymer and inorganic polymer on classification and process of creation such as polymeric sulfur and carbon fiber.

  10. Chemistry of the elements

    International Nuclear Information System (INIS)

    Greenwood, N.N.; Earnshaw, A.

    1984-01-01

    This textbook presents an account of the chemistry of the elements for both undergraduate and postgraduate students. It covers not only the 'inorganic' chemistry of the elements, but also analytical, theoretical, industrial, organometallic;, bio-inorganic and other areas of chemistry which apply. The following elements of special nuclear interest are included: Rb, Cs, Fr, Sr, Ba, Ra, Po, At, Rn, Sc, Y, Zr, Hf, V, Nb, Ta, Mo, Tc, Ru, the Lanthanide Elements, the Actinide Elements. (U.K.)

  11. Willamette oxygen supplementation studies -- Scale analyses, Dexter water quality parameters, and adult recoveries: Annual progress report, September 30, 1998--September 29, 1999

    International Nuclear Information System (INIS)

    Ewing, R.D.

    1999-01-01

    This report examines the relationship between scale characteristics of returning adults to determine the fork length at which they entered the ocean. These lengths are then related to the length frequencies of fish in the various experimental groups at the time they left the hatchery. This report summarizes the water quality parameters at Dexter Rearing Ponds and presents the complete returns for all experimental groups

  12. Progress towards the use of publicly available data networks to conduct cross-scale historical reconstructions of carbon dynamics in US Drylands

    Science.gov (United States)

    Washington-Allen, R. A.; Landolt, K.; Emanuel, R. E.; Therrell, M. D.; Nagle, N.; Grissino-Mayer, H. D.; Poulter, B.

    2016-12-01

    Emergent scale properties of water-limited or Dryland ecosystem's carbon flux are unknown at spatial scales from local to global and time scales of 10 - 1000 years or greater. The width of a tree ring is a metric of production that has been correlated with the amount of precipitation. This relationship has been used to reconstruct rainfall and fire histories in the Drylands of the southwestern US. The normalized difference vegetation index (NDVI) is globally measured by selected satellite sensors and is highly correlated with the fraction of solar radiation which is absorbed for photosynthesis by plants (FPAR), as well as with vegetation biomass, net primary productivity (NPP), and tree ring width. Publicly available web-based archives of free NDVI and tree ring data exist and have allowed historical temporal reconstructions of carbon dynamics for the past 300 to 500 years. Climate and tree ring databases have been used to spatially reconstruct drought dynamics for the last 500 years in the western US. In 2007, we hypothesized that NDVI and tree ring width could be used to spatially reconstruct carbon dynamics in US Drylands. In 2015, we succeeded with a 300-year historical spatial reconstruction of NPP in California using a Blue Oak tree ring chronology. Online eddy covariance flux tower measures of NPP are well correlated with satellite measures of NPP. This suggests that net ecosystem exchange (NEE = NPP - soil Respiration) could be historically reconstructed across Drylands. Ongoing research includes 1) scaling historical spatial reconstruction to US Drylands, 2) comparing the use of single versus multiple tree ring species (r2 = 68) and 3) use of the eddy flux tower network, remote sensing, and tree ring data to historically spatially reconstruct Dryland NEE.

  13. Advances in quantum chemistry

    CERN Document Server

    Sabin, John R

    2013-01-01

    Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology. It features detailed reviews written by leading international researchers. This volume focuses on the theory of heavy ion physics in medicine.Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology. It features

  14. Canopy Chemistry (OTTER)

    Data.gov (United States)

    National Aeronautics and Space Administration — ABSTRACT: Canopy characteristics: leaf chemistry, specific leaf area, LAI, PAR, IPAR, NPP, standing biomass--see also: Meteorology (OTTER) for associated...

  15. USSR Report, Chemistry

    National Research Council Canada - National Science Library

    1986-01-01

    This USSR Report on Chemistry contains articles on Aerosols, Adsorption, Biochemistry, Catalysis, Chemical Industry, Coal Gasification, Electrochemistry, Explosives and Explosions, Fertilizers, Food...

  16. Elements of environmental chemistry

    National Research Council Canada - National Science Library

    Hites, R. A; Raff, Jonathan D

    2012-01-01

    ... more. Extensively revised, updated, and expanded, this second edition includes new chapters on atmospheric chemistry, climate change, and polychlorinated biphenyls and dioxins, and brominated flame retardants...

  17. Pore-Scale Hydrodynamics in a Progressively Bioclogged Three-Dimensional Porous Medium: 3-D Particle Tracking Experiments and Stochastic Transport Modeling

    Science.gov (United States)

    Carrel, M.; Morales, V. L.; Dentz, M.; Derlon, N.; Morgenroth, E.; Holzner, M.

    2018-03-01

    Biofilms are ubiquitous bacterial communities that grow in various porous media including soils, trickling, and sand filters. In these environments, they play a central role in services ranging from degradation of pollutants to water purification. Biofilms dynamically change the pore structure of the medium through selective clogging of pores, a process known as bioclogging. This affects how solutes are transported and spread through the porous matrix, but the temporal changes to transport behavior during bioclogging are not well understood. To address this uncertainty, we experimentally study the hydrodynamic changes of a transparent 3-D porous medium as it experiences progressive bioclogging. Statistical analyses of the system's hydrodynamics at four time points of bioclogging (0, 24, 36, and 48 h in the exponential growth phase) reveal exponential increases in both average and variance of the flow velocity, as well as its correlation length. Measurements for spreading, as mean-squared displacements, are found to be non-Fickian and more intensely superdiffusive with progressive bioclogging, indicating the formation of preferential flow pathways and stagnation zones. A gamma distribution describes well the Lagrangian velocity distributions and provides parameters that quantify changes to the flow, which evolves from a parallel pore arrangement under unclogged conditions, toward a more serial arrangement with increasing clogging. Exponentially evolving hydrodynamic metrics agree with an exponential bacterial growth phase and are used to parameterize a correlated continuous time random walk model with a stochastic velocity relaxation. The model accurately reproduces transport observations and can be used to resolve transport behavior at intermediate time points within the exponential growth phase considered.

  18. 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.

  19. DOE fundamentals handbook: Chemistry

    International Nuclear Information System (INIS)

    1993-01-01

    This handbook was developed to assist nuclear facility operating contractors in providing operators, maintenance personnel, and the technical staff with the necessary fundamentals training to ensure a basic understanding of chemistry. This volume contains the following modules: reactor water chemistry (effects of radiation on water chemistry, chemistry parameters), principles of water treatment (purpose; treatment processes [ion exchange]; dissolved gases, suspended solids, and pH control; water purity), and hazards of chemicals and gases (corrosives [acids, alkalies], toxic compounds, compressed gases, flammable/combustible liquids)

  20. 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.

  1. Annual report 1989 Chemistry Department

    International Nuclear Information System (INIS)

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

    1990-03-01

    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 1989 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, chemical reactivity, mineral processing, and general. (author)

  2. Annual report 1988 Chemistry Department

    International Nuclear Information System (INIS)

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

    1989-05-01

    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 1988 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, chemical reactivity, mineral processing, and general. (author)

  3. Annual report 1986 chemistry department

    International Nuclear Information System (INIS)

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

    1987-03-01

    This report contains a brief survey of the main activities in the Chemistry Department. All articles and reports published and lectures given in 1986 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 chemistral, mineral processing, and general. (author)

  4. The Majorana Demonstrator: Progress towards showing the feasibility of a tonne-scale 76Ge neutrinoless double-beta decay experiment

    Science.gov (United States)

    Finnerty, P.; Aguayo, E.; Amman, M.; Avignone, F. T., Iii; Barabash, A. S.; Barton, P. J.; Beene, J. R.; Bertrand, F. E.; Boswell, M.; Brudanin, V.; Busch, M.; Chan, Y.-D.; Christofferson, C. D.; Collar, J. I.; Combs, D. C.; Cooper, R. J.; Detwiler, J. A.; Doe, P. J.; Efremenko, Yu; Egorov, V.; Ejiri, H.; Elliott, S. R.; Esterline, J.; Fast, J. E.; Fields, N.; Fraenkle, F. M.; Galindo-Uribarri, A.; Gehman, V. M.; Giovanetti, G. K.; Green, M. P.; Guiseppe, V. E.; Gusey, K.; Hallin, A. L.; Hazama, R.; Henning, R.; Hoppe, E. W.; Horton, M.; Howard, S.; Howe, M. A.; Johnson, R. A.; Keeter, K. J.; Kidd, M. F.; Knecht, A.; Kochetov, O.; Konovalov, S. I.; Kouzes, R. T.; LaFerriere, B. D.; Leon, J.; Leviner, L. E.; Loach, J. C.; Luke, P. N.; MacMullin, S.; Marino, M. G.; Martin, R. D.; Merriman, J. H.; Miller, M. L.; Mizouni, L.; Nomachi, M.; Orrell, J. L.; Overman, N. R.; Perumpilly, G.; Phillips, D. G., Ii; Poon, A. W. P.; Radford, D. C.; Rielage, K.; Robertson, R. G. H.; Ronquest, M. C.; Schubert, A. G.; Shima, T.; Shirchenko, M.; Snavely, K. J.; Steele, D.; Strain, J.; Timkin, V.; Tornow, W.; Varner, R. L.; Vetter, K.; Vorren, K.; Wilkerson, J. F.; Yakushev, E.; Yaver, H.; Young, A. R.; Yu, C.-H.; Yumatov, V.; Majorana Collaboration

    2014-03-01

    The Majorana Demonstrator will search for the neutrinoless double-beta decay (0vββ) of the 76Ge isotope with a mixed array of enriched and natural germanium detectors. The observation of this rare decay would indicate the neutrino is its own anti-particle, demonstrate that lepton number is not conserved, and provide information on the absolute mass-scale of the neutrino. The Demonstrator is being assembled at the 4850 foot level of the Sanford Underground Research Facility in Lead, South Dakota. The array will be contained in a low-background environment and surrounded by passive and active shielding. The goals for the Demonstrator are: demonstrating a background rate less than 3 t-1 y-1 in the 4 keV region of interest (ROI) surrounding the 2039 keV 76Ge endpoint energy; establishing the technology required to build a tonne-scale germanium based double-beta decay experiment; testing the recent claim of observation of 0vββ [1]; and performing a direct search for light WIMPs (3-10 GeV/c2).

  5. A large scale survey reveals that chromosomal copy-number alterations significantly affect gene modules involved in cancer initiation and progression

    Directory of Open Access Journals (Sweden)

    Cigudosa Juan C

    2011-05-01

    Full Text Available Abstract Background Recent observations point towards the existence of a large number of neighborhoods composed of functionally-related gene modules that lie together in the genome. This local component in the distribution of the functionality across chromosomes is probably affecting the own chromosomal architecture by limiting the possibilities in which genes can be arranged and distributed across the genome. As a direct consequence of this fact it is therefore presumable that diseases such as cancer, harboring DNA copy number alterations (CNAs, will have a symptomatology strongly dependent on modules of functionally-related genes rather than on a unique "important" gene. Methods We carried out a systematic analysis of more than 140,000 observations of CNAs in cancers and searched by enrichments in gene functional modules associated to high frequencies of loss or gains. Results The analysis of CNAs in cancers clearly demonstrates the existence of a significant pattern of loss of gene modules functionally related to cancer initiation and progression along with the amplification of modules of genes related to unspecific defense against xenobiotics (probably chemotherapeutical agents. With the extension of this analysis to an Array-CGH dataset (glioblastomas from The Cancer Genome Atlas we demonstrate the validity of this approach to investigate the functional impact of CNAs. Conclusions The presented results indicate promising clinical and therapeutic implications. Our findings also directly point out to the necessity of adopting a function-centric, rather a gene-centric, view in the understanding of phenotypes or diseases harboring CNAs.

  6. 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

  7. The phosphorus and the transition metals chemistry

    International Nuclear Information System (INIS)

    Mathey, F.

    1988-01-01

    The 1988 progress report, concerning the Polytechnic School unit (France), which studies the phosphorus and the transition metals chemistry, is presented. The laboratory activities are related to the following topics: the phosporus heterocyclic chemistry, the phosphorus-carbon double bonds chemistry, the new transition metals phosphorus compounds, the phosphonates and their uses. Some practical applications of homogeneous catalysis and new materials synthesis are investigated. The main results obtained are: the discovery of the tetra-phosphafulvalenes, the utilization of a new synthesis method of the phosphorus-carbon double bonds and the stabilization of the α-phosphonyled carbanions by the lithium diisopropylamidourea. The papers, the congress communications and the thesis are also shown [fr

  8. Titanocene sulfide chemistry

    Czech Academy of Sciences Publication Activity Database

    Horáček, Michal

    2016-01-01

    Roč. 314, MAY 2016 (2016), s. 83-102 ISSN 0010-8545 R&D Projects: GA ČR(CZ) GAP207/12/2368 Institutional support: RVO:61388955 Keywords : titanocene sulfide chemistry * photolysis * titanocene hydrosulfides Ti-(SH)n Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 13.324, year: 2016

  9. A green chemistry approach

    Indian Academy of Sciences (India)

    Administrator

    One-pot synthesis of quinaldine derivatives by using microwave irradiation without any solvent – A green chemistry approach. JAVAD SAFARI*, SAYED HOSSEIN BANITABA and SEPEHR SADEGH SAMIEI. Department of Chemistry, The Faculty of sciences, University of Kashan, Kashan,. P.O. Box 87317-51167, I.R. Iran.

  10. Chemistry in Microfluidic Channels

    Science.gov (United States)

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

    2011-01-01

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

  11. Chemistry of americium

    Energy Technology Data Exchange (ETDEWEB)

    Schulz, W.W.

    1976-01-01

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

  12. Movies in Chemistry Education

    Science.gov (United States)

    Pekdag, Bulent; Le Marechal, Jean-Francois

    2010-01-01

    This article reviews numerous studies on chemistry movies. Movies, or moving pictures, are important elements of multimedia and signify a privileged or motivating means of presenting knowledge. Studies on chemistry movies show that the first movie productions in this field were devoted to university lectures or documentaries. Shorter movies were…

  13. WATER CHEMISTRY ASSESSMENT METHODS

    Science.gov (United States)

    This section summarizes and evaluates the surfce water column chemistry assessment methods for USEPA/EMAP-SW, USGS-NAQA, USEPA-RBP, Oho EPA, and MDNR-MBSS. The basic objective of surface water column chemistry assessment is to characterize surface water quality by measuring a sui...

  14. The Breath of Chemistry

    DEFF Research Database (Denmark)

    Josephsen, Jens

    The present preliminary text is a short thematic presentation in biological inorganic chemistry meant to illustrate general and inorganic (especially coordination) chemistry in biochemistry. The emphasis is on molecular models to explain features of the complicated mechanisms essential to breathing...

  15. Exercises in Computational Chemistry

    DEFF Research Database (Denmark)

    Spanget-Larsen, Jens

    2016-01-01

    A selection of HyperChem© PC-exercises in computational chemistry. Answers to most questions are appended (Roskilde University 2014-16).......A selection of HyperChem© PC-exercises in computational chemistry. Answers to most questions are appended (Roskilde University 2014-16)....

  16. Chemistry and Biology

    Science.gov (United States)

    Wigston, David L.

    1970-01-01

    Discusses the relationship between chemisty and biology in the science curriculum. Points out the differences in perception of the disciplines, which the physical scientists favoring reductionism. Suggests that biology departments offer a special course for chemistry students, just as the chemistry departments have done for biology students.…

  17. Progressive Business

    DEFF Research Database (Denmark)

    Christiansen, Christian O.

    2016-01-01

    Guest Post to the Society for U.S. Intellectual History Blog. Brief introduction to the book Progressive Business: An Intellectual History of the Role of Business in American Society, Oxford U.P., 2015.......Guest Post to the Society for U.S. Intellectual History Blog. Brief introduction to the book Progressive Business: An Intellectual History of the Role of Business in American Society, Oxford U.P., 2015....

  18. 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.

  19. 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.)

  20. Korean Kimchi Chemistry: A Multicultural Chemistry Connection

    Science.gov (United States)

    Murfin, Brian

    2009-01-01

    Connecting science with different cultures is one way to interest students in science, to relate science to their lives, and at the same time to broaden their horizons in a variety of ways. In the lesson described here, students make kimchi, a delicious and popular Korean dish that can be used to explore many important chemistry concepts,…