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.

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.

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

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.

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.

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.

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,…

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

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.

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

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.

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

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.

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

International Nuclear Information System (INIS)

Ryan, R.R.

1981-05-01

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

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

Energy Technology Data Exchange (ETDEWEB)

Ryan, R.R. (comp.)

1981-05-01

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

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.

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.

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.

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.

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.

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…

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

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...

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…

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

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.…

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)

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.

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

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.)

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

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)

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

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.

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)

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

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

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.)

"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)…

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.)

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

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

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.

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.

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

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

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

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

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.

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)

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.

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

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.

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.

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

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.

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

International Nuclear Information System (INIS)

1982-01-01

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

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

Energy Technology Data Exchange (ETDEWEB)

1982-01-01

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

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)

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)

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

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.

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

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)

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.

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

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)

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...

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

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)

Green Chemistry Metrics with Special Reference to Green Analytical Chemistry

Directory of Open Access Journals (Sweden)

Marek Tobiszewski

2015-06-01

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

Green Chemistry Metrics with Special Reference to Green Analytical Chemistry.

Science.gov (United States)

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

2015-06-12

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

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.

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.

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)

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.

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...

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...

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 ...

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

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.)

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

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.

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.

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

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'…

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

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

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.

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.)

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

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)

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.)

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,

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.

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

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...

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

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.

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.

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.

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

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.

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

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

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

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.)

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.)

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.)

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.)

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

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…

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

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

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 .

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.

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

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.

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.

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…

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

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…

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…

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

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

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.)

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.

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.)

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.

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.)

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.)

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

Progress in compact soft x-ray lasers and their applications

International Nuclear Information System (INIS)

Suckewer, S.; Skinner, C.H.

1995-01-01

The ultra-high brightness and short pulse duration of soft x-ray lasers provide unique advantages for novel applications. A crucial factor in the availability of these devices is their scale and cost. Recent breakthroughs in this field has brought closer the advent of table-top devices, suitable for applications to fields such as x-ray microscopy, chemistry, material science, plasma diagnostics, and lithography. In this article we review recent progress in the development of compact (table-top) soft x-ray lasers

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, NO_x, 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.

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.)

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…

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.

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)

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

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…

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

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)

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.

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 ...

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

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

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...

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.

Isotope and Nuclear Chemistry Division annual report, FY 1983

International Nuclear Information System (INIS)

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

1984-05-01

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

Isotope and Nuclear Chemistry Division annual report, FY 1983

Energy Technology Data Exchange (ETDEWEB)

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

1984-05-01

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

Isotope and Nuclear Chemistry Division annual report, FY 1984

International Nuclear Information System (INIS)

Heiken, J.H.

1985-04-01

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

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.

Proceedings of the 3rd international symposium on material chemistry in nuclear environment (MATERIAL CHEMISTRY '02)

International Nuclear Information System (INIS)

2003-03-01

The volume contains all presented papers during the 3rd International Symposium on Material Chemistry in Nuclear Environment: MATERIAL CHEMISTRY 02 (MC'02), held March 13-15, 2002. The purpose of this symposium is to provide an international forum for the discussion of recent progress in the field of materials chemistry in nuclear environments. This symposium intends to build on the success of the previous symposiums held in Tsukuba in 1992 and 1996. The topics discussed in the symposium MC'02 are Chemical Reaction and Thermodynamics, Degradation Phenomena, New Characterization Technology, Fabrication and New Materials, Composite Materials, Surface Modification, and Computational Science. The 61 of the presented papers are indexed individually. (J.P.N.)

Chemistry evaluation in French EDF Nuclear Power Plants

International Nuclear Information System (INIS)

Jacquier, Hervé

2014-01-01

The Nuclear Production Division of EDF is comprised of 19 power stations (58 PWR reactors) and 2 national engineering organisations. Nuclear Inspection (IN) is an internal assessment unit of the EDF Nuclear Production Directorate. At the request of the Directorate, it carries out periodic evaluations of all the units of the division. The evaluation of the nuclear sites (EGE: Overall Excellence Assessment) is carried out every 4 years, an intermediate evaluation is also carried out between each EGE. These evaluations are independent of the WANO and IAEA evaluations. Exchanges are carried out between Nuclear Inspection and the other international operators (for example, USA (INPO), England, China...) to share site evaluation methods. These evaluations are carried out by a team of 30 inspectors, reinforced during each evaluation by 10 peers who come from the various French nuclear sites. Nuclear Inspection produces a performance standards document for each FUNCTIONAL AREA, which is based on the requirements of the company. On the whole, 13 areas are evaluated during each inspection, in particular: Management, Operations, Maintenance, Engineering and Chemistry. The area of reactor plant chemistry has been evaluated since 2009. The Chemistry performance standards document is written from the EDF internal requirements and international references. During site evaluations, all the performance standards are assessed for compliance. The Chemistry performance standards document is comprised of 3 topics: Management of plant chemistry, The respect of the chemical and radiochemical specifications, The condition of the laboratories and the sampling lines, measuring equipment, and chemical products. The evaluations carried out make it possible to define strengths and weaknesses which the sites must address. After each evaluation, the assessment is presented to the site management and to the director of EDF Nuclear Production. For 4 years these evaluations have allowed progress to

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

Radiochemistry programme biennial progress report (1986 and 1987)

International Nuclear Information System (INIS)

1988-01-01

This biennial report covers the calendar years 1986 and 1987. This period has seen significant growth in the research activities of the Radiochemistry Programme and this is reflected in this report. The report is organised subject-wise into sections dealing with Fuel Chemistry and Thermodynamics, Sodium Chemistry, Analytical Chemistry and Instrumentation. The major part of the activities of the Radiochemistry Programme relates to fuel chemistry including thermophysical and thermodynamic properties of fuel materials, chemistry of fuel reprocessing and facilities as well as techniques for post-irradiation studies. Sodium chemistry is a smaller but important R and D activity, which has reached full maturity during the period of this report. Analytical chemistry and instrumentation are essential supporting activities. The rapid progress made over the last two years are reflected in the number of items covered in this report. In order to keep the total length of this report under control, the editors had to restrict the individual activities to one or two pages. Though the details of various studies are not presented here, it is hoped that the report gives an overview of the progress made by the Radiochemistry Programme in the last two years. The list of publications given at the end also reflects the growth in research programmes. (author)

Chemistry

International Nuclear Information System (INIS)

Ferris, L.M.

1976-01-01

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

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)

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.

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

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 ...

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.

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…

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

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

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)

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.

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.

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)

Prediction of autoignition in a lifted methane/air flame using an unsteady flamelet/progress variable model

Energy Technology Data Exchange (ETDEWEB)

Ihme, Matthias; See, Yee Chee [Department of Aerospace Engineering, University of Michigan, Ann Arbor, MI 48109 (United States)

2010-10-15

An unsteady flamelet/progress variable (UFPV) model has been developed for the prediction of autoignition in turbulent lifted flames. The model is a consistent extension to the steady flamelet/progress variable (SFPV) approach, and employs an unsteady flamelet formulation to describe the transient evolution of all thermochemical quantities during the flame ignition process. In this UFPV model, all thermochemical quantities are parameterized by mixture fraction, reaction progress parameter, and stoichiometric scalar dissipation rate, eliminating the explicit dependence on a flamelet time scale. An a priori study is performed to analyze critical modeling assumptions that are associated with the population of the flamelet state space. For application to LES, the UFPV model is combined with a presumed PDF closure to account for subgrid contributions of mixture fraction and reaction progress variable. The model was applied in LES of a lifted methane/air flame. Additional calculations were performed to quantify the interaction between turbulence and chemistry a posteriori. Simulation results obtained from these calculations are compared with experimental data. Compared to the SFPV results, the unsteady flamelet/progress variable model captures the autoignition process, and good agreement with measurements is obtained for mixture fraction, temperature, and species mass fractions. From the analysis of scatter data and mixture fraction-conditional results it is shown that the turbulence/chemistry interaction delays the ignition process towards lower values of scalar dissipation rate, and a significantly larger region in the flamelet state space is occupied during the ignition process. (author)

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

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

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...

Progress Report No. 65 Aug. 15-Sept. 15, 1948

Energy Technology Data Exchange (ETDEWEB)

Various

1948-09-15

This is a progress report on the following: (1) 184-inch Cyclotron Program; (2) 60-inch Cyclotron Operation; (3) Synchrotron Program; (4) Linear Accelerator Operation; (5) Experimental Physics; (6) Theoretical Physics; (7) Isotope Separation Program; (8) Chemistry; (9) Medical Physics; and (10) Health Chemistry and Physics.

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.)

Research needs and opportunities in radiation chemistry workshop

Energy Technology Data Exchange (ETDEWEB)

Barbara, Paul F

1998-04-19

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

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

Progress in molecular precursors for electronic materials

Energy Technology Data Exchange (ETDEWEB)

Buhro, W.E. [Washington Univ., St. Louis, MO (United States)

1996-09-01

Molecular-precursor chemistry provides an essential underpinning to all electronic-materials technologies, including photovoltaics and related areas of direct interest to the DOE. Materials synthesis and processing is a rapidly developing field in which advances in molecular precursors are playing a major role. This article surveys selected recent research examples that define the exciting current directions in molecular-precursor science. These directions include growth of increasingly complex structures and stoichiometries, surface-selective growth, kinetic growth of metastable materials, growth of size-controlled quantum dots and quantum-dot arrays, and growth at progressively lower temperatures. Continued progress in molecular-precursor chemistry will afford precise control over the crystal structures, nanostructures, and microstructures of electronic materials.

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

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.

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

Quarterly Progress Report (April 1 to June 30, 1950)

Energy Technology Data Exchange (ETDEWEB)

Brookhaven National Laboratory

1950-07-01

This is the second of a series of Quarterly Progress Reports. While most of the departments have summarized their work or used a form comparable to abstracts, the Chemistry Department has given both abstracts and complete reports on its work. The major part of the progress in the Reactor Science and Engineering Department is being presented simultaneously in a separate classified report. There are reports from the following departments: (1) physics department; (2) instrumentation and health physics department; (3) accelerator project; (4) chemistry department; (5) reactor science and engineering department; (6) biology department; and (7) medical department.

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

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.

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)

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 ...

Chemistry and radiation in oxy-fuel combustion

DEFF Research Database (Denmark)

Yin, Chungen; Rosendahl, Lasse; Kær, Søren Knudsen

2011-01-01

In order to investigate the role of combustion chemistry and radiation heat transfer in oxy-fuel combustion modeling, a computational fluid dynamics (CFD) modeling study has been performed for two different oxy-fuel furnaces. One is a lab-scale 0.8MW oxy-natural gas flame furnace whose detailed in....... Among the key issues in combustion modeling, e.g., mixing, radiation and chemistry, this paper derives useful guidelines on radiation and chemistry implementation for reliable CFD analyses of oxy-fuel combustion, particularly for industrial applications....

Cellular uptake: lessons from supramolecular organic chemistry.

Science.gov (United States)

Gasparini, Giulio; Bang, Eun-Kyoung; Montenegro, Javier; Matile, Stefan

2015-07-04

The objective of this Feature Article is to reflect on the importance of established and emerging principles of supramolecular organic chemistry to address one of the most persistent problems in life sciences. The main topic is dynamic covalent chemistry on cell surfaces, particularly disulfide exchange for thiol-mediated uptake. Examples of boronate and hydrazone exchange are added for contrast, comparison and completion. Of equal importance are the discussions of proximity effects in polyions and counterion hopping, and more recent highlights on ring tension and ion pair-π interactions. These lessons from supramolecular organic chemistry apply to cell-penetrating peptides, particularly the origin of "arginine magic" and the "pyrenebutyrate trick," and the currently emerging complementary "disulfide magic" with cell-penetrating poly(disulfide)s. They further extend to the voltage gating of neuronal potassium channels, gene transfection, and the delivery of siRNA. The collected examples illustrate that the input from conceptually innovative chemistry is essential to address the true challenges in biology beyond incremental progress and random screening.

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

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

International Nuclear Information System (INIS)

Heiken, J.H.

1987-06-01

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

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

Energy Technology Data Exchange (ETDEWEB)

Heiken, J.H. (ed.)

1987-06-01

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

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.

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

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

Attitudes towards chemistry among engineering students

Science.gov (United States)

Olivo Delgado, Carlos J.

The attitudes towards chemistry of the engineering students enrolled in an introductory course at the Polytechnic University of Puerto Rico were explored (n = 115). A mixed methodology was used in an exploratory-oriented research approach. The first stage consisted of the administration of a Likert scale attitudinal survey which was validated during the study's design process. The survey allowed collecting information about the participant's attitudes towards their personal opinion, their perspectives about peer's or relatives' opinion, relevant aspects of the discipline, and difficulty-increasing factors in the chemistry course. The scale internal reliability was measured in a pilot study with a convenience simple, obtaining an acceptable coefficient (Cronbach alpha = 0.731). Survey results evidenced a mainly neutral attitude towards the chemistry course, not highly negative or highly positive, in contrast with other studies in this field. On the other hand, the normality hypothesis was tested for the scores obtained by participants in the survey. Although the pilot study sample had an approximately normal distribution, the scores in obtained by the participants in the survey failed the normality test criteria. The second stage of the study was accomplished using a case study. Among the survey participants, some students were invited to in-depth interviews to elucidate the reasons why they have certain attitudes towards chemistry. Study time, instructor, motivation, term of study, and course schedule are the factors that interviewees agreed as contributors to success or failure in the chemistry course. Interview's participants emphasized that study time is determinant to pass the class. This methodological approach, quantitative followed by qualitative, was useful in describing the attitudes towards chemistry among university students of engineering.

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.

Liquid phase oxidation chemistry in continuous-flow microreactors.

Science.gov (United States)

Gemoets, Hannes P L; Su, Yuanhai; Shang, Minjing; Hessel, Volker; Luque, Rafael; Noël, Timothy

2016-01-07

Continuous-flow liquid phase oxidation chemistry in microreactors receives a lot of attention as the reactor provides enhanced heat and mass transfer characteristics, safe use of hazardous oxidants, high interfacial areas, and scale-up potential. In this review, an up-to-date overview of both technological and chemical aspects of liquid phase oxidation chemistry in continuous-flow microreactors is given. A description of mass and heat transfer phenomena is provided and fundamental principles are deduced which can be used to make a judicious choice for a suitable reactor. In addition, the safety aspects of continuous-flow technology are discussed. Next, oxidation chemistry in flow is discussed, including the use of oxygen, hydrogen peroxide, ozone and other oxidants in flow. Finally, the scale-up potential for continuous-flow reactors is described.

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...

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

International Nuclear Information System (INIS)

Heiken, J.H.

1986-04-01

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

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.

2017 Atmospheric Chemistry Gordon Research Conference

Science.gov (United States)

2017-11-13

am - 10:45 am Discussion 10:45 am - 11:05 am Coffee Break 11:05 am - 11:35 am Allison Steiner (University of Michigan, USA) "The Atmospheric Life ...34Progress and Prospects: The Quest to Understand the Impacts of Multiphase Chemistry on a Wet Planet " 11:35 am - 11:50 am Discussion 11:50 am - 12:00

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...

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...

Nanoinformatics: an emerging area of information technology at the intersection of bioinformatics, computational chemistry and nanobiotechnology

Directory of Open Access Journals (Sweden)

Fernando González-Nilo

2011-01-01

Full Text Available After the progress made during the genomics era, bioinformatics was tasked with supporting the flow of information generated by nanobiotechnology efforts. This challenge requires adapting classical bioinformatic and computational chemistry tools to store, standardize, analyze, and visualize nanobiotechnological information. Thus, old and new bioinformatic and computational chemistry tools have been merged into a new sub-discipline: nanoinformatics. This review takes a second look at the development of this new and exciting area as seen from the perspective of the evolution of nanobiotechnology applied to the life sciences. The knowledge obtained at the nano-scale level implies answers to new questions and the development of new concepts in different fields. The rapid convergence of technologies around nanobiotechnologies has spun off collaborative networks and web platforms created for sharing and discussing the knowledge generated in nanobiotechnology. The implementation of new database schemes suitable for storage, processing and integrating physical, chemical, and biological properties of nanoparticles will be a key element in achieving the promises in this convergent field. In this work, we will review some applications of nanobiotechnology to life sciences in generating new requirements for diverse scientific fields, such as bioinformatics and computational chemistry.

Contribution of radiation chemistry to the study of metal clusters.

Science.gov (United States)

Belloni, J

1998-11-01

Radiation chemistry dates from the discovery of radioactivity one century ago by H. Becquerel and P. and M. Curie. The complex phenomena induced by ionizing radiation have been explained progressively. At present, the methodology of radiation chemistry, particularly in the pulsed mode, provides a powerful means to study not only the early processes after the energy absorption, but more generally a broad diversity of chemical and biochemical reaction mechanisms. Among them, the new area of metal cluster chemistry illustrates how radiation chemistry contributed to this field in suggesting fruitful original concepts, in guiding and controlling specific syntheses, and in the detailed elaboration of the mechanisms of complex and long-unsolved processes, such as the dynamics of nucleation, electron transfer catalysis and photographic development.

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)

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

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

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.)

Radiochemistry Programme biennial progress report 1984 and 1985

International Nuclear Information System (INIS)

1986-01-01

This biennial progress report of the Radiochemistry Programme covers the calendar years 1984 and 1985. This report is organised into sections in a manner similar to the organisation of the Radiochemistry Programme. Thus the section on Fuel Behaviour Studies include post-irradiation studies (where the emphasis has been on setting up of facilities), mass spectrometry an nuclear chemistry. Process Chemistry Section covers the activities relating to fuel reprocessing as well as preparation and characterisation of fuel materials. Solid State Chemistry Section deals with thermophysical properties, thermogravimetry, oxygen potentials etc. In the Sodium Chemistry Section the developments relating to on-line meters and their applications are stressed in addition to studies on ternary systems involving sodium and oxygen. Developments in analytical chemistry and analytical services are covered in the next two Sections. Technical Services Section deals with developments in instrumentation and mechanical fabrication. (author)

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

Development of Database and Lecture Book for Nuclear Water Chemistry

International Nuclear Information System (INIS)

Maeng, Wan Young; Kim, U. C.; Na, J. W.; Choi, B. S.; Lee, E. H.; Kim, K. H.; Kim, K. M.; Kim, S. H.; Im, K. S.

2010-02-01

In order to establish a systematic and synthetic knowledge system of nuclear water chemistry, we held nuclear water chemistry experts group meetings. We discussed the way of buildup and propagation of nuclear water chemistry knowledge with domestic experts. We obtained a lot of various opinions that made the good use of this research project. The results will be applied to continuous buildup of domestic nuclear water chemistry knowledge database. Lessons in water chemistry of nuclear power plants (NPPs) have been opened in Nuclear Training and education Center, KAERI to educate the new generation who are working and will be working at the department of water chemistry of NPPs. The lessons were 17 and lesson period was from 12th May through 5th November. In order to progress the programs, many water chemistry experts were invited. They gave lectures to the younger generation once a week for 2 h about their experiences obtained during working on water chemistry of NPPs. The number of attendance was 290. The lessons were very effective and the lesson data will be used to make database for continuous use

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

Chemistry of nuclear resources, technology, and waste

International Nuclear Information System (INIS)

Keller, O.L. Jr.

1978-01-01

Chemistry is being called on today to obtain useful results in areas that have been found very difficult for it in the past, but new instrumentation and new theories are allowing much progress. The area of hydrolytic phenomena and colloid chemistry, as exemplified by the plutonium polymer problem, is clearly entering a new phase in which it can be studied in a much more controlled and understandable manner. The same is true of the little studied interfacial regions, where so much important chemistry occurs in solvent extraction and other systems. The studies of the adsorption phenomena on clays are an illustration of the new and useful modeling of geochemical phenomena that is now possible. And finally, the chemist is called upon to participate in the developement and evaluation of models for nuclear waste isolation requiring extrapolations of hundreds to hundreds of thousands of years into the future. It is shown that chemistry may be useful in keeping the extrapolations in the shorter time spans, and also in selecting the best materials for containment. 36 figures

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.

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

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)

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)

Radiochemistry Division annual progress report for 1982

International Nuclear Information System (INIS)

Bhargava, V.K.; Rao, V.K.

1984-01-01

The progress report of the Radiochemistry Division of the Bhabha Atomic Research Centre, Bombay, presents the research and development work carried out during 1982 in the form of individual summaries arranged under the headings: reactor fuel chemistry, heavy element chemistry, radioanalytical chemistry, and nuclear chemistry. Some of the highlights of the R and D activities are: (1) optimisation of the chemical parameters for the preparation of UO 2 microspheres by internal gelation method, (2) synergetic extraction studies of various actinides from aqueous solutions, (3) development of methods of determination of uranium, 241 Am and 239 Pu, (4) fission studies of 232 Th, 236 U, 252 Cf and 229 Th, (5) determination of half-life of 241 Pu by various methods. A list of publications of the members of the Division published during 1982 is also given. (M.G.B.)

Radiochemistry Division annual progress report : 1990

International Nuclear Information System (INIS)

Iyer, R.H.

1992-01-01

This progress report provides an account of the research and development activities of the Radiochemistry Division during the year 1990 in the areas of nuclear chemistry, actinide chemistry and spectroscopy. The main area of work in nuclear chemistry is centered around the fission process induced by reactor neutrons, and light and heavy ions on actinides and low Z (Z<80) elements. Actinide chemistry research is concerned mostly with extraction, complexation and separation of actinide ions from aqueous media using a variety of organic reagents under different experimental conditions. Spectroscopic studies include development and optimisation of chemical/analytical methods for separation and determination of trace metallic impurities and rare earths in fuel materials and EPR and microwave studies on several compounds to understand their superconducting, structural and magnetic properties. A list of publications by the scientific staff of the Division during 1990 is also given in the report. (author). 45 figs., 44 tabs

Measuring the development of conceptual understanding in chemistry

Science.gov (United States)

Claesgens, Jennifer Marie

The purpose of this dissertation research is to investigate and characterize how students learn chemistry from pre-instruction to deeper understanding of the subject matter in their general chemistry coursework. Based on preliminary work, I believe that students have a general pathway of learning across the "big ideas," or concepts, in chemistry that can be characterized over the course of instruction. My hypothesis is that as students learn chemistry they build from experience and logical reasoning then relate chemistry specific ideas in a pair-wise fashion before making more complete multi-relational links for deeper understanding of the subject matter. This proposed progression of student learning, which starts at Notions, moves to Recognition, and then to Formulation, is described in the ChemQuery Perspectives framework. My research continues the development of ChemQuery, an NSF-funded assessment system that uses a framework of the key ideas in the discipline and criterion-referenced analysis using item response theory (IRT) to map student progress. Specifially, this research investigates the potential for using criterion-referenced analysis to describe and measure how students learn chemistry followed by more detailed task analysis of patterns in student responses found in the data. My research question asks: does IRT work to describe and measure how students learn chemistry and if so, what is discovered about how students learn? Although my findings seem to neither entirely support nor entirely refute the pathway of student understanding proposed in the ChemQuery Perspectives framework. My research does provide an indication of trouble spots. For example, it seems like the pathway from Notions to Recognition is holding but there are difficulties around the transition from Recognition to Formulation that cannot be resolved with this data. Nevertheless, this research has produced the following, which has contributed to the development of the Chem

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.

Research Progress of Microfluidic Chips Preparation and its Optical Element

Directory of Open Access Journals (Sweden)

Feng WANG

2014-03-01

Full Text Available Microfluidic technology is the emerging technologies in researching fluid channel and related applications in the micro and nano-scale space. Microfluidic chip is a new miniaturized rapid analysis platform by microfluidic technology, it has many characteristics such as liquid flow control, minimal reagent consumption, rapid analysis, which is widely used in physics, chemistry, biology, and engineering science and other fields, it has strong interdisciplinary. This paper mainly discusses research progress of materials used for microfluidic chips and the devices based on microfluidic technology, including microfluidic chip, microfluidic optical devices, microfluidic laser preparation, microfluidic chip applications, focusing on the quasi-molecular laser processing technology and femtosecond laser processing technology in the microfluidic devices preparation, and make development prospects for it.

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

Exploiting Locality in Quantum Computation for Quantum Chemistry.

Science.gov (United States)

McClean, Jarrod R; Babbush, Ryan; Love, Peter J; Aspuru-Guzik, Alán

2014-12-18

Accurate prediction of chemical and material properties from first-principles quantum chemistry is a challenging task on traditional computers. Recent developments in quantum computation offer a route toward highly accurate solutions with polynomial cost; however, this solution still carries a large overhead. In this Perspective, we aim to bring together known results about the locality of physical interactions from quantum chemistry with ideas from quantum computation. We show that the utilization of spatial locality combined with the Bravyi-Kitaev transformation offers an improvement in the scaling of known quantum algorithms for quantum chemistry and provides numerical examples to help illustrate this point. We combine these developments to improve the outlook for the future of quantum chemistry on quantum computers.

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...

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.)

Water scaling in the North Sea oil and gas fields and scale prediction: An overview

Energy Technology Data Exchange (ETDEWEB)

Yuan, M

1997-12-31

Water-scaling is a common and major production chemistry problem in the North Sea oil and gas fields and scale prediction has been an important means to assess the potential and extent of scale deposition. This paper presents an overview of sulphate and carbonate scaling problems in the North Sea and a review of several widely used and commercially available scale prediction software. In the paper, the water chemistries and scale types and severities are discussed relative of the geographical distribution of the fields in the North Sea. The theories behind scale prediction are then briefly described. Five scale or geochemical models are presented and various definitions of saturation index are compared and correlated. Views are the expressed on how to predict scale precipitation under some extreme conditions such as that encountered in HPHT reservoirs. 15 refs., 7 figs., 9 tabs.

Progress report 1984-1985 (no.21)

International Nuclear Information System (INIS)

1986-01-01

The department of fundamental research at Grenoble includes physics, chemistry, biology laboratories, low temperature group and atomic physics and ion source development group. The great subjects of physics group are nuclear physics, defects and atomic mobility in metals and crystalline alloys, metallic amorphous, semi-conductors, structures, hydrogen in metals and ion diffusion, magnetism and phase transitions, rare earths, actinides, physico-chemistry, applications of magnetic resonance in biology and medicine. In chemistry, the research topics gathered around three principal axes: coordination chemistry, molecular electrochemistry, and natural polymer studies. Biological systems which are studied are, for most of them, protein systems of membrane nature or interacting with membrane receivers. Comprehension of cellular mechanisms at a molecular scale is aimed at [fr

Embedded Mathematics in Chemistry: A Case Study of Students' Attitudes and Mastery

Science.gov (United States)

Preininger, Anita M.

2017-02-01

There are many factors that shape students' attitudes toward science, technology, engineering and mathematics. This exploratory study of high school students examined the effect of enriching chemistry with math on chemistry students' attitudes toward math and careers involving math. To measure student attitudes, a survey was administered before and after the 18-week chemistry class; results from the chemistry class were compared to survey results from students in an elective science class that did not emphasize mathematics. At the end of the 18-week period, only the chemistry students exhibited more positive views toward their abilities in mathematics and careers that involve mathematics, as compared to their views at the outset of the course. To ensure that chemistry mastery was not hindered by the additional emphasis on math, and that mastery on state end-of-course examinations reflected knowledge acquired during the math-intensive chemistry class, a chemistry progress test was administered at the start and end of the term. This exploratory study suggests that emphasizing mathematical approaches in chemistry may positively influence attitudes toward math in general, as well as foster mastery of chemistry content.

Radiochemistry Division: Annual progress report for 1981

International Nuclear Information System (INIS)

Jayadevan, N.C.; Manohar, S.B.

1983-01-01

The progress report of the Radiochemistry Division of Bhabha Atomic Research Centre presents the research and development work carried out during 1981 in the form of individual summaries arranged under the headings: reactor fuel chemistry, heavy element chemistry, radioanalytical chemistry, and nuclear chemistry. Some of the highlights of the work are: (1) modification of the gelation set-up for making plutonium containing gel particles to get better yields of (U,Pu)O 2 containing up to 15% of plutonium, (2) studies on solvent extraction of Am(III), Cm(III), Bk(III) and Cf(III) by 1-phenyl-2-methyl-4-benzoyl pyrazolone-5 (HPMBP), (3) study of the radiation chemistry and photochemistry of aqueous solutions of plutonium, (4) study of crystal structure of uranyl oxalate and sulphates, (5) ESR study, thermoluminescence and spectral studies of americium doped SrSO 4 , phosphors, (6) determination of uranium and plutonium by spectrophotometry, mass spectroscopy and alpha spectroscopy, (7) determination of isotopic ratios of plutonium isotopes by gamma spectroscopy, (8) studies on several aspects of fission chemistry of 229 Th and 252 Cf, and (9) fabrication of a neutron well coincidence counter. (M.G.B.)

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

Physics and chemistry of irradiated protostars

DEFF Research Database (Denmark)

Lindberg, Johan

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

Dilution physics modeling: Dissolution/precipitation chemistry

International Nuclear Information System (INIS)

Onishi, Y.; Reid, H.C.; Trent, D.S.

1995-09-01

This report documents progress made to date on integrating dilution/precipitation chemistry and new physical models into the TEMPEST thermal-hydraulics computer code. Implementation of dissolution/precipitation chemistry models is necessary for predicting nonhomogeneous, time-dependent, physical/chemical behavior of tank wastes with and without a variety of possible engineered remediation and mitigation activities. Such behavior includes chemical reactions, gas retention, solids resuspension, solids dissolution and generation, solids settling/rising, and convective motion of physical and chemical species. Thus this model development is important from the standpoint of predicting the consequences of various engineered activities, such as mitigation by dilution, retrieval, or pretreatment, that can affect safe operations. The integration of a dissolution/precipitation chemistry module allows the various phase species concentrations to enter into the physical calculations that affect the TEMPEST hydrodynamic flow calculations. The yield strength model of non-Newtonian sludge correlates yield to a power function of solids concentration. Likewise, shear stress is concentration-dependent, and the dissolution/precipitation chemistry calculations develop the species concentration evolution that produces fluid flow resistance changes. Dilution of waste with pure water, molar concentrations of sodium hydroxide, and other chemical streams can be analyzed for the reactive species changes and hydrodynamic flow characteristics

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

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.

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

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

International Nuclear Information System (INIS)

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

1993-01-01

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

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

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.

The influence of chemistry on severe accident phenomena in integral tests

International Nuclear Information System (INIS)

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

1988-01-01

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

Progress in surface and membrane science

CERN Document Server

Danielli, J F; Cadenhead, D A

1973-01-01

Progress in Surface and Membrane Science, Volume 6 covers the developments in the study of surface and membrane science. The book discusses the progress in surface and membrane science; the solid state chemistry of the silver halide surface; and the experimental and theoretical aspects of the double layer at the mercury-solution interface. The text also describes contact-angle hysteresis; ion binding and ion transport produced by neutral lipid-soluble molecules; and the biophysical interactions of blood proteins with polymeric and artificial surfaces. Physical chemists, biophysicists, and phys

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.

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.

Driving external chemistry optimization via operations management principles.

Science.gov (United States)

Bi, F Christopher; Frost, Heather N; Ling, Xiaolan; Perry, David A; Sakata, Sylvie K; Bailey, Simon; Fobian, Yvette M; Sloan, Leslie; Wood, Anthony

2014-03-01

Confronted with the need to significantly raise the productivity of remotely located chemistry CROs Pfizer embraced a commitment to continuous improvement which leveraged the tools from both Lean Six Sigma and queue management theory to deliver positive measurable outcomes. During 2012 cycle times were reduced by 48% by optimization of the work in progress and conducting a detailed workflow analysis to identify and address pinch points. Compound flow was increased by 29% by optimizing the request process and de-risking the chemistry. Underpinning both achievements was the development of close working relationships and productive communications between Pfizer and CRO chemists. Copyright © 2013 Elsevier Ltd. All rights reserved.

Materials of the yearly scientific assembly of the Polish Chemical Society - Torun'93: chemistry of new materials

International Nuclear Information System (INIS)

1993-01-01

Scientific conference accompanied the assembly of Polish Chemical Society has been held in 1993 in Torun. The conference has been divided into 12 sections and 4 symposia covering the most important research fields in chemistry. The general view on scientific progress has been presented during the plenary session. Then proceedings have performed in specialist sessions on: contemporary methods in organic chemistry chemistry, chemistry and physico-chemistry of polymers, coordination chemistry state-of-the-art prospects, absorption and absorbents, new chemical technologies of organic compounds, new chemical technologies of inorganic compounds, environment protection, new methods in analytical chemistry, photochemistry and chemical kinetics, crystallochemistry, history of chemistry and didactics, new substances in health protection, membranes and membrane techniques, electroactive organic compounds, zeolites - material properties

An Introduction to the Fundamentals of Chemistry for the Marine Engineer.

Science.gov (United States)

Schlenker, Richard M.

This document describes an introduction course in the fundamentals of chemistry for marine engineers. The course is modularized, audio tutorial allowing the student to progress at his own rate while integrating laboratory and lecture materials. (SL)

Increasing character value and conservation behavior through integrated ethnoscience chemistry in chemistry learning: A Case Study in The Department of Science Universitas Negeri Semarang.

Science.gov (United States)

Sudarmin; Sumarni, Woro

2018-04-01

The purpose of this study was to obtain a factual picture of the improvement of students' conservation character and conservation behavior through the application integrated ethnoscience chemistry learning. This research was a case study on students majoring in the Department Of Science Mathematics and Natural Science Faculty Universitas Negeri Semarang. The subjects of the study were 30 students attending ethnoscience course in one of the teacher education institutions in the even semester of the academic year of 2016/2017. The subjects were given chemistry learning integrated into ethnoscience for eight weeks. The technique of data collection was done by using attitude scale arranged based on Likert scale. The data were analyzed by using qualitative descriptive. The results showed that the integrated ethnoscience chemistry learning contributed positively to the improvement of the character value and conservation behavior

Sustainable technological development in chemistry. Improving the quality of life through chemistry and agriculture

Energy Technology Data Exchange (ETDEWEB)

NONE

1999-08-01

The importance of agricultural products, their potential conversion to energy sources and their applications for fibre-reinforced construction materials is emphasized. Another potentially important technology is the conversion of sunlight into electricity such as occurs in the leaves of plants. Parallels with nature exist, even though conversions with inorganic materials have, until now, been promising. The ability to control chemical reactions is the subject throughout all the following chapters. The goal is to achieve high reaction efficiencies and to use fewer basic materials, both of which will lead to a reduction in environmental stress. Sustainable developments in chemistry can be described by two approaches: (1) Improvements in society, with challenges for chemistry; and (2) Improvement in the chemical sector itself. Both approaches are dealt with in this report. Five areas for development have been chosen in the discussions for `DTO-Chemie`: Integrated plant conversion (IPC), in particular Valorisation of plant parts for raw materials and energy; Biomass conversion (C1 Chemistry), in particular Technologies for (among others) C1-based chemicals and energy carriers; Photovoltaic cells (PSC), in particular Technologies for the conversion of solar light into electricity; Process Technology in Fine chemistry (PFC), in particular Methodology of manufacturing processes for Fine chemicals; and Sustainable Construction Materials (FRC); in particular Techniques for using fibre-reinforced composites in construction applications. These areas can be viewed as clusters of technologies, with a strong chemistry and agricultural component, which are necessary for achieving a sustainable future. Furthermore, it is important to recognise that technology requires a progressive development (technology lifecycle). The five areas of technology development are tested against a number of criteria: (1) Sustainability / leap / volume; (2) Horizon 2050; (3) Commitment from industry

High-temperature gas-cooled reactor base-technology program. Progress report, January 1, 1974--June 30, 1975

Energy Technology Data Exchange (ETDEWEB)

Coobs, J.H.; Kasten, P.R.

1976-11-01

Progress is reported in the following areas: PCRV development, studies on structural materials, fission product technology studies, kernel migration and irradiated fuel chemistry, coolant chemistry (steam-graphite reactions), fuel qualification, and characterization and standardization of graphite.

High-temperature gas-cooled reactor base-technology program. Progress report, January 1, 1974--June 30, 1975

International Nuclear Information System (INIS)

Coobs, J.H.; Kasten, P.R.

1976-11-01

Progress is reported in the following areas: PCRV development, studies on structural materials, fission product technology studies, kernel migration and irradiated fuel chemistry, coolant chemistry (steam-graphite reactions), fuel qualification, and characterization and standardization of graphite

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.)

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.

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

Bioorthogonal chemistry: strategies and recent development

Science.gov (United States)

Ramil, Carlo P.; Lin, Qing

2013-01-01

The use of covalent chemistry to track biomolecules in their native environment—a focus of bioorthogonal chemistry—has received considerable interests recently among chemical biologists and organic chemists alike. To facilitate wider adoption of bioorthogonal chemistry in biomedical research, a central effort in the last few years has been focused on the optimization of a few known bioorthogonal reactions, particularly with respective to reaction kinetics improvement, novel genetic encoding systems, and fluorogenic reactions for bioimaging. During these optimizations, three strategies have emerged, including the use of ring strain for substrate activation in the cycloaddition reactions, the discovery of new ligands and privileged substrates for accelerated metal-catalysed reactions, and the design of substrates with pre-fluorophore structures for rapid “turn-on” fluorescence after selective bioorthogonal reactions. In addition, new bioorthogonal reactions based on either modified or completely unprecedented reactant pairs have been reported. Finally, increasing attention has been directed toward the development of mutually exclusive bioorthogonal reactions and their applications in multiple labeling of a biomolecule in cell culture. In this feature article, we wish to present the recent progress in bioorthogonal reactions through the selected examples that highlight the above-mentioned strategies. Considering increasing sophistication in bioorthogonal chemistry development, we strive to project several exciting opportunities where bioorthogonal chemistry can make a unique contribution to biology in near future. PMID:24145483

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.

Organic chemistry and biology: chemical biology through the eyes of collaboration.

Science.gov (United States)

Hruby, Victor J

2009-12-18

From a scientific perspective, efforts to understand biology including what constitutes health and disease has become a chemical problem. However, chemists and biologists "see" the problems of understanding biology from different perspectives, and this has retarded progress in solving the problems especially as they relate to health and disease. This suggests that close collaboration between chemists and biologists is not only necessary but essential for progress in both the biology and chemistry that will provide solutions to the global questions of biology. This perspective has directed my scientific efforts for the past 45 years, and in this overview I provide my perspective of how the applications of synthetic chemistry, structural design, and numerous other chemical principles have intersected in my collaborations with biologists to provide new tools, new science, and new insights that were only made possible and fruitful by these collaborations.

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

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.

Experimental and Theoretical Studies of Atmosphereic Inorganic Chlorine Chemistry

Science.gov (United States)

Sander, Stanley P.; Friedl, Randall R.

1993-01-01

Over the last five years substantial progress has been made in defining the realm of new chlorine chemistry in the polar stratosphere. Application of existing experimental techniques to potentially important chlorine-containing compounds has yielded quantitative kinetic and spectroscopic data as well as qualitative mechanistic insights into the relevant reactions.

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

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

Perception of the Relevance of Organic Chemistry in a German Pharmacy Students’ Course

Science.gov (United States)

Wehle, Sarah

2016-01-01

Objective. To investigate German pharmacy students’ attitudes toward the relevance of organic chemistry training in Julius Maximilian University (JMU) of Würzburg with regard to subsequent courses in the curricula and in later prospective career options. Methods. Surveys were conducted in the second-year organic chemistry course (50 participants) as well as during the third-year and fourth-year lecture cycle on medicinal and pharmaceutical chemistry (66 participants) in 2014. Results. Students’ attitudes were surprisingly consistent throughout the progress of the degree course. Students considered organic chemistry very relevant to the pharmacy study program (95% junior and 97% senior students), and of importance for their future pharmacy program (88% junior and 94% senior students). With regard to prospective career options, the perceived relevance was considerably lower and attitudes were less homogenous. Conclusions. German pharmacy students at JMU Würzburg consider organic chemistry of high relevance for medicinal chemistry and other courses in JMU’s pharmacy program. PMID:27170811

Perception of the Relevance of Organic Chemistry in a German Pharmacy Students' Course.

Science.gov (United States)

Wehle, Sarah; Decker, Michael

2016-04-25

Objective. To investigate German pharmacy students' attitudes toward the relevance of organic chemistry training in Julius Maximilian University (JMU) of Würzburg with regard to subsequent courses in the curricula and in later prospective career options. Methods. Surveys were conducted in the second-year organic chemistry course (50 participants) as well as during the third-year and fourth-year lecture cycle on medicinal and pharmaceutical chemistry (66 participants) in 2014. Results. Students' attitudes were surprisingly consistent throughout the progress of the degree course. Students considered organic chemistry very relevant to the pharmacy study program (95% junior and 97% senior students), and of importance for their future pharmacy program (88% junior and 94% senior students). With regard to prospective career options, the perceived relevance was considerably lower and attitudes were less homogenous. Conclusions. German pharmacy students at JMU Würzburg consider organic chemistry of high relevance for medicinal chemistry and other courses in JMU's pharmacy program.

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

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

Control of water chemistry in operating reactors

International Nuclear Information System (INIS)

Riess, R.

1997-01-01

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

Control of water chemistry in operating reactors

Energy Technology Data Exchange (ETDEWEB)

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

1997-02-01

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

Promoting Student Development of Models and Scientific Inquiry Skills in Acid-Base Chemistry: An Important Skill Development in Preparation for AP Chemistry

Science.gov (United States)

Hale-Hanes, Cara

2015-01-01

In this study, two groups of 11th grade chemistry students (n = 210) performed a sequence of hands-on and virtual laboratories that were progressively more inquiry-based. One-half of the students did the laboratory sequence with the addition of a teacher-led discussion connecting student data to student-generated visual representations of…

Marcoule institute for separation chemistry - ICSM. Scientific report 2007 - 2010

International Nuclear Information System (INIS)

2010-01-01

The mixed research unit 'Institute for Separation Chemistry' was created jointly by CEA, CNRS, University of Montpellier and Ecole Nationale superieure de Chimie de Montpellier has obtained authorisation to start experiments including a few grams of depleted uranium and natural thorium in January 2010. Last takeoff was from our theory group, who started in October 2009. But the unit 'Institut de Chimie separative de Marcoule' existed as a team scattered in several places in France since 2007. At that time, monthly meetings gathered people for full days of open discussion every month, as 'Point ICSM', where colleagues from R/D Departments of the centre of Marcoule composed half of the audience. Scientific activity began in 2007 with progressive joining of ICSM of team leaders, co-workers, technicians and students, today with 38 permanent staff and 29 nonpermanent scientists and students. Most of the staff joined ICSM after or before participating to the European practical summer school in Analytical and separation chemistry, hold yearly for a full week including practical sessions since the first edition 2006 in Montpellier. Resources in Uranium are scarce, if only the 235 isotope is used. Wastes related to nuclear energy production are potentially dangerous. Since fifty years, the chemistry associated to nuclear energy production always followed the principles of green chemistry. Permanent attention in devoted to closing the life-cycle of materials and fuel, minimize wastes and ascertain the acceptability by a society via knowledge of chemistry and physical chemistry involved in the chemistry used for separation. Developing knowledge in order to propose new separation processes is the central aim of the ICSM. Enlarging this central goal to surfaces of materials, sono-chemistry as an example of green chemistry, chemistry and physical chemistry specific to actinides complete this picture. Thus, the ICSM is devoted to chemistry at the service of the nuclear energy of

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

Dragonfly: In Situ Exploration of Titan's Organic Chemistry and Habitability

Science.gov (United States)

Turtle, E. P.; Barnes, J. W.; Trainer, M. G.; Lorenz, R. D.

2017-12-01

Titan's abundant complex carbon-rich chemistry, interior ocean, and past presence of liquid water on the surface make it an ideal destination to study prebiotic chemical processes and document the habitability of an extraterrestrial environment. Titan exploration is a high science priority due to the level of organic synthesis that it supports. Moreover, opportunities for organics to have interacted with liquid water at the surface (e.g., in impact melt sheets) increase the potential for chemical processes to progress further, providing an unparalleled opportunity to investigate prebiotic chemistry, as well as to search for signatures of potential water-based or even hydrocarbon-based life. The diversity of Titan's surface materials and environments drives the scientific need to be able to sample a variety of locations, thus mobility is key for in situ measurements. Titan's atmosphere is 4 times denser than Earth's reducing the wing/rotor area required to generate a given amount of lift, and the low gravity reduces the required magnitude of lift, making heavier-than-air mobility highly efficient. Dragonfly is a rotorcraft lander mission proposed to NASA's New Frontiers Program to take advantage of Titan's unique natural laboratory to understand how far chemistry can progress in environments that provide key ingredients for life. Measuring the compositions of materials in different environments will reveal how far organic chemistry has progressed. Surface material can be sampled into a mass spectrometer to identify the chemical components available and processes at work to produce biologically relevant compounds. Bulk elemental surface composition can be determined by a neutron-activated gamma-ray spectrometer. Meteorology measurements can characterize Titan's atmosphere and diurnal and spatial variations therein. Geologic features can be characterized via remote-sensing observations, which also provide context for samples. Seismic sensing can probe subsurface

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.

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

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

Precipitation of Scale-Forming Species During Processing of High-Level Wastes

International Nuclear Information System (INIS)

Mattigod, Shas V.; Hobbs, David T.; Parker, Kent E.; McCready, David E.

2004-01-01

High-level wastes from fuel-reprocessing operations are being evaporated at the DOE Savannah River Site to concentrate the liquids to about 30 to 40% of their original volume before they are discharged into a holding tank. Recently, the operation of one of the evaporators became progressively more difficult due to more frequent buildup of limited solubility aluminosilicate compounds resulting in the shutdown of the evaporator. Our research objectives were to identify and characterize the chemistry and microstructure of these scale-forming species and to determine the kinetics of formation and transformation of these solids under evaporator conditions. The data we obtained from these tests showed that hydroxide concentration and process temperature are the key factors that control the rate of formation and transformation of the scale forming solids such as zeolite A, sodalite and cancrinite

Chemometrics in analytical chemistry-part I: history, experimental design and data analysis tools.

Science.gov (United States)

Brereton, Richard G; Jansen, Jeroen; Lopes, João; Marini, Federico; Pomerantsev, Alexey; Rodionova, Oxana; Roger, Jean Michel; Walczak, Beata; Tauler, Romà

2017-10-01

Chemometrics has achieved major recognition and progress in the analytical chemistry field. In the first part of this tutorial, major achievements and contributions of chemometrics to some of the more important stages of the analytical process, like experimental design, sampling, and data analysis (including data pretreatment and fusion), are summarised. The tutorial is intended to give a general updated overview of the chemometrics field to further contribute to its dissemination and promotion in analytical chemistry.

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

Directory of Open Access Journals (Sweden)

A. Kerkweg

2012-01-01

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

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…

The Impact of Guided Student-Generated Questioning on Chemistry Achievement and Self-Efficacy of Elementary Preservice Teachers

Science.gov (United States)

Moseley, Christine; Bonner, Emily; Ibey, Marilyn

2016-01-01

This study investigated the use of Guided Student-Generated Questioning (GSGQ) as a metacognitive instructional strategy to increase chemistry achievement and self-efficacy of elementary preservice teachers. The Chemistry Self-Efficacy Scale (CSES), modified from the Biology Self-Efficacy Scale (BSES),was used to determine elementary preservice…

Organic Chemistry and Biology: Chemical Biology Through the Eyes of Collaboration

Science.gov (United States)

Hruby, Victor J.

2011-01-01

From a scientific perspective, efforts to understand biology including what constitutes health and disease has become a chemical problem. However, chemists and biologists “see” the problems of understanding biology from different perspectives, and this has retarded progress in solving the problems especially as they relate to health and disease. This suggests that close collaboration between chemists and biologists is not only necessary but essential for progress in both the biology and chemistry that will provide solutions to the global questions of biology. This perspective has directed my scientific efforts for the past 45 years, and in this overview I provide my perspective of how the applications of synthetic chemistry, structural design, and numerous other chemical principles have intersected in my collaborations with biologists to provide new tools, new science, and new insights that were only made possible and fruitful by these collaborations. PMID:20000552

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...

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.

Reaction chemistry in rechargeable Li-O2 batteries.

Science.gov (United States)

Lim, Hee-Dae; Lee, Byungju; Bae, Youngjoon; Park, Hyeokjun; Ko, Youngmin; Kim, Haegyeom; Kim, Jinsoo; Kang, Kisuk

2017-05-22

The seemingly simple reaction of Li-O 2 batteries involving lithium and oxygen makes this chemistry attractive for high-energy-density storage systems; however, achieving this reaction in practical rechargeable Li-O 2 batteries has proven difficult. The reaction paths leading to the final Li 2 O 2 discharge products can be greatly affected by the operating conditions or environment, which often results in major side reactions. Recent research findings have begun to reveal how the reaction paths may be affected by the surrounding conditions and to uncover the factors contributing to the difficulty in achieving the reactions of lithium and oxygen. This progress report describes the current state of understanding of the electrode reaction mechanisms in Li-O 2 batteries; the factors that affect reaction pathways; and the effect of cell components such as solvents, salts, additives, and catalysts on the discharge product and its decomposition during charging. This comprehensive review of the recent progress in understanding the reaction chemistry of the Li-O 2 system will serve as guidelines for future research and aid in the development of reliable high-energy-density rechargeable Li-O 2 batteries.

NATO Advanced Study Institute on Fundamental and Technological Aspects of Organo-f-Element Chemistry

CERN Document Server

Fragalà, Ignazio

1985-01-01

The past decade has seen a dramatic acceleration of activity and interest in phenomena surrounding lanthanide and actinide organo­ metallic compounds. Around the world, active research in organo-f­ element synthesis, chemistry, catalysis, crystallography, and quantum chemistry is in progress. This activity has spanned a remarkably wide range of disciplines, from synthetic/mechanistic inorganic and organic chemistry to radiochemistry, catalytic chemistry, spectroscopy (vibra­ tional, optical, magnetic resonance, photoelectron, Mossbauer), X-ray and neutron diffraction structural analysis, as well as to crystal field and molecular orbital theoretical studies at the interface of chemistry and physics. These investigations have been motivated both by fundamental and applied goals. The evidence that f-element organo­ metallic compounds have unique chemical and physical properties which cannot be duplicated by organometallic compounds of d-block elements has suggested many new areas of endeavor and application....

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.

Green Chemistry; Sviluppo sostenibile. L'industria ha bisogno del contributo di tutti

Energy Technology Data Exchange (ETDEWEB)

Ingallina, P. [EniTecnologie SpA, San Donato Milanese, MI (Italy)

2001-02-01

Everyone acknowledges that chemistry is a key science in order to study and solve the problems of the environment: a successful arranging technological progress with environment protection is one of the main challenge of the next millennium. The Green Chemistry (or Sustainable Chemistry) represents the specific contribution that chemists can supply for an environmentally compatible development. [Italian] Fabrizio d'Adda, attualmente Presidente di EniChem e membro di Cefic (European Chemical Industry Council), ha aperto il seminario {sup T}he Greening of Chemistry{sup (}EniTecnologie - 31 Ottobre 2000) con un breve discorso. Ha espresso parole di fiducia riguardo al futuro dell'industria chimica, l'unica a suo giudizio, in grado di avviare un nuovo modello di sviluppo nel rispetto delle implicazioni ambientali, sociali ed economiche.

Recent advances in H-phosphonate chemistry. Part 1. H-phosphonate esters: synthesis and basic reactions.

Science.gov (United States)

Sobkowski, Michal; Kraszewski, Adam; Stawinski, Jacek

2015-01-01

This review covers recent progress in the preparation of H-phosphonate mono- and diesters, basic studies on mechanistic and stereochemical aspects of this class of phosphorus compounds, and their fundamental chemistry in terms of transformation of P-H bonds into P-heteroatom bonds. Selected recent applications of H-phosphonate derivatives in basic organic phosphorus chemistry and in the synthesis of biologically important phosphorus compounds are also discussed.

Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on

Science.gov (United States)

2011-01-01

Background The Blue Obelisk movement was established in 2005 as a response to the lack of Open Data, Open Standards and Open Source (ODOSOS) in chemistry. It aims to make it easier to carry out chemistry research by promoting interoperability between chemistry software, encouraging cooperation between Open Source developers, and developing community resources and Open Standards. Results This contribution looks back on the work carried out by the Blue Obelisk in the past 5 years and surveys progress and remaining challenges in the areas of Open Data, Open Standards, and Open Source in chemistry. Conclusions We show that the Blue Obelisk has been very successful in bringing together researchers and developers with common interests in ODOSOS, leading to development of many useful resources freely available to the chemistry community. PMID:21999342

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.'

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

Stochasticity in processes fundamentals and applications to chemistry and biology

CERN Document Server

Schuster, Peter

2016-01-01

This book has developed over the past fifteen years from a modern course on stochastic chemical kinetics for graduate students in physics, chemistry and biology. The first part presents a systematic collection of the mathematical background material needed to understand probability, statistics, and stochastic processes as a prerequisite for the increasingly challenging practical applications in chemistry and the life sciences examined in the second part. Recent advances in the development of new techniques and in the resolution of conventional experiments at nano-scales have been tremendous: today molecular spectroscopy can provide insights into processes down to scales at which current theories at the interface of physics, chemistry and the life sciences cannot be successful without a firm grasp of randomness and its sources. Routinely measured data is now sufficiently accurate to allow the direct recording of fluctuations. As a result, the sampling of data and the modeling of relevant processes are doomed t...

On being green: can flow chemistry help?

Science.gov (United States)

Ley, Steven V

2012-08-01

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

Presidential Green Chemistry Challenge: 2012 Greener Reaction Conditions Award

Science.gov (United States)

Presidential Green Chemistry Challenge 2012 award winner, Cytec Industries, developed the MAX HT sodalite scale inhibitor for heat exchangers and pipes in the Bayer process, which converts bauxite into alumina.

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...

The Relationship between Chemistry Self-Efficacy of South African First Year University Students and Their Academic Performance

Science.gov (United States)

Ramnarain, Umesh; Ramaila, Sam

2018-01-01

This study investigated the self-efficacy of first-year Chemistry students at a South African university. The research involved a quantitative survey of 333 students using the College Chemistry Self-Efficacy Scale (CCSS) developed by Uzuntiryaki and Capa Aydin (2009). Descriptive statistics on data for the CCSS scales suggested that students have…

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.

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.

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

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.

Radioanalytical Chemistry for Automated Nuclear Waste Process Monitoring

International Nuclear Information System (INIS)

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

2004-01-01

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

Studies of radiation and chemical toxicity. Progress report

International Nuclear Information System (INIS)

1986-01-01

Annual report for the Studies of Radiation and Chemical Toxicity Program at the University of Rochester is presented. Progress is reported on four projects: Neurobehavorial Toxicity of Organometallic Fuel Additives, Mechanisms of Permanent and Delayed Pathologic Effects of Ionizing Radiation, Solid State Radiation Chemistry of the DNA Backbone, and Pulmonary Biochemistry

Institute of Bioinorganic and Radiopharmaceutical Chemistry. Annual report 2000

International Nuclear Information System (INIS)

Johannsen, B.; Seifert, S.

2001-01-01

In 2000 the Rossendorf research centre continued and further developed its basic and application-oriented research. Research at the Institute of Bioinorganic and Radiopharmaceutical Chemistry, one of five institutes in the Research Centre, was focused on radiotracers as molecular probes to make the human body biochemically transparent with regard to individual molecular reactions. In this respect the potential for diagnostic application depends on the quality and versatility of radiopharmaceutical chemistry, which is the main discipline in our Institute. Areas in which the Institute was particularly active were the design of new radiotracers, both radiometal-based and natural organic molecules, the elaboration of radiolabelling concepts and procedures and the chemical and pharmacological evaluation of new tracers. This was complemented by more clinically oriented activities in the Positron Emission Tomography Centre Rossendorf. With numerous contributions in the fields of radiopharmaceutical chemistry, tumour agents, tumour diagnosis and brain biochemistry this Annual Report will document the scientific progress made in 2000. (orig.)

From transistor to trapped-ion computers for quantum chemistry.

Science.gov (United States)

Yung, M-H; Casanova, J; Mezzacapo, A; McClean, J; Lamata, L; Aspuru-Guzik, A; Solano, E

2014-01-07

Over the last few decades, quantum chemistry has progressed through the development of computational methods based on modern digital computers. However, these methods can hardly fulfill the exponentially-growing resource requirements when applied to large quantum systems. As pointed out by Feynman, this restriction is intrinsic to all computational models based on classical physics. Recently, the rapid advancement of trapped-ion technologies has opened new possibilities for quantum control and quantum simulations. Here, we present an efficient toolkit that exploits both the internal and motional degrees of freedom of trapped ions for solving problems in quantum chemistry, including molecular electronic structure, molecular dynamics, and vibronic coupling. We focus on applications that go beyond the capacity of classical computers, but may be realizable on state-of-the-art trapped-ion systems. These results allow us to envision a new paradigm of quantum chemistry that shifts from the current transistor to a near-future trapped-ion-based technology.

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

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

Proceedings of the DAE-BRNS theme meeting on recent trends in analytical chemistry: book of abstracts

International Nuclear Information System (INIS)

2012-01-01

Analytical chemistry is the branch of science that deals with the determination of the identity and concentration of various elements and compounds in different matrices including living systems. The practice of analytical chemistry as a distinct discipline possibly began in the late eighteenth century with the work of the French chemist Antoine-Laurent Lavoisier and his contemporaries. Further progress was made in the nineteenth century by scientists like Carl Fresenius and Karl Friedrich Mohr. Fresenius developed the qualitative analysis method and it formed the topic of the first textbook of analytical chemistry. He also developed the gravimetric technique. Mohr developed many laboratory analytical procedures and devices. Most of the major advances in analytical chemistry, as in many other branches of science, took place in the twentieth century after the Second World War. The demand for new and increasingly sophisticated analytical techniques for bio-medical, regulatory and strategic requirements, along with the progress in electro-mechanical instrumentation, automation and computerization, has opened up new challenges and opportunities for analytical chemists and allied scientists in the years to come. Papers relevant to INIS are indexed separately

Progress Report Oct to Dec 1975(2)

International Nuclear Information System (INIS)

1976-01-01

Progress report NO. 2 of Tehran Nuclear Research Centre outlines a brief description of the progress made in each section of the centre. A complete list of dissertations for Master's degrees studied at the Nuclear Research Centre and a list of new technical employee are given at the beginning of the report. Research activities in the third section include, isotope separation, laser research, radiation chemistry, reactor management, environmental research, neutron physics, reactor engineering, and nuclear medicine. The fourth section deals with education and training; technical support and health physics are discussed in sections five and six respectively

WORKSHOP ON NEW DEVELOPMENTS IN CHEMICAL SEPARATIONS FROM COMBINATORIAL CHEMISTRY AND RELATED SYNTHETIC STRATEGIES

Energy Technology Data Exchange (ETDEWEB)

Weber, Stephen G. [University of Pittsburgh, Pittsburgh, Pennsylvania

1998-08-22

The power of combinatorial chemistry and related high throughput synthetic strategies is currently being pursued as a fruitful way to develop molecules and materials with new properties. The strategy is motivated, for example in the pharmaceutical industry, by the difficulty of designing molecules to bind to specific sites on target biomolecules. By synthesizing a variety of similar structures, and then finding the one that has the most potent activity, new so-called lead structures will be found rapidly. Existing lead structures can be optimized. This relatively new approach has many implications for separation science. The most obvious is the call for more separations power: higher resolution, lower concentrations, higher speed. This pressure butresses the traditional directions of research into the development of more useful separations. The advent of chip-based, electroosmotically pumped systems1 will certainly accelerate progress in this traditional direction. The progress in combinatorial chemistry and related synthetic strategies gives rise to two other, broadly significant possibilities for large changes in separation science. One possibility results from the unique requirements of the synthesis of a huge number of products simultaneously. Can syntheses and separations be designed to work together to create strategies that lead to mixtures containing only desired products but without side products? The other possibility results from the need for molecular selectivity in separations. Can combinatorial syntheses and related strategies be used in the development of better separations media? A workshop in two parts was held. In one half-day session, pedagogical presentations educated across the barriers of discipline and scale. In the second half-day session, the participants broke into small groups to flesh out new ideas. A panel summarized the breakout discussions.

The synthesis of active pharmaceutical ingredients (APIs using continuous flow chemistry

Directory of Open Access Journals (Sweden)

Marcus Baumann

2015-07-01

Full Text Available The implementation of continuous flow processing as a key enabling technology has transformed the way we conduct chemistry and has expanded our synthetic capabilities. As a result many new preparative routes have been designed towards commercially relevant drug compounds achieving more efficient and reproducible manufacture. This review article aims to illustrate the holistic systems approach and diverse applications of flow chemistry to the preparation of pharmaceutically active molecules, demonstrating the value of this strategy towards every aspect ranging from synthesis, in-line analysis and purification to final formulation and tableting. Although this review will primarily concentrate on large scale continuous processing, additional selected syntheses using micro or meso-scaled flow reactors will be exemplified for key transformations and process control. It is hoped that the reader will gain an appreciation of the innovative technology and transformational nature that flow chemistry can leverage to an overall process.

The synthesis of active pharmaceutical ingredients (APIs) using continuous flow chemistry.

Science.gov (United States)

Baumann, Marcus; Baxendale, Ian R

2015-01-01

The implementation of continuous flow processing as a key enabling technology has transformed the way we conduct chemistry and has expanded our synthetic capabilities. As a result many new preparative routes have been designed towards commercially relevant drug compounds achieving more efficient and reproducible manufacture. This review article aims to illustrate the holistic systems approach and diverse applications of flow chemistry to the preparation of pharmaceutically active molecules, demonstrating the value of this strategy towards every aspect ranging from synthesis, in-line analysis and purification to final formulation and tableting. Although this review will primarily concentrate on large scale continuous processing, additional selected syntheses using micro or meso-scaled flow reactors will be exemplified for key transformations and process control. It is hoped that the reader will gain an appreciation of the innovative technology and transformational nature that flow chemistry can leverage to an overall process.

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.

The Medicinal Chemistry of Therapeutic Oligonucleotides.

Science.gov (United States)

Wan, W Brad; Seth, Punit P

2016-11-10

Oligonucleotide-based therapeutics have made rapid progress in the clinic for treatment of a variety of disease indications. Unmodified oligonucleotides are polyanionic macromolecules with poor drug-like properties. Over the past two decades, medicinal chemists have identified a number of chemical modification and conjugation strategies which can improve the nuclease stability, RNA-binding affinity, and pharmacokinetic properties of oligonucleotides for therapeutic applications. In this perspective, we present a summary of the most commonly used nucleobase, sugar and backbone modification, and conjugation strategies used in oligonucleotide medicinal chemistry.

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

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

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

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...

Description of load progression and pain response during progressive resistance training early after total hip arthroplasty

DEFF Research Database (Denmark)

Mikkelsen, Lone R; Petersen, Annemette K; Mechlenburg, Inger

2016-01-01

events during the initial four weeks of training. RESULTS: The majority of patients experienced only moderate hip pain during exercise (range in median across exercises and sessions: 5-35 mm Visual Analog Scale) and mild pain at rest (median: 1-18 mm Visual Analog Scale), both of which decreased over...... time ( p training load (67%-166 % across exercises, p training sessions, short term pain response (an increase >20 mm Visual Analog Scale) occurred in 13 patients in 24 training sessions. CONCLUSION: Progressive resistance......OBJECTIVE: To describe a progressive resistance training intervention implemented shortly after total hip arthroplasty, including a detailed description of load progression, pain response and adverse events to the training. DESIGN: Secondary analyses of data from the intervention group...

Laboratory Sequence in Computational Methods for Introductory Chemistry

Science.gov (United States)

Cody, Jason A.; Wiser, Dawn C.

2003-07-01

A four-exercise laboratory sequence for introductory chemistry integrating hands-on, student-centered experience with computer modeling has been designed and implemented. The progression builds from exploration of molecular shapes to intermolecular forces and the impact of those forces on chemical separations made with gas chromatography and distillation. The sequence ends with an exploration of molecular orbitals. The students use the computers as a tool; they build the molecules, submit the calculations, and interpret the results. Because of the construction of the sequence and its placement spanning the semester break, good laboratory notebook practices are reinforced and the continuity of course content and methods between semesters is emphasized. The inclusion of these techniques in the first year of chemistry has had a positive impact on student perceptions and student learning.

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.

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.

Primary processes and ionic reactions in the chemistry of recoiling silicon atoms

International Nuclear Information System (INIS)

Gaspar, P.P.; Garmestani, K.; Boo, B.H.; Stewart, G.W.

1993-01-01

Hot atom chemistry has permitted the elucidation of the chemistry of free atoms, and these include the polyvalent atoms of refractory group 14 elements, that is, carbon, silicon and germanium. Since no more than two bonds are formed normally in a single reactive collision of free atoms, the study on the chemistry of atoms like C, Si and Ge that require the formation of more than two bonds to saturate their chemical valence necessarily involves the study of reactive intermediates. By the studies on the chemistry of recoiling 31 Si atoms, the mechanistic conclusions reached are reported. The most important unanswered questions concerning the reaction of recoiling 31 Si atoms in the systems are shown, and progress has been made toward the answering. By using tetramethyl silane as a trapping agent for silicon ions, it has been established that the reaction of 31 Si ions contributes significantly to the formation of products in recoil systems. The studies by various researchers on this theme are reported. (K.I.)

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.

The ozone hole and the 1995 Nobel prize in chemistry; Trou d`ozone et Prix Nobel 1995 de chimie

Energy Technology Data Exchange (ETDEWEB)

Berger, A. [Universite Catholique de Louvain (UCL), Louvain-la-Neuve (Belgium). Inst. d`Astronomie et de Geophysique G. Lemaitre

1996-03-01

To mark to award of the 1995 Nobel Prize in chemistry to three world renowned atmospheric chemists, this paper recalls the history of scientific progress in stratospheric ozone chemistry. Then it summarizes current knowledge of ozone-layer depletion and its impact on climate, vegetation and human health. (author). 21 refs., 12 figs.

Degradation of Environmental Contaminants with Water-Soluble Cobalt Catalysts: An Integrative Inorganic Chemistry Investigation

Science.gov (United States)

Evans, Alexandra L.; Messersmith, Reid E.; Green, David B.; Fritsch, Joseph M.

2011-01-01

We present an integrative laboratory investigation incorporating skills from inorganic chemistry, analytical instrumentation, and physical chemistry applied to a laboratory-scale model of the environmental problem of chlorinated ethylenes in groundwater. Perchloroethylene (C[subscript 2]Cl[subscript 4], PCE) a common dry cleaning solvent,…

Attitude to the subject of chemistry in undergraduate nursing students at Fiji National University and Federation University, Australia.

Science.gov (United States)

Brown, Stephen; Wakeling, Lara; Peck, Blake; Naiker, Mani; Hill, Dolores; Naidu, Keshni

2015-01-01

Attitude to the subject of chemistry was quantified in first-year undergraduate nursing students, at two geographically distinct universities. A purpose-designed diagnostic instrument (ASCI) was given to students at Federation University, Australia (n= 114), and at Fiji National University, Fiji (n=160). Affective and cognitive sub-scales within ASCI showed reasonable internal consistency. Cronbach's alpha for the cognitive sub-scale was 0.786 and 0.630, and 0.787 and 0.788 for affective sub-scale for the Federation University and Fiji National University students, respectively. Mean (SD) score for the cognitive sub-scale was 10.5 (5.6) and 15.2 (4.1) for students at Federation University and Fiji National University, respectively (PFiji National University, respectively (P < 0.001, t-test). An exploratory factor analysis (n=274) confirmed a two-factor solution consistent with affective and cognitive sub-scales, each with good internal consistency. Quantifying attitude to chemistry in undergraduate nursing students using ASCI may have utility in assessing the impact of novel teaching strategies used in the education of nursing students in areas of bioscience and chemistry. However, geographically distinct populations of undergraduate nurses may show very different attitudes to chemistry.

From hot atom chemistry to epithermal chemistry

International Nuclear Information System (INIS)

Roessler, K.

2004-01-01

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

Mathematical Chemistry

OpenAIRE

Trinajstić, Nenad; Gutman, Ivan

2002-01-01

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

Chemistry in production of heavy water and industrial solvents

International Nuclear Information System (INIS)

Thomas, P.G.

2015-01-01

Industries are the temples of modern science built on the robust foundation of science and technology. The genesis of giant chemical industries is from small laboratories where the scientific thoughts are fused and transformed into innovative technologies Heavy water production is an energy intensive giant chemical industry where various hazardous and flammable chemicals are handled, extreme operating conditions are maintained and various complex chemical reactions are involved. Chemistry is the back bone to all chemical industrial activities and plays a lead role in heavy water production also. Heavy Water Board has now mastered the technology of design, construction, operation and maintenance of Heavy Water plants as well as fine tuning of the process make it more cost effective and environment friendly. Heavy Water Board has ventured into diversified activities intimately connected with our three stages of Nuclear Power Programme. Process development for the production of nuclear grade solvents for the front end and back end of our nuclear fuel cycle is one area where we have made significant contributions. Heavy Water Board has validated, modified and fine-tuned the synthesis routes for TBP, D2EHPA, TOPO, TAPO TIAP, DNPPA, D2EHPA-II, DHOA etc and these solvents were accepted by end users. Exclusive campaigns were carried out in laboratory scale, bench scale and pilot plant scale before scaling up to industrial scale. The process chemistry is understood very well and chemical parameters were monitored in every step of the synthesis. It is a continual improvement cycle where fine tuning is carried out for best quality and yield of product at lowest cost. In this presentation, an attempt is made to highlight the role of chemistry in the production of Heavy Water and industrial solvents

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.

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…

Viewpoint of defining the groundwater chemistry for the performance assessment on geological disposal of high level radioactive waste

International Nuclear Information System (INIS)

Sasamoto, Hiroshi; Yui, Mikazu

2000-01-01

This report presents the viewpoint of defining the groundwater chemistry for performance assessment of the second progress report for research and development on geological disposal. Based on the results of statistical analysis (binary scatter plots) of the measured data in addition to the consideration of the first progress report, we defined the five hypothetically modeled groundwaters considering the general geological conditions and importance for performance assessment. In order to evaluate the priority of groundwater chemistries, we have analyzed the above five hypothetical groundwaters by considering the results of multivariate statistical analyses, data reliability, evidence for geochemical controls on groundwater chemistry and exclusion criteria for potential repository sites in Japan. As a result, the fresh reducing high pH (FRHP) type groundwater has been selected for the Reference Case analysis, and the saline reducing high pH (SRHP) type groundwater has been selected for the Alternative Geological Environmental Case analysis, respectively. (author)

Applications of biocatalysis in fragrance chemistry: the enantiomers of alpha-, beta-, and gamma-irones.

Science.gov (United States)

Brenna, Elisabetta; Fuganti, Claudio; Serra, Stefano

2008-11-01

The history of iris extracts, and of the isolation and enzyme-mediated synthesis of their odoriferous principle, the "irones", will be used to describe the improvement brought about by chemistry and biocatalysis in the development of natural fragrances. In particular, this tutorial review will discuss how the progress in the field of enzyme chemistry allowed the optimisation of accelerated procedures for the preparation of natural irone extracts, and the synthesis of all the ten isomers of irone, starting from commercial irone alpha.

Aircraft Nuclear Propulsion Project Quarterly Progress Report for Period Ending December 31, 1956

Energy Technology Data Exchange (ETDEWEB)

NA, NA [ORNL

1957-03-12

This quarterly progress report of the Aircraft Nuclear Propulsion Project at ORNL records the technical progress of research on circulating-fuel reactors and other ANP research at the Laboratory. The report is divided into five major parts: 1) Aircraft Reactor Engineering, 2) Chemistry, and 3) Metallurgy, 4) Heat Transfer and Physical Properties, Radiation Damage, and Fuel Recovery and Reprocessing, and 5) Reactor Shielding.

Gas-cooled reactor programs. High-temperature gas-cooled reactor base-technology program progress report for July 1, 1975--December 31, 1976

International Nuclear Information System (INIS)

Homan, F.J.; Kasten, P.R.

1977-11-01

Progress is reported in the following areas: prestressed concrete pressure vessel development, structural materials, fission product technology, kernel migration and irradiated fuel chemistry, coolant chemistry (steam-graphite reactions), fuel qualification, and characterization and standardization of graphite

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.

A Flipped Classroom Redesign in General Chemistry

Science.gov (United States)

Reid, Scott A.

2016-01-01

The flipped classroom continues to attract significant attention in higher education. Building upon our recent parallel controlled study of the flipped classroom in a second-term general chemistry course ("J. Chem. Educ.," 2016, 93, 13-23), here we report on a redesign of the flipped course aimed at scaling up total enrollment while…

Advanced chemistry management system to optimize BWR chemistry control

International Nuclear Information System (INIS)

Maeda, K.; Nagasawa, K.

2002-01-01

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

Achieving biopolymer synergy in systems chemistry.

Science.gov (United States)

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

2018-05-31

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

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.

Collaboration and critical thinking in an online chemistry environment

Science.gov (United States)

Kershisnik, Elizabeth Irene

The purpose of this dissertation was to examine collaboration and student's critical thinking and cognitive achievement within online chemistry courses. This quantitative study focused on the apparent lack of research relating collaboration and critical thinking in online science courses. Collaboration was determined using the small group collaboration model coding scheme, which examined student postings in asynchronous discussion forums for quantity, equality, and shareness. Critical thinking was measured using the chemistry concept reasoning test, the online self-diagnostic test, and also asynchronous student homework discussion postings that were coded using the community of inquiry cognitive presence indicators. Finally cognitive achievement was determined using quiz scores and the student's final grade. Even though no significant findings were revealed in this exploratory quasi-experimental study, this research did add to the educational technology knowledge base since very few studies have investigated the chemistry discipline in an online environment. Continued research in this area is vital to understanding how critical thinking progresses, how it can be assessed, and what factors in the classroom, be it virtual or face-to-face, have the greatest effect on critical thinking.

Aquatic Chemistry

International Nuclear Information System (INIS)

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

1987-07-01

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

Combinatorial chemistry

DEFF Research Database (Denmark)

Nielsen, John

1994-01-01

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

Forensic Chemistry

Science.gov (United States)

Bell, Suzanne

2009-07-01

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

Perkin's Mauve: The History of the Chemistry

Indian Academy of Sciences (India)

account that little large scale chemical production was taking place, so the ... Perkin also mentions the method of dyeing the material with extra information on how to dye wool. .... the book Dye Makers of Great Britain published in 1987 [7]. ... Perkin's decision to leave the Royal College of Chemistry, Perkin wrote, “At this he.

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

OpenAIRE

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

2009-01-01

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

Network analysis reveals multiscale controls on streamwater chemistry

Science.gov (United States)

McGuire, Kevin J.; Torgersen, Christian E.; Likens, Gene E.; Buso, Donald C.; Lowe, Winsor H.; Bailey, Scott W.

2014-01-01

By coupling synoptic data from a basin-wide assessment of streamwater chemistry with network-based geostatistical analysis, we show that spatial processes differentially affect biogeochemical condition and pattern across a headwater stream network. We analyzed a high-resolution dataset consisting of 664 water samples collected every 100 m throughout 32 tributaries in an entire fifth-order stream network. These samples were analyzed for an exhaustive suite of chemical constituents. The fine grain and broad extent of this study design allowed us to quantify spatial patterns over a range of scales by using empirical semivariograms that explicitly incorporated network topology. Here, we show that spatial structure, as determined by the characteristic shape of the semivariograms, differed both among chemical constituents and by spatial relationship (flow-connected, flow-unconnected, or Euclidean). Spatial structure was apparent at either a single scale or at multiple nested scales, suggesting separate processes operating simultaneously within the stream network and surrounding terrestrial landscape. Expected patterns of spatial dependence for flow-connected relationships (e.g., increasing homogeneity with downstream distance) occurred for some chemical constituents (e.g., dissolved organic carbon, sulfate, and aluminum) but not for others (e.g., nitrate, sodium). By comparing semivariograms for the different chemical constituents and spatial relationships, we were able to separate effects on streamwater chemistry of (i) fine-scale versus broad-scale processes and (ii) in-stream processes versus landscape controls. These findings provide insight on the hierarchical scaling of local, longitudinal, and landscape processes that drive biogeochemical patterns in stream networks.

Network analysis reveals multiscale controls on streamwater chemistry.

Science.gov (United States)

McGuire, Kevin J; Torgersen, Christian E; Likens, Gene E; Buso, Donald C; Lowe, Winsor H; Bailey, Scott W

2014-05-13

By coupling synoptic data from a basin-wide assessment of streamwater chemistry with network-based geostatistical analysis, we show that spatial processes differentially affect biogeochemical condition and pattern across a headwater stream network. We analyzed a high-resolution dataset consisting of 664 water samples collected every 100 m throughout 32 tributaries in an entire fifth-order stream network. These samples were analyzed for an exhaustive suite of chemical constituents. The fine grain and broad extent of this study design allowed us to quantify spatial patterns over a range of scales by using empirical semivariograms that explicitly incorporated network topology. Here, we show that spatial structure, as determined by the characteristic shape of the semivariograms, differed both among chemical constituents and by spatial relationship (flow-connected, flow-unconnected, or Euclidean). Spatial structure was apparent at either a single scale or at multiple nested scales, suggesting separate processes operating simultaneously within the stream network and surrounding terrestrial landscape. Expected patterns of spatial dependence for flow-connected relationships (e.g., increasing homogeneity with downstream distance) occurred for some chemical constituents (e.g., dissolved organic carbon, sulfate, and aluminum) but not for others (e.g., nitrate, sodium). By comparing semivariograms for the different chemical constituents and spatial relationships, we were able to separate effects on streamwater chemistry of (i) fine-scale versus broad-scale processes and (ii) in-stream processes versus landscape controls. These findings provide insight on the hierarchical scaling of local, longitudinal, and landscape processes that drive biogeochemical patterns in stream networks.

Radiochemistry Division: annual progress report: 1987

International Nuclear Information System (INIS)

1989-01-01

The progress of Research and Development (R and D) activities during the year 1987 are reported in the form of summaries, which are presented under the headings (1) Actinide Chemistry, (2) Nuclear Chemistry, and (3) Spectroscopy. Microwave absorption studies of the high Tsub(c) oxide superconductor YBa 2 Cu 3 Osub(7-x) using electron paramagnetic resonance techniques are the new feature during the report year. Radioanalytical services and radiation sources in the form of electrodeposited sources or standard soluti ons were also given to the other Divisions, other units of the Department of Atomic Energy, and other organisations in the country. A list of papers by the members of the Division published in various journals and presented at various symposia, conferences etc. is given at the end of the report. (M.G.B.). refs., 51 tabs., 33 figs

Chemical and Analytical Sciences Division progress report for the period January 1, 1993--December 31, 1994

Energy Technology Data Exchange (ETDEWEB)

Poutsma, M.L.

1995-06-01

This report provides brief summaries of progress in the Chemical and Analytical Sciences Division (CASD) during 1993 and 1994. The first four chapters, which cover the research mission, are organized to mirror the major organizational units of the division and indicate the scope of the research portfolio. These divisions are the Analytical Spectroscopy Section, Nuclear and Radiochemistry Section, Organic Chemistry Section, and Physical and Materials Chemistry Section. The fifth and sixth chapters summarize the support activities within CASD that are critical for research progress. Finally, the appendices indicate the productivity and recognition of the staff in terms of various forms of external publications, professional activities, and awards.

State of the art report on iodine chemistry

International Nuclear Information System (INIS)

Clement, B.; Cantrel, L.; Ducros, G.; Funke, F.; Herranz, L.; Rydl, A.; Weber, G.; Wren, C.

2007-01-01

An accident in which the normal core cooling is lost could lead to fuel elements melting and fission product release beyond the plant limits. Nuclear power plants are designed with engineering systems and associated operational procedures which provide an in-depth defence against such accidents. Iodine is a major contributor to the potential source term to the environment, thus a good understanding of its behaviour and validated calculation tools are required to perform meaningful risk analyses and make decisions in the field of accident management, mitigation measures and emergency procedures. A number of experimental programmes, involving separate-effect and integral tests have been carried out during the last decade, providing new and valuable results that have improved our understanding of iodine phenomena. A modelling effort has also been pursued in order to encapsulate the acquired knowledge in the calculation tools prepared for predicting the iodine behaviour under severe accident conditions. In view of the progress made, the Working Group on Analysis and Management of Accidents (GAMA) considered the necessity of producing a status paper on iodine chemistry, with the following objectives: - to review insights gained and evaluate the progress made during the last 10 years on the understanding of phenomena governing iodine chemistry and release in the case of a reactor severe accident, - to evaluate the current status of iodine chemistry knowledge and tools used for source term prediction in connection with accident management and emergency planning, under various reactor conditions, to identify the remaining weaknesses, discuss the reactor safety relevance of these issues and make recommendations as necessary. This paper aims at shedding light on the present situation, helping end-users and decision makers to adequately address questions related to iodine behaviour under severe accident conditions, and to essential programmes of work in this area

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.

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

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

Mechanics over micro and nano scales

CERN Document Server

Chakraborty, Suman

2011-01-01

Discusses the fundaments of mechanics over micro and nano scales in a level accessible to multi-disciplinary researchers, with a balance of mathematical details and physical principles Covers life sciences and chemistry for use in emerging applications related to mechanics over small scales Demonstrates the explicit interconnection between various scale issues and the mechanics of miniaturized systems

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.

Commercial LFCM vitrification technology. Quarterly progress report, October-December 1984

Energy Technology Data Exchange (ETDEWEB)

Burkholder, H.C.; Jarrett, J.H. (comps.)

1985-07-01

This report is the first in a series of quarterly reports compiled by the Nuclear Waste Treatment Program Office at Pacific Northwest Laboratory to document progress on commercial liquid-fed ceramic melter (LFCM) vitrification technology. Progress in the following technical subject areas during the first quarter of FY 1985 is discussed: pretreatment systems, melting process chemistry, glass development and characterization, feed preparation and transfer systems, melter systems, canister filling and handling systems, off-gas systems, process/product modeling and control, and supporting studies. 33 figs., 12 tabs.

Non-thermally activated chemistry

International Nuclear Information System (INIS)

Stiller, W.

1987-01-01

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

Mars aqueous chemistry experiment

Science.gov (United States)

Clark, Benton C.; Mason, Larry W.

1994-06-01

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

Mars aqueous chemistry experiment

Science.gov (United States)

Clark, Benton C.; Mason, Larry W.

1994-01-01

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

The impact of Future Land Use and Land Cover Changes on Atmospheric Chemistry-Climate Interactions

NARCIS (Netherlands)

Ganzeveld, L.N.; Bouwman, L.

2010-01-01

To demonstrate potential future consequences of land cover and land use changes beyond those for physical climate and the carbon cycle, we present an analysis of large-scale impacts of land cover and land use changes on atmospheric chemistry using the chemistry-climate model EMAC (ECHAM5/MESSy

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...

Quarterly Progress Report (January 1 to March 31, 1950)

Energy Technology Data Exchange (ETDEWEB)

Brookhaven National Laboratory

1950-04-01

This is the first of a series of Quarterly Reports. These reports will deal primarily with the progress made in our scientific program during a three months period. Those interested in matters pertaining to organization, administration, complete scientific program, personnel and other matters not directly involved in current scientific progress are referred to our Annual Progress Report which is issued in January. We have attempted to describe new information that appears significant, or of interest, to other scientists within the Atomic Energy Commission Laboratories. No effort has been made, however, to detail progress in each and every research project. Little or no reference will therefore be found to the projects in which progress during the current period is considered too inconclusive. Since our organizational structure is departmental, the work described herein is arranged in the following sequence: (1) Accelerator Project; (2) Biology Department; (3) Chemistry Department; (4) Instrumentation and Health Physic8 Department; (5) Medical Department; (6) Physics Department; and (7) Reactor Science and Engineering Department.

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

International Nuclear Information System (INIS)

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

1988-01-01

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

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

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

International Nuclear Information System (INIS)

Uenak, T.

2009-01-01

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

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

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

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

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)

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

International Nuclear Information System (INIS)

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

1994-02-01

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

Pharmaceutical process chemistry: evolution of a contemporary data-rich laboratory environment.

Science.gov (United States)

Caron, Stéphane; Thomson, Nicholas M

2015-03-20

Over the past 20 years, the industrial laboratory environment has gone through a major transformation in the industrial process chemistry setting. In order to discover and develop robust and efficient syntheses and processes for a pharmaceutical portfolio with growing synthetic complexity and increased regulatory expectations, the round-bottom flask and other conventional equipment familiar to a traditional organic chemistry laboratory are being replaced. The new process chemistry laboratory fosters multidisciplinary collaborations by providing a suite of tools capable of delivering deeper process understanding through mechanistic insights and detailed kinetics translating to greater predictability at scale. This transformation is essential to the field of organic synthesis in order to promote excellence in quality, safety, speed, and cost efficiency in synthesis.

[Commentary on the Nobel Prize that has been granted in Medicine-Physiology, Chemistry and Physics to noteable investigators].

Science.gov (United States)

Zárate, Arturo; Apolinar, Leticia Manuel; Saucedo, Renata; Basurto, Lourdes

2015-01-01

The Nobel Prize was established by Alfred Nobel in 1901 to award people who have made outstanding achievements in physics, chemistry and medicine. So far, from 852 laureates, 45 have been female. Marie Curie was the first woman to receive the Nobel Prize in 1903 for physics and eight years later also for chemistry It is remarkable that her daughter Irene and her husband also received the Nobel Prize for chemistry in 1935. Other two married couples, Cori and Moser, have also been awarded the Nobel Prize. The present commentary attempts to show the female participation in the progress of scientific activities.

MELCOR/CONTAIN LMR Implementation Report - FY16 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)

2016-11-01

This report describes the progress of the CONTAIN - LMR sodium physics and chemistry models to be implemented in MELCOR 2.1. In the past three years , the implementation included the addition of sodium equations of state and sodium properties from two different sources. The first source is based on the previous work done by Idaho National Laboratory by modifying MELCOR to include liquid lithium equation of state as a working fluid to model the nuclear fusion safety research. The second source uses properties generated for the SIMMER code. The implemented modeling has been tested and results are reported in this document. In addition, the CONTAIN - LMR code was derived from an early version of the CONTAIN code, and many physical models that were developed since this early version of CONTAIN are not available in this early code version. Therefore, CONTAIN 2 has been updated with the sodium models in CONTAIN - LMR as CONTAIN2 - LMR, which may be used to provide code-to-code comparison with CONTAIN - LMR and MELCOR when the sodium chemistry models from CONTAIN - LMR have been completed. Both the spray fire and pool fire chemistry routines from CONTAIN - LMR have been integrated into MELCOR 2.1, and debugging and testing are in progress. Because MELCOR only models the equation of state for liquid and gas phases of the coolant, a modeling gap still exists when dealing with experiments or accident conditions that take place when the ambient temperature is below the freezing point of sodium. An alternative method is under investigation to overcome this gap . We are no longer working on the separate branch from the main branch of MELCOR 2.1 since the major modeling of MELCOR 2.1 has been completed. At the current stage, the newly implemented sodium chemistry models will be a part of the main MELCOR release version (MELCOR 2.2). This report will discuss the accomplishments and issues relating to the implementation. Also, we will report on the planned completion of all

The 1989 progress report: Polytechnic school laboratories' Direction

International Nuclear Information System (INIS)

1989-01-01

The 1989 progress report of the laboratories' Direction of the Polytechnic School (France) is presented. The research activities carried out in each laboratory are summarized. Scientific and technical cooperation, financial and employement aspects are included. The main fields of research are: biochemistry, chemistry, reaction mechanisms, organic synthesis, mechanics of solids, meteorology, irradiated solids, optics, physics, biophysics, lasers, mathematics, econometrics, epistemology, management and computer science [fr

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

Joint project final report, Task II: Sulfur chemistry, Task III: Nitrogen Chemistry[Straw fired power plants

Energy Technology Data Exchange (ETDEWEB)

Glarborg, P.; Lans, R. van der; Weigang, L.; Arendt Jensen, P.; Degn Jensen, A.; Dam-Johansen, K.

2001-09-01

It is the aim of the project to promote the use of biomass in the production of power and heat in Denmark as well as enhancing the technology base of the Danish industry within this area. The project involves, the following task areas: 1) Deposit Build-up; 2) Sulfur Chemistry; 3) Nitrogen Chemistry; and 4) Furnace Modeling. The present report covers the activities in task 2 and 3, which are carried out at Department of Chemical Engineering, DTU. Task 2: Sulfur chemistry: The lab-scale results show that the amount of sulfur released into the gas-phase increases at high temperatures. Other process parameters such as oxygen concentration have less impact. Little sulfur is apparently released during char oxidation. The experiments show that about 40% of the sulfur is released during pyrolysis at 400 {sup d}eg{sup .}C. At combustion conditions it was found that about 50% of the sulfur is released at 500{sup d}eg.{sup C}; above this temperature an almost linear correlation is found beteen sulfur release and combustion temperature up to 80-85% release at 950{sup d}eg.{sup C}. The experiments are in agreement with results from full scale straw fired grate boilers, indicating that only a small amount of fuel-sulfur is fixed in the bottom ash under typical operating conditions. The results are important in order to understand the varying emission levels observed in full-scala systems and provide guidelines for low SO{sub 2} operation. Task 3: Nitrogen chemistry: In the nitgrogen chemistry submodel volatile-N is released as NH{sub 3} and N{sub 2}. The ammonia can react further to N{sub 2} or NO. Char nitrogen is oxidized to NO, and the char bed acts as a catalyst for the reduction of NO to N{sub 2}. Predictions with the bed-model including the NO submodel indicate that when all volatile nitrogen is converted to NH{sub 3}, the concentrations og NH{sub 3} are significantly overpredicted. This means that either the NH{sub 3} reaction rates are underpredicted or that a smaller

Scientific Information Analysis of Chemistry Dissertations Using Thesaurus of Chemistry

Directory of Open Access Journals (Sweden)

Taghi Rajabi

2017-09-01

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

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.

Artificial Intelligence Support for Computational Chemistry

Science.gov (United States)

Duch, Wlodzislaw

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

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.

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)

Final Report - Low Temperature Combustion Chemistry And Fuel Component Interactions

Energy Technology Data Exchange (ETDEWEB)

Wooldridge, Margaret [Univ. of Michigan, Ann Arbor, MI (United States)

2017-02-24

Recent research into combustion chemistry has shown that reactions at “low temperatures” (700 – 1100 K) have a dramatic influence on ignition and combustion of fuels in virtually every practical combustion system. A powerful class of laboratory-scale experimental facilities that can focus on fuel chemistry in this temperature range is the rapid compression facility (RCF), which has proven to be a versatile tool to examine the details of fuel chemistry in this important regime. An RCF was used in this project to advance our understanding of low temperature chemistry of important fuel compounds. We show how factors including fuel molecular structure, the presence of unsaturated C=C bonds, and the presence of alkyl ester groups influence fuel auto-ignition and produce variable amounts of negative temperature coefficient behavior of fuel ignition. We report new discoveries of synergistic ignition interactions between alkane and alcohol fuels, with both experimental and kinetic modeling studies of these complex interactions. The results of this project quantify the effects of molecular structure on combustion chemistry including carbon bond saturation, through low temperature experimental studies of esters, alkanes, alkenes, and alcohols.

Radiation chemistry in solvent extraction: FY2010 Research

International Nuclear Information System (INIS)

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

2010-01-01

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

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

OpenAIRE

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

2012-01-01

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

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

Science.gov (United States)

Ojima, Iwao

2013-07-05

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

Nuclear chemistry

International Nuclear Information System (INIS)

Vertes, A.; Kiss, I.

1987-01-01

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

Nuclear chemistry

International Nuclear Information System (INIS)

Vertes, A.; Kiss, I.

1987-01-01

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

Multi-Scale Modelling of the Gamma Radiolysis of Nitrate Solutions

OpenAIRE

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

2016-01-01

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

AFCT/TFCT/ISFS Program. Technical progress report for the period April 1, 1978--June 30, 1978

Energy Technology Data Exchange (ETDEWEB)

Hill, O.F. (comp.)

1978-08-01

This is the tenth in a series of quarterly progress reports on studies performed for the Alternate Fuel Cycle Technologies/Thorium Fuel Cycle Technologies/International Spent Fuel Receipt and Storage (AFCT/TFCT/ISFS) Program. This program provides information needed by industry to close the back end of the power reactor fuel cycle. During the past quarter, studies were conducted in the following tasks: thorium resource price analyses; spent fuel receipt and storage; investigation of air cleaning processes for removing TBP from off-gas streams; study of iodine chemistry in process solutions, high-level waste treatment; electropolishing to decontaminate metallic waste from alternate and thorium converter fuel cycles; U.S. scale transport, dispersion and removal model comparison; safety criticality experiments; and criticality research in support of thorium fuel cycle.

AFCT/TFCT/ISFS Program. Technical progress report for the period October 1, 1977--December 31, 1977

Energy Technology Data Exchange (ETDEWEB)

Hill, O.F. (comp.)

1978-02-01

This is the eighth in a series of quarterly progress reports on studies performed for the Alternate Fuel Cycle Technologies/Thorium Fuel Cycle Technologies/International Spent Fuel Receipt and Storage (AFCT/TFCT/ISFS) Program, formerly the LWR Fuel Recycle Program. This program is designed to provide information needed by industry to close the back end of the power reactor fuel cycle. During the past quarter, studies were conducted in the following tasks: Survey of Current Technology of Fuel Handling Techniques; Investigation of Air Cleaning Processes for Removing Tributyl Phosphate (TBP) from Off-Gas Streams; Study of Iodine Chemistry in Process Solutions; Electropolishing to Decontaminate Metallic Waste from Alternate and Thorium Converter Fuel Cycles; and U.S. Scale Transport, Dispersion and Removal Mode Comparison Safety Criticality Experiments. (11 figs., 7 tables)

Transactinide nuclear chemistry at JAERI

International Nuclear Information System (INIS)

Nagame, Y.; Haba, H.; Tsukada, K.

2002-01-01

Nuclear chemistry study of trans actinide elements in Japan is currently being in progress at JAERI (Japan Atomic Energy Research Institute). We have developed new experimental apparatuses: a beam-line safety system for the usage of the gas-jet coupled radioactive 248 Cm target chamber, a rotating wheel catcher apparatus for the measurement of α and spontaneous fission decay of the transactinides, MANON (Measurement system for Alpha particles and spontaneous fission events ON line), and an automated rapid chemical separation apparatus based on the high performance liquid chromatography, AIDA (Automated Ion exchange separation system coupled with the Detection apparatus for Alpha spectroscopy). The transactinide nuclei, 261 Rf and 262 Db, have been successfully produced via the reactions of 248 Cm( 18 O,5n) and 248 Cm( 19 F,5n), respectively, and the excitation functions for each reaction have been measured to evaluate the optimum irradiation condition for the production of these nuclei. The maximum cross sections in each reaction were 13 nb at the 18 O beam energy of 94-MeV and 1.5 Nb at the 103-MeV 19 F beam energy. On-line ion exchange experiments of Rf together with the lighter homologues Zr and Hf in the HCl, HNO 3 and HF solutions with AIDA have been carried out, and the results clearly show that the behavior of Rf is typical of the group-4 element. Relativistic molecular orbital calculations of the chloride and nitrate complexes of tetravalent Rf are also being performed to gain an understanding of the complex chemistry. Prospects and some recent experimental results for the nuclear chemistry study of the transactinide elements at JAERI are discussed. (author)

Gas-Cooled Reactor Programs annual progress report for period ending December 31, 1973

International Nuclear Information System (INIS)

Kasten, P.R.; Coobs, J.H.; Lotts, A.L.

1976-04-01

Progress is summarized in studies relating to HTGR fuel reprocessing, refabrication, and recycle; HTGR fuel materials development and performance testing; HTGR PCRV development; HTGR materials investigations; HTGR fuel chemistry; HTGR safety studies; and GCFR irradiation experiments and steam generator modeling

Analytical Chemistry as Methodology in Modern Pure and Applied Chemistry

OpenAIRE

Honjo, Takaharu

2001-01-01

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

Fundamentals of nuclear chemistry

International Nuclear Information System (INIS)

Majer, K.

1982-01-01

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

Reaction studies of hot silicon and germanium radicals. Progress report, September 1, 1978-August 31, 1979

International Nuclear Information System (INIS)

Gaspar, P.P.

1979-01-01

The experimental approach to attaining the goals of this research program is briefly outlined and the progress made in the last year is reviewed in sections entitled: (a) Primary steps in the reaction of recoiling silicon and germanium atoms and the identification of reactive intermediates; (b) Thermally induced silylene and germylene reactions; (c) Silicon free radical chemistry; (d) The role of ionic reactions in the chemistry of recoiling silicon atoms

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

Novel polymeric phosphonate scale inhibitors for improved squeeze treatment lifetimes

Energy Technology Data Exchange (ETDEWEB)

Jackson, G.E.; Poynton, N.; McLaughlin, K.; Clark, D.R.

1996-12-31

New patented chemistry has provided an exciting discovery which may be used to reduce costs in scale squeeze applications. Phosphomethylated polyamines (PMPAs) have been found to possess outstanding adsorption-desorption properties which generate long squeeze lifetimes. This paper describes the core-flood tests and modelling work, which highlight these properties, plus additional scale inhibition performance studies to demonstrate the all-round capabilities of this chemistry for squeeze treatments. An example of a PMPA is used to show the extremely viable adsorption and desorption isotherms. These illustrate the efficient way in which the desorption occurs to minimise the chemical in the returns with a benefit of reduced chemical content in the discharge. The PMPA also demonstrates that both polymer and phosphonate properties can be embraced in a single product (e.g. dual scale control mechanisms) confirming that this chemistry is a true polymeric phosphonate. 13 refs., 12 figs., 1 tab.

The 1989 progress report: applied optics

International Nuclear Information System (INIS)

Antonetti, A.

1989-01-01

The 1989 progress report of the laboratory of Applied Optics of the Polytechnic School (France) is presented. The research programs are carried out in the following fields: Ultrafast Physics, including the development of femtoseconds laser sources and their utilization in Physics, Biology and Physical Chemistry; physics of infrared lasers and their applications in space and industries; Guided Optics, including investigations and construction of fiber optics couplers; biomedical studies on muscle mechanics and laser applications. The published papers, the conferences and the Laboratory staff are listed [fr

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

International Nuclear Information System (INIS)

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

2014-01-01

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

Consistent descriptions of metal–ligand bonds and spin-crossover in inorganic chemistry

DEFF Research Database (Denmark)

Kepp, Kasper Planeta

2013-01-01

-scale DFT studies of inorganic systems in catalysis and bioinorganic chemistry rely directly on the ability to balance correlation effects in the involved bonds across the s-, p-, and d-blocks. This review concerns recent efforts to describe such bonds accurately and consistently across the s-, p-, and d......-blocks. Physical effects and ingredients in functionals, their systematic errors, and approaches to deal with them are discussed, in order to identify broadly applicable methods for inorganic chemistry....

The Interaction Effects of Gender and Grade Level on Secondary School Students' Attitude towards Learning Chemistry

Science.gov (United States)

Heng, Chua Kah; Karpudewan, Mageswary

2015-01-01

This quantitative study reports the effects of gender and grade level on secondary students' attitude towards chemistry lessons. For this purpose, the Attitude towards Chemistry Lessons Scale (ATCLS) was administered to 446 secondary school students between 16-19 years old. The ATCLS consists of four different subscales: liking for chemistry…

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.

Frontiers in Atmospheric Chemistry Modelling

Science.gov (United States)

Colette, Augustin; Bessagnet, Bertrand; Meleux, Frederik; Rouïl, Laurence

2013-04-01

The first pan-European kilometre-scale atmospheric chemistry simulation is introduced. The continental-scale air pollution episode of January 2009 is modelled with the CHIMERE offline chemistry-transport model with a massive grid of 2 million horizontal points, performed on 2000 CPU of a high performance computing system hosted by the Research and Technology Computing Center at the French Alternative Energies and Atomic Energy Commission (CCRT/CEA). Besides the technical challenge, which demonstrated the robustness of the selected air quality model, we discuss the added value in terms of air pollution modelling and decision support. The comparison with in-situ observations shows that model biases are significantly improved despite some spurious added spatial variability attributed to shortcomings in the emission downscaling process and coarse resolution of the meteorological fields. The increased spatial resolution is clearly beneficial for the detection of exceedances and exposure modelling. We reveal small scale air pollution patterns that highlight the contribution of city plumes to background air pollution levels. Up to a factor 5 underestimation of the fraction of population exposed to detrimental levels of pollution can be obtained with a coarse simulation if subgrid scale correction such as urban increments are ignored. This experiment opens new perspectives for environmental decision making. After two decades of efforts to reduce air pollutant emissions across Europe, the challenge is now to find the optimal trade-off between national and local air quality management strategies. While the first approach is based on sectoral strategies and energy policies, the later builds upon new alternatives such as urban development. The strategies, the decision pathways and the involvement of individual citizen differ, and a compromise based on cost and efficiency must be found. We illustrated how high performance computing in atmospheric science can contribute to this

Technetium chemistry

International Nuclear Information System (INIS)

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

1996-01-01

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

Chemistry {ampersand} Materials Science program report, Weapons Resarch and Development and Laboratory Directed Research and Development FY96

Energy Technology Data Exchange (ETDEWEB)

Chase, L.

1997-03-01

This report is the annual progress report for the Chemistry Materials Science Program: Weapons Research and Development and Laboratory Directed Research and Development. Twenty-one projects are described separately by their principal investigators.

Chemistry of Technetium

International Nuclear Information System (INIS)

Omori, Takashi

2001-01-01

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

Evaluating Student Motivation in Organic Chemistry Courses: Moving from a Lecture-Based to a Flipped Approach with Peer-Led Team Learning

Science.gov (United States)

Liu, Yujuan; Raker, Jeffrey R.; Lewis, Jennifer E.

2018-01-01

Academic Motivation Scale-Chemistry (AMS-Chemistry), an instrument based on the self-determination theory, was used to evaluate students' motivation in two organic chemistry courses, where one course was primarily lecture-based and the other implemented flipped classroom and peer-led team learning (Flip-PLTL) pedagogies. Descriptive statistics…

Radioelement studies in the oceans. Progress report, April 15, 1981-April 14, 1982

International Nuclear Information System (INIS)

Bowen, V.T.; Livingston, H.D.; Cochran, J.K.; Sholkovitz, E.R.; Hess, M.R.

1981-11-01

Progress for the report period is reported under the following section headings: bibliographic summary - 1981; cruise reports and sampling activities; abstracts of reports published, submitted, or presented at meetings; and, brief summaries of work in progress. Research in progress includes the following studies: post-depositional chemistry of radionuclides: interstitial water composition and laboratory remobilizaton studies; thorium isotope studies in seawater; radionuclide measurements on samples from ocean weather ship MIKE, in the Norwegian Sea; counting technique optimization for Cs isotopes collected by chemisorption; Pu oxidation states in the Aleutian Trench water column; intercalibrations and standard materials; and radionuclides in deep water bathypelagic biota

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

International Nuclear Information System (INIS)

Ribnikar, S.; Anic, S.

1998-01-01

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

Mathematical challenges from theoretical/computational chemistry

Energy Technology Data Exchange (ETDEWEB)

NONE

1995-12-31

The committee believes that this report has relevance and potentially valuable suggestions for a wide range of readers. Target audiences include: graduate departments in the mathematical and chemical sciences; federal and private agencies that fund research in the mathematical and chemical sciences; selected industrial and government research and development laboratories; developers of software and hardware for computational chemistry; and selected individual researchers. Chapter 2 of this report covers some history of computational chemistry for the nonspecialist, while Chapter 3 illustrates the fruits of some past successful cross-fertilization between mathematical scientists and computational/theoretical chemists. In Chapter 4 the committee has assembled a representative, but not exhaustive, survey of research opportunities. Most of these are descriptions of important open problems in computational/theoretical chemistry that could gain much from the efforts of innovative mathematical scientists, written so as to be accessible introductions to the nonspecialist. Chapter 5 is an assessment, necessarily subjective, of cultural differences that must be overcome if collaborative work is to be encouraged between the mathematical and the chemical communities. Finally, the report ends with a brief list of conclusions and recommendations that, if followed, could promote accelerated progress at this interface. Recognizing that bothersome language issues can inhibit prospects for collaborative research at the interface between distinctive disciplines, the committee has attempted throughout to maintain an accessible style, in part by using illustrative boxes, and has included at the end of the report a glossary of technical terms that may be familiar to only a subset of the target audiences listed above.

Annual progress report of the Department of Solid State Physics 1 January -31 December 1994

International Nuclear Information System (INIS)

Lindgaard, P.-A.; Bechgaard, K.; Clausen, K.N.; Feidenhans'l, R.; Johannsen, I.

1995-01-01

Research in the department is concerned with 'Materials with Distinct Physical and Chemical Properties'. The principal activities of the department in the period from 1 January to 31 December, 1994, are presented in this Progress Report. Neutron and x-ray diffraction techniques are used to study a wide variety of problems in condensed matter physics and include: two- and three-dimensional structures, magnetic ordering, heavy fermions, high T c superconductivity, phase transitions in model systems, precipitation phenomena, and nano-scale structures in various materials. 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. Related to these problems there is work going on in theory, Monte Carlo simulations, and methods of data analysis. (au) (3 tabs., 116 ills., 181 refs.)

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

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)

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.

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.

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

More Chemistry with Light! More Light in Chemistry!

Science.gov (United States)

Bach, Thorsten

2015-09-21

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

Medicinal Chemistry/Pharmacology in Sophomore Organic Chemistry.

Science.gov (United States)

Harrison, Aline M.

1989-01-01

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

The Chemistry of iodine in reactor safety: summary and conclusions: OECD Workshop

International Nuclear Information System (INIS)

1996-01-01

About seventy experts from fourteen OECD member countries attended this Fourth OECD Workshop on the chemistry of iodine in reactor safety, as well as experts from Latvia and the Commission of the European Communities. Thirty four papers were presented, in five sessions: national and international programmes (integral and intermediate-scale experiments), experimental homogeneous phase chemistry, surface processes, thermodynamic and kinetic studies, safety applications. A final session is devoted to a general discussion on remaining research studies relevant to reactor safety

Characterization of a boreal convective boundary layer and its impact on atmospheric chemistry during HUMPPA-COPEC-2010

Directory of Open Access Journals (Sweden)

H. G. Ouwersloot

2012-10-01

Full Text Available We studied the atmospheric boundary layer (ABL dynamics and the impact on atmospheric chemistry during the HUMPPA-COPEC-2010 campaign. We used vertical profiles of potential temperature and specific moisture, obtained from 132 radio soundings, to determine the main boundary layer characteristics during the campaign. We propose a classification according to several main ABL prototypes. Further, we performed a case study of a single day, focusing on the convective boundary layer, to analyse the influence of the dynamics on the chemical evolution of the ABL. We used a mixed layer model, initialized and constrained by observations. In particular, we investigated the role of large scale atmospheric dynamics (subsidence and advection on the ABL development and the evolution of chemical species concentrations. We find that, if the large scale forcings are taken into account, the ABL dynamics are represented satisfactorily. Subsequently, we studied the impact of mixing with a residual layer aloft during the morning transition on atmospheric chemistry. The time evolution of NO_x and O₃ concentrations, including morning peaks, can be explained and accurately simulated by incorporating the transition of the ABL dynamics from night to day. We demonstrate the importance of the ABL height evolution for the representation of atmospheric chemistry. Our findings underscore the need to couple the dynamics and chemistry at different spatial scales (from turbulence to mesoscale in chemistry-transport models and in the interpretation of observational data.

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

International Nuclear Information System (INIS)

Bursik, A.

2005-01-01

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

Chemistry

International Nuclear Information System (INIS)

Ferris, L.M.

1975-01-01

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

Chemical Transfer (Single Small-Scale) Facility

Data.gov (United States)

Federal Laboratory Consortium — Description/History: Chemistry laboratoryThe Chemical Transfer Facility (CTF)  is the only U.S. single small-scale  facility, a single repository for the Army’s...

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.

Recent progress on DNA based walkers.

Science.gov (United States)

Pan, Jing; Li, Feiran; Cha, Tae-Gon; Chen, Haorong; Choi, Jong Hyun

2015-08-01

DNA based synthetic molecular walkers are reminiscent of biological protein motors. They are powered by hybridization with fuel strands, environment induced conformational transitions, and covalent chemistry of oligonucleotides. Recent developments in experimental techniques enable direct observation of individual walkers with high temporal and spatial resolution. The functionalities of state-of-the-art DNA walker systems can thus be analyzed for various applications. Herein we review recent progress on DNA walker principles and characterization methods, and evaluate various aspects of their functions for future applications. Copyright © 2014 Elsevier Ltd. All rights reserved.

Investigating the Effectiveness of Computer Simulations for Chemistry Learning

Science.gov (United States)

Plass, Jan L.; Milne, Catherine; Homer, Bruce D.; Schwartz, Ruth N.; Hayward, Elizabeth O.; Jordan, Trace; Verkuilen, Jay; Ng, Florrie; Wang, Yan; Barrientos, Juan

2012-01-01

Are well-designed computer simulations an effective tool to support student understanding of complex concepts in chemistry when integrated into high school science classrooms? We investigated scaling up the use of a sequence of simulations of kinetic molecular theory and associated topics of diffusion, gas laws, and phase change, which we designed…

Enhancing resistance to burnout via coolant chemistry

Energy Technology Data Exchange (ETDEWEB)

Tu, J. P.; Dinh, T. N.; Theofanous, T. G. [Univ. of California, Santa Barbara (United States)

2003-07-01

Boiling Crisis (BC) on horizontal, upwards-facing copper and steel surfaces under the influence of various coolant chemistries relevant to reactor containment waters is considered. In addition to Boric Acid (BA) and TriSodium Phosphate (TSP), pure De-Ionized Water (DIW) and Tap Water (TW) are included in experiments carried out in the BETA facility. The results are related to a companion paper on the large scale ULPU facility.

Green Chemistry at the present in Korea.

Science.gov (United States)

Lee, Seung-Kyu; Park, Hyeon-Soo

2015-01-01

Despite the great contribution made by chemical substances to the development of modern civilization, their indiscriminate use has caused various kinds of damage to the global environment and human beings. Accordingly, the major developed countries and international society have tried to ensure the safe use of chemicals and a reduction in the use of hazardous chemicals through the establishment of the United Nations Environment Programme and various international agreements. In this reason, we tried to introduce about Green Chemistry progress at the present in worldwide and Korea. We checked and analyzed relative journals, reports using keyword as like Green Chemistry, alternative chemicals, eco-friendly etc. and major country's government homepage search. Green Chemistry theory, which argues for the reduction or removal of harmfulness in chemicals throughout their entire life-cycle, has been spreading, and major developed countries, such as the US and Denmark, have developed and operate programs to provide reliable chemical information to help replace hazardous chemicals. Korea has also been conducting studies as like eco-innovation project. Through this project the "Alternative Chemical Search program," has been developed, distributed, and operated since 2011 to provide reliable information to small and medium-sized businesses that have difficulties collecting information to ensure conformity to international regulations. The program provides information that includes the regulations of major countries and Korea, information on 340 alternative chemicals, 70 application cases, and 1:1 consulting. The Alternative Chemical Search program is expected to contribute to the establishment of response systems for regulation of Korean small and medium-sized businesses, and it also will be used to provide basic data for Korean hazardous chemical regulation, together with the Act on the Registration and Evaluation, etc. of Chemical Substances and the Chemical Control act

Radiochemistry Division: annual progress report for 1980

International Nuclear Information System (INIS)

Jayadevan, N.C.; Manohar, S.B.

1982-01-01

The research and development (R and D) activities of the Radiochemistry Division of the Bhabha Atomic Research Centre (BARC), Bombay, during 1980 are reported in the form of individual summaries under the headings: reactor chemistry, heavy element chemistry, process chemistry (of actinides), nuclear chemistry and instrumentation. Some of the highlights of the R and D activities are: (1) setting up of the facilities for the prepa.ration of (U,Pu)O 2 microspheres by sot-gel process on laboratory scale, (2) studies on synergistic extraction of Am, Cm, Bk, Cf, Th(IV), Np(IV) and Pu(IV) with mixtures of TTA and oxodonor6s like TBP, (3) kinetics of radiation induced oxidation of Pu(IV) and that of reduction of Pu(VII), (4) determination of fission yields of 138 Xe, 139 Cs, 252 Cf and 229 Th, (5) measuring of gamma ray abundance of 229 Th and isotopic ratios in thorium and plutonium and (6) design and fabrication of an osmistor for the determination of the molecular weight of actinide complexes. A list of papers published in journals and papers presented at conference/symposia during the year is also given. (M.G.B.)

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

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

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.

Cochlear Damage Affects Neurotransmitter Chemistry in the Central Auditory System

Directory of Open Access Journals (Sweden)

Donald Albert Godfrey

2014-11-01

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

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.

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.

Students' perception of an integrated approach of teaching entire sequence of medicinal chemistry, pharmacology, and pharmacotherapeutics courses in PharmD curriculum.

Science.gov (United States)

Islam, Mohammed A; Schweiger, Teresa A

2015-04-01

To develop an integrated approach of teaching medicinal chemistry, pharmacology, and pharmacotherapeutics and to evaluate students' perceptions of integration as they progress through the PharmD curriculum. Instructors from each discipline jointly mapped the course contents and sequenced the course delivery based on organ systems/disease states. Medicinal chemistry and pharmacology contents were integrated and aligned with respective pharmacotherapeutics contents to deliver throughout second and third year of the curriculum. In addition to classroom lectures, active learning strategies such as recitation, case studies, online-discussion boards, open book quizzes, and writing patient progress notes were incorporated to enhance student learning. Student learning was assessed by examination scores, patient progress notes, and writing assignments. The impact of course integration was evaluated by a Web-based survey. One hundred and sixty-nine students completed the survey. Students exhibited positive attitude toward the integrated approach of teaching medicinal chemistry, pharmacology, and therapeutics. The P3 and P4 students better appreciated the benefits of integration compared to P2 students (P < .05). Students perceived the course integration as an effective way of learning. This study supports course improvement and the viability of expanding the concept of integration to other courses in the curriculum. © The Author(s) 2014.

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

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

Synthetic Approach to biomolecular science by cyborg supramolecular chemistry.

Science.gov (United States)

Kurihara, Kensuke; Matsuo, Muneyuki; Yamaguchi, Takumi; Sato, Sota

2018-02-01

To imitate the essence of living systems via synthetic chemistry approaches has been attempted. With the progress in supramolecular chemistry, it has become possible to synthesize molecules of a size and complexity close to those of biomacromolecules. Recently, the combination of precisely designed supramolecules with biomolecules has generated structural platforms for designing and creating unique molecular systems. Bridging between synthetic chemistry and biomolecular science is also developing methodologies for the creation of artificial cellular systems. This paper provides an overview of the recently expanding interdisciplinary research to fuse artificial molecules with biomolecules, that can deepen our understanding of the dynamical ordering of biomolecules. Using bottom-up approaches based on the precise chemical design, synthesis and hybridization of artificial molecules with biological materials have been realizing the construction of sophisticated platforms having the fundamental functions of living systems. The effective hybrid, molecular cyborg, approaches enable not only the establishment of dynamic systems mimicking nature and thus well-defined models for biophysical understanding, but also the creation of those with highly advanced, integrated functions. This article is part of a Special Issue entitled "Biophysical Exploration of Dynamical Ordering of Biomolecular Systems" edited by Dr. Koichi Kato. Copyright © 2017 Elsevier B.V. All rights reserved.

Analytical chemistry instrumentation

International Nuclear Information System (INIS)

Laing, W.R.

1986-01-01

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

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

Science.gov (United States)

Kubiatko, Milan

2015-01-01

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

LFCM [liquid-fed ceramic melter] vitrification technology: Quarterly progress report, January--March 1987

International Nuclear Information System (INIS)

Brouns, R. A.; Allen, C. R.; Powell, J. A.

1988-05-01

This report is compiled by the Nuclear Waste Treatment Program and the Hanford Waste Vitrification Program at Pacific Northwest Laboratory to describe the progress in developing, testing, applying and documenting liquid-fed ceramic melter vitrification technology. Progress in the following technical subject areas during the second quarter of FY 1987 is discussed: melting process chemistry and glass development, feed preparation and transfer systems, melter systems, canister filling and handling systems, and process/product modeling. 23 refs., 14 figs., 10 tabs

Towards "Bildung"-Oriented Chemistry Education

Science.gov (United States)

Sjöström, Jesper

2013-01-01

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

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

Analytical Chemistry in the Regulatory Science of Medical Devices.

Science.gov (United States)

Wang, Yi; Guan, Allan; Wickramasekara, Samanthi; Phillips, K Scott

2018-06-12

In the United States, regulatory science is the science of developing new tools, standards, and approaches to assess the safety, efficacy, quality, and performance of all Food and Drug Administration-regulated products. Good regulatory science facilitates consumer access to innovative medical devices that are safe and effective throughout the Total Product Life Cycle (TPLC). Because the need to measure things is fundamental to the regulatory science of medical devices, analytical chemistry plays an important role, contributing to medical device technology in two ways: It can be an integral part of an innovative medical device (e.g., diagnostic devices), and it can be used to support medical device development throughout the TPLC. In this review, we focus on analytical chemistry as a tool for the regulatory science of medical devices. We highlight recent progress in companion diagnostics, medical devices on chips for preclinical testing, mass spectrometry for postmarket monitoring, and detection/characterization of bacterial biofilm to prevent infections.

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.

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

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

Science.gov (United States)

Garcia, Carmen Alicia

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

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

Science.gov (United States)

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

2016-01-01

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

Radiation chemistry in solvent extraction: FY2010 Research

Energy Technology Data Exchange (ETDEWEB)

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

2010-09-01

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

Green Chemistry Pedagogy

Science.gov (United States)

Kolopajlo, Larry

2017-02-01

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

Transuranic Computational Chemistry.

Science.gov (United States)

Kaltsoyannis, Nikolas

2018-02-26

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

Ask the experts: the challenges and benefits of flow chemistry to optimize drug development.

Science.gov (United States)

Anderson, Neal; Gernaey, Krist V; Jamison, Timothy F; Kircher, Manfred; Wiles, Charlotte; Leadbeater, Nicholas E; Sandford, Graham; Richardson, Paul

2012-09-01

Against a backdrop of a struggling economic and regulatory climate, pharmaceutical companies have recently been forced to develop new ways to provide more efficient technology to meet the demands of a competitive drug industry. This issue, coupled with an increase in patent legislation and a rising generics market, makes these themes common issues in the growth of drug development. As a consequence, the importance of process chemistry and scale-up has never been more under the spotlight. Future Medicinal Chemistry wishes to share the thoughts and opinions of a variety of experts from this field, discussing issues concerning the use of flow chemistry to optimize drug development, the potential regulatory and environmental challenges faced with this, and whether the academic and industrial sectors could benefit from a more harmonized system relevant to process chemistry.

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

International Nuclear Information System (INIS)

Delegard, C.H.

1995-05-01

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

Chemistry Notes

Science.gov (United States)

School Science Review, 1976

1976-01-01

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

Fundamentals of nuclear chemistry

International Nuclear Information System (INIS)

Matel, L.; Dulanska, S.

2013-01-01

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

From laboratory manipulations to Earth system models: scaling calcification impacts of ocean acidification

Directory of Open Access Journals (Sweden)

J. R. Young

2009-11-01

Full Text Available The observed variation in the calcification responses of coccolithophores to changes in carbonate chemistry paints a highly incoherent picture, particularly for the most commonly cultured "species", Emiliania huxleyi. The disparity between magnitude and potentially even sign of the calcification change under simulated end-of-century ocean surface chemical changes (higher pCO₂, lower pH and carbonate saturation, raises challenges to quantifying future carbon cycle impacts and feedbacks because it introduces significant uncertainty in parameterizations used for global models. Here we compile the results of coccolithophore carbonate chemistry manipulation experiments and review how ocean carbon cycle models have attempted to bridge the gap from experiments to global impacts. Although we can rule out methodological differences in how carbonate chemistry is altered as introducing an experimental bias, the absence of a consistent calcification response implies that model parameterizations based on small and differing subsets of experimental observations will lead to varying estimates for the global carbon cycle impacts of ocean acidification. We highlight two pertinent observations that might help: (1 the degree of coccolith calcification varies substantially, both between species and within species across different genotypes, and (2 the calcification response across mesocosm and shipboard incubations has so-far been found to be relatively consistent. By analogy to descriptions of plankton growth rate vs. temperature, such as the "Eppley curve", which seek to encapsulate the net community response via progressive assemblage change rather than the response of any single species, we posit that progressive future ocean acidification may drive a transition in dominance from more to less heavily calcified coccolithophores. Assemblage shift may be more important to integrated community calcification response than species

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.

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...