Chemistry in aircraft plumes

Energy Technology Data Exchange (ETDEWEB)

Kraabol, A G; Stordal, F; Knudsen, S [Norwegian Inst. for Air Research, Kjeller (Norway); Konopka, P [Deutsche Forschungsanstalt fuer Luft- und Raumfahrt e.V. (DLR), Wessling (Germany). Inst. fuer Physik der Atmosphaere

1998-12-31

An expanding plume model with chemistry has been used to study the chemical conversion of NO{sub x} to reservoir species in aircraft plumes. The heterogeneous conversion of N{sub 2}O{sub 5} to HNO{sub 3}(s) has been investigated when the emissions take place during night-time. The plume from an B747 has been simulated. During a ten-hour calculation the most important reservoir species was HNO{sub 3} for emissions at noon. The heterogeneous reactions had little impact on the chemical loss of NO{sub x} to reservoir species for emissions at night. (author) 4 refs.

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.

Selective Oxidations using Nanostructured Heterogeneous Catalysts

DEFF Research Database (Denmark)

Mielby, Jerrik Jørgen

and because they produce H2O as the only by-product. Chapter 1 gives a short introduction to basic concepts in heterogeneous catalysis and green chemistry. Furthermore, the chapter gives an overview of the most important strategies to synthesise functional nanostructured materials and highlights how detailed......The aim of this thesis is to investigate and develop new efficient methods to oxidise alcohols and amines using heterogeneous catalysts and either O2 or H2O2 as oxidants. From an economic and environmental point of view, these oxidants are ideal, because they are cheap and readily available...... understanding of size, shape and structure can help in the development of new and more efficient heterogeneous catalysts. The chapter is not intended to give a complete survey, but rather to introduce some of the recent developments in the synthesis of nanostructured heterogeneous catalysts. Finally...

Advances in Research on the Venom Chemistry of Imported Fire Ants

Science.gov (United States)

Workers of the imported fire ants, including red imported fire ants, Solenopsis invicta Buren, black imported fire ants, S. richteri Forel, and their hybrid (S. invicta × S. richteri), are vicious stingers. Since the venomous sting is a significant medical problem to humans, the chemistry of import...

Heterogenous phase as a mean in combinatorial chemistry

International Nuclear Information System (INIS)

Abdel-Hamid, S.G.

2007-01-01

Combinatorial chemistry is a rapid and inexpensive technique for the synthesis of hundreds of thousands of organic compounds of potential medicinal activity. In the past few decades a large number of combinatorial libraries have been constructed, and significantly supplement the chemical diversity of the traditional collections of the potentially active medicinal compounds. Solid phase synthesis was used to enrich the combinatorial chemistry libraries, through the use of solid supports (resins) and their modified forms. Most of the new libraries of compounds appeared recently, were synthesized by the use of solid-phase. Solid-phase combinatorial chemistry (SPCC) is now considered as an outstanding branch in pharmaceutical chemistry research and used extensively as a tool for drug discovery within the context of high-throughput chemical synthesis. The best pure libraries synthesized by the use of solid phase combinatorial chemistry (SPCC) may well be those of intermediate complexity that are free of artifact-causing nuisance compounds. (author)

New trends and developments in radiation chemistry

International Nuclear Information System (INIS)

1989-10-01

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

Molecular ingredients of heterogeneous catalysis

International Nuclear Information System (INIS)

Somorjai, G.A.

1982-06-01

The purpose of this paper is to present a review and status report to those in theoretical chemistry of the rapidly developing surface science of heterogeneous catalysis. The art of catalysis is developing into science. This profound change provides one with opportunities not only to understand the molecular ingredients of important catalytic systems but also to develop new and improved catalyst. The participation of theorists to find answers to important questions is sorely needed for the sound development of the field. It is the authors hope that some of the outstanding problems of heterogeneous catalysis that are identified in this paper will be investigated. For this purpose the paper is divided into several sections. The brief Introduction to the methodology and recent results of the surface science of heterogeneous catalysis is followed by a review of the concepts of heterogeneous catalysis. Then, the experimental results that identified the three molecular ingredients of catalysis, structure, carbonaceous deposit and the oxidation state of surface atoms are described. Each section is closed with a summary and a list of problems that require theoretical and experimental scrutiny. Finally attempts to build new catalyst systems and the theoretical and experimental problems that appeared in the course of this research are described

Molecular ingredients of heterogeneous catalysis

Energy Technology Data Exchange (ETDEWEB)

Somorjai, G.A.

1982-06-01

The purpose of this paper is to present a review and status report to those in theoretical chemistry of the rapidly developing surface science of heterogeneous catalysis. The art of catalysis is developing into science. This profound change provides one with opportunities not only to understand the molecular ingredients of important catalytic systems but also to develop new and improved catalyst. The participation of theorists to find answers to important questions is sorely needed for the sound development of the field. It is the authors hope that some of the outstanding problems of heterogeneous catalysis that are identified in this paper will be investigated. For this purpose the paper is divided into several sections. The brief Introduction to the methodology and recent results of the surface science of heterogeneous catalysis is followed by a review of the concepts of heterogeneous catalysis. Then, the experimental results that identified the three molecular ingredients of catalysis, structure, carbonaceous deposit and the oxidation state of surface atoms are described. Each section is closed with a summary and a list of problems that require theoretical and experimental scrutiny. Finally attempts to build new catalyst systems and the theoretical and experimental problems that appeared in the course of this research are described.

The Importance of Undergraduate General and Organic Chemistry to the Study of Biochemistry in Medical School.

Science.gov (United States)

Scimone, Anthony; Scimone, Angelina A.

1996-01-01

Investigates chemistry topics necessary to facilitate the study of biochemistry in U.S. medical schools. Lists topics considered especially important and topics considered especially unimportant in general chemistry and organic chemistry. Suggests that in teaching undergraduate general or organic chemistry, the topics categorized as exceptionally…

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

Enzymes - important players in green chemistry

Directory of Open Access Journals (Sweden)

Agata Tarczykowska

2017-09-01

Full Text Available Green chemistry has become a worldwide approach that leads to sustainable growth through application and development of its principles. A lot of work has to be put into designing new processes comprising of materials which do not emit pollutants to the atmosphere. Inventing new safer methods and finding less harmful products can be challenging. Enzymes are a great hope of scientists in the field of green chemistry. Enzymes as catalysts require mild conditions therefore it is a great way of saving resources such as energy or water. Processes with the use of enzymes have become more feasible by being more cost effective and eco friendly. Taking into account the benefits of green chemistry, enzyme biocatalysis has quickly replaced traditional chemical processes in several fields, and this substitution is going to reach even more areas because of new emerging technologies in enzyme engineering.

Chemistry, spectroscopy and the role of supported vanadium oxides in heterogeneous catalysis

NARCIS (Netherlands)

Weckhuysen, B.M.; Keller, D.E.

2003-01-01

Supported vanadium oxide catalysts are active in a wide range of applications. In this review, an overview is given of the current knowledge available about vanadium oxide-based catalysts. The review starts with the importance of vanadium in heterogeneous catalysis, a discussion of the molecular

Ion binding by humic and fulvic acids: A computational procedure based on functional site heterogeneity and the physical chemistry of polyelectrolyte solutions

International Nuclear Information System (INIS)

Marinsky, J.A.; Reddy, M.M.; Ephraim, J.; Mathuthu, A.

1988-04-01

Ion binding equilibria for humic and fulvic acids are examined from the point of view of functional site heterogeneity and the physical chemistry of polyelectrolyte solutions. A detailed explanation of the potentiometric properties of synthetic polyelectrolytes and ion-exchange gels is presented first to provide the basis for a parallel consideration of the potentiometric properties exhibited by humic and fulvic acids. The treatment is then extended to account for functional site heterogeneity. Sample results are presented for analysis of the ion-binding reactions of a standard soil fulvic acid (Armadale Horizons Bh) with this approach to test its capability for anticipation of metal ion removal from solution. The ultimate refined model is shown to be adaptable, after appropriate consideration of the heterogeneity and polyelectrolyte factors, to programming already available for the consideration of ion binding by inorganics in natural waters. (orig.)

Analysis of Students’ Missed Organic Chemistry Quiz Questions that Stress the Importance of Prior General Chemistry Knowledge

OpenAIRE

Julie Ealy

2018-01-01

A concern about students’ conceptual difficulties in organic chemistry prompted this study. It was found that prior knowledge from general chemistry was critical in organic chemistry, but what were some of the concepts that comprised that prior knowledge? Therefore an analysis of four years of organic chemistry quiz data was undertaken. Multiple general chemistry concepts were revealed that are essential prior knowledge in organic chemistry. The general chemistry concepts that were foun...

Heterogeneous Nucleation and Growth of Nanoparticles at Environmental Interfaces.

Science.gov (United States)

Jun, Young-Shin; Kim, Doyoon; Neil, Chelsea W

2016-09-20

Mineral nucleation is a phase transformation of aqueous components to solids with an accompanying creation of new surfaces. In this evolutional, yet elusive, process, nuclei often form at environmental interfaces, which provide remarkably reactive sites for heterogeneous nucleation and growth. Naturally occurring nucleation processes significantly contribute to the biogeochemical cycles of important components in the Earth's crust, such as iron and manganese oxide minerals and calcium carbonate. However, in recent decades, these cycles have been significantly altered by anthropogenic activities, which affect the aqueous chemistry and equilibrium of both surface and subsurface systems. These alterations can trigger the dissolution of existing minerals and formation of new nanoparticles (i.e., nucleation and growth) and consequently change the porosity and permeability of geomedia in subsurface environments. Newly formed nanoparticles can also actively interact with components in natural and engineered aquatic systems, including those posing a significant hazard such as arsenic. These interactions can bilaterally influence the fate and transport of both newly formed nanoparticles and aqueous components. Due to their importance in natural and engineered processes, heterogeneous nucleation at environmental interfaces has started to receive more attention. However, a lack of time-resolved in situ analyses makes the evaluation of heterogeneous nucleation challenging because the physicochemical properties of both the nuclei and surfaces significantly and dynamically change with time and aqueous chemistry. This Account reviews our in situ kinetic studies of the heterogeneous nucleation and growth behaviors of iron(III) (hydr)oxide, calcium carbonate, and manganese (hydr)oxide minerals in aqueous systems. In particular, we utilized simultaneous small-angle and grazing incidence small-angle X-ray scattering (SAXS/GISAXS) to investigate in situ and in real-time the effects of

Green chemistry by nano-catalysis

KAUST Repository

Polshettiwar, Vivek

2010-01-01

Nano-materials are important in many diverse areas, from basic research to various applications in electronics, biochemical sensors, catalysis and energy. They have emerged as sustainable alternatives to conventional materials, as robust high surface area heterogeneous catalysts and catalyst supports. The nano-sized particles increase the exposed surface area of the active component of the catalyst, thereby enhancing the contact between reactants and catalyst dramatically and mimicking the homogeneous catalysts. This review focuses on the use of nano-catalysis for green chemistry development including the strategy of using microwave heating with nano-catalysis in benign aqueous reaction media which offers an extraordinary synergistic effect with greater potential than these three components in isolation. To illustrate the proof-of-concept of this "green and sustainable" approach, representative examples are discussed in this article. © 2010 The Royal Society of Chemistry.

Heterogeneous continuous-time random walks

Science.gov (United States)

Grebenkov, Denis S.; Tupikina, Liubov

2018-01-01

We introduce a heterogeneous continuous-time random walk (HCTRW) model as a versatile analytical formalism for studying and modeling diffusion processes in heterogeneous structures, such as porous or disordered media, multiscale or crowded environments, weighted graphs or networks. We derive the exact form of the propagator and investigate the effects of spatiotemporal heterogeneities onto the diffusive dynamics via the spectral properties of the generalized transition matrix. In particular, we show how the distribution of first-passage times changes due to local and global heterogeneities of the medium. The HCTRW formalism offers a unified mathematical language to address various diffusion-reaction problems, with numerous applications in material sciences, physics, chemistry, biology, and social sciences.

Heterogeneous catalysis: on bathroom mirrors and boiling stones

NARCIS (Netherlands)

Philipse, A.P.

2011-01-01

A catalyst is defined as a substance that accelerates a process without undergoing a net change due to that process. Most chemistry students learn about catalysts in the context of chemical reactions, such as the enzymes in biochemistry or the heterogeneous metal catalysts in inorganic chemistry (1,

Solid state radiation chemistry. Features important in basic research and applications

International Nuclear Information System (INIS)

Zagorski, Z.P.

1998-01-01

The basic research of chemical radiation effects has been mostly proceeded in aqueous systems. When one turns from aqueous to the 'dry solute' systems, reactions are running in a very different way. The examined compound, previously the solute, becomes then the only constituent of the system, absorbing all ionising energy. Majority of dosimeters and of radiation processed systems is solid: these are crystalline or rigid substances of high viscosity, sometimes of complicated phase-compositions being no longer homogenous like liquids. Main features of the solid (and rigid) state radiation chemistry is to be discussed in five parts: I. Character of absorption process. Absorption of radiation is in all media heterogenous on the molecular level, i.e. with formation of single- and multi-ionisation spurs. The yield of the latters is 15-25% of the total ionisations, depending on the system, even at low LET radiation. In spite of random distribution of initial ionisations, the single-ionisation spurs can turn rapidly into specifically arranged, temporal localisations. The variety of spur reactions is usually more complicated than that in aqueous systems. II. Character of transients. Intermediates in solid state radiation chemistry exhibit very different transport properties: from free electrons moving fast and far, to electrons changing the position by different physicochemical mechanisms, to easy movable H-atoms, and to practically unmovable, only vibrating, new fragments of a lattice or glass. III. Paramagnetic intermediates. Radicals living for microseconds in liquids, when created and trapped in a solid matrix are usually very stable, e.g. they can have a difference of half-life times of 12 orders of magnitude, however their chemical composition remais identical. (author)

Advances in electron transfer chemistry

CERN Document Server

Mariano, Patrick S

1993-01-01

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

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

Energy Technology Data Exchange (ETDEWEB)

Janardhanan, V.

2007-07-01

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

Heterogeneity of activated carbons in adsorption of aniline from aqueous solutions

Science.gov (United States)

Podkościelny, P.; László, K.

2007-08-01

The heterogeneity of activated carbons (ACs) prepared from different precursors is investigated on the basis of adsorption isotherms of aniline from dilute aqueous solutions at various pH values. The APET carbon prepared from polyethyleneterephthalate (PET), as well as, commercial ACP carbon prepared from peat were used. Besides, to investigate the influence of carbon surface chemistry, the adsorption was studied on modified carbons based on ACP carbon. Its various oxygen surface groups were changed by both nitric acid and thermal treatments. The Dubinin-Astakhov (DA) equation and Langmuir-Freundlich (LF) one have been used to model the phenomenon of aniline adsorption from aqueous solutions on heterogeneous carbon surfaces. Adsorption-energy distribution (AED) functions have been calculated by using an algorithm based on a regularization method. Analysis of these functions for activated carbons studied provides important comparative information about their surface heterogeneity.

Magnetic resonance imaging of chemistry.

Science.gov (United States)

Britton, Melanie M

2010-11-01

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

An empirical analysis of the importance of controlling for unobserved heterogeneity when estimating the income-mortality gradient

Directory of Open Access Journals (Sweden)

Adriaan Kalwij

2014-10-01

Full Text Available Background: Statistical theory predicts that failing to control for unobserved heterogeneity in a Gompertz mortality risk model attenuates the estimated income-mortality gradient toward zero. Objective: I assess the empirical importance of controlling for unobserved heterogeneity in a Gompertz mortality risk model when estimating the income-mortality gradient. The analysis is carried out using individual-level administrative data from the Netherlands over the period 1996-2012. Methods: I estimate a Gompertz mortality risk model in which unobserved heterogeneity has a gamma distribution and left-truncation of life durations is explicitly taken into account. Results: I find that, despite a strong and significant presence of unobserved heterogeneity in both the male and female samples, failure to control for unobserved heterogeneity yields only a small and insignificant attenuation bias in the negative income-mortality gradient. Conclusions: The main finding, a small and insignificant attenuation bias in the negative income-mortality gradient when failing to control for unobserved heterogeneity, is positive news for the many empirical studies, whose estimations of the income-mortality gradient ignore unobserved heterogeneity.

Importance of nuclear power for chemistry

International Nuclear Information System (INIS)

Kolotyrkin, J.

1982-01-01

Examples are given of the use of ionizing radiations in nuclear chemistry, in radiation cross-linking of polymers. The possibilities are also indicated of applications in the disinfection of wastes, in fertilizer production and packaging, in the production of cellulose and hydrogen. The implementation of the said technologies depends on the solution of a number organizational problems. (J.B.)

Spectral force analysis using atomic force microscopy reveals the importance of surface heterogeneity in bacterial and colloid adhesion to engineered surfaces.

Science.gov (United States)

Ma, Huilian; Winslow, Charles J; Logan, Bruce E

2008-04-01

Coatings developed to reduce biofouling of engineered surfaces do not always perform as expected based on their native properties. One reason is that a relatively small number of highly adhesive sites, or the heterogeneity of the coated surface, may control the overall response of the system to initial bacterial deposition. It is shown here using an approach we call spectral force analysis (SFA), based on force volume imaging of the surface with atomic force microscopy, that the behavior of surfaces and coatings can be better understood relative to bacterial adhesion. The application of vapor deposited TiO(2) metal oxide increased bacterial and colloid adhesion, but coating the surface with silica oxide reduced adhesion in a manner consistent with SFA based on analysis of the "stickiest" sites. Application of a TiO(2)-based paint to a surface produced a relatively non-fouling surface. Addition of a hydrophilic layer coating to this surface should have decreased fouling. However, it was observed that this coating actually increased fouling. Using SFA it was shown that the reason for the increased adhesion of bacteria and particles to the hydrophilic layer was that the surface produced by this coating was highly heterogeneous, resulting in a small number of sites that created a stickier surface. These results show that while it is important to manufacture surfaces with coatings that are relatively non-adhesive to bacteria, it is also essential that these coatings have a highly uniform surface chemistry.

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

The Importance of Medicinal Chemistry Knowledge in the Clinical Pharmacist's Education.

Science.gov (United States)

Fernandes, João Paulo S

2018-03-01

Objective. To show why medicinal chemistry must be a key component of the education of pharmacy students, as well as in the pharmacist's practice. Findings. Five case reports were selected by their clinically relevant elements of medicinal chemistry and were explained using structure-activity relationship data of the drugs involved in the case easily obtained from primary literature and in medicinal chemistry textbooks. Summary. This paper demonstrates how critical clinical decisions can be addressed using medicinal chemistry knowledge. While such knowledge may not explain all clinical decisions, medicinal chemistry concepts are essential for the education of pharmacy students to explain drug action in general and clinical decisions.

Gas-surface interactions and heterogeneous chemistry on interstellar grains analogues

Directory of Open Access Journals (Sweden)

Cazaux S.

2012-01-01

Full Text Available Detailed laboratory studies and progress in surface science technique, have allowed in recent years the first experimental confirmation of surface reaction schemes, as introduced by Tielens, Hagen and Charnley [1,2]. In this paper, we review few heterogeneous processes which give routes to form elementary molecules considered as precursors for explaining the variety and richness of molecular species in the interstellar medium. Adsorption, diffusion and reaction processes are discussed. With emphasis on the experimental approaches, but also supported by theoretical developments, progresses in the understanding of the “catalytic role” of a dust grain surface in various physical conditions are described. Recent advances made on few important species (H2, H2O, CH3OH are used to illustrate basic properties and raise open questions.

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)

Industrial applications of radiation chemistry

International Nuclear Information System (INIS)

Puig, Jean Rene

1959-01-01

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

Impact of aircraft emissions on the atmospheric chemistry

Energy Technology Data Exchange (ETDEWEB)

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

1998-12-31

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

Impact of aircraft emissions on the atmospheric chemistry

Energy Technology Data Exchange (ETDEWEB)

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

1997-12-31

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

Nitric oxide reduction in coal combustion: role of char surface complexes in heterogeneous reactions.

Science.gov (United States)

Arenillas, Ana; Rubiera, Fernando; Pis, José J

2002-12-15

Nitrogen oxides are one of the major environmental problems arising from fossil fuel combustion. Coal char is relatively rich in nitrogen, and so this is an important source of nitrogen oxides during coal combustion. However, due to its carbonaceous nature, char can also reduce NO through heterogeneous reduction. The objectives of this work were on one hand to compare NO emissions from coal combustion in two different types of equipment and on the other hand to study the influence of char surface chemistry on NO reduction. A series of combustion tests were carried out in two different scale devices: a thermogravimetric analyzer coupled to a mass spectrometer and an FTIR (TG-MS-FTIR) and a fluidized bed reactor with an on line battery of analyzers. The TG-MS-FTIR system was also used to perform a specific study on NO heterogeneous reduction reactions using chars with different surface chemistry. According to the results obtained, it can be said that the TG-MS-FTIR system provides valuable information about NO heterogeneous reduction and it can give good trends of the behavior in other combustion equipments (i.e., fluidized bed combustors). It has been also pointed out that NO-char interaction depends to a large extent on temperature. In the low-temperature range (800 degrees C), a different mechanism is involved in NO heterogeneous reduction, the nature of the carbon matrix being a key factor.

Bibliography of Work on the Heterogeneous Photocatalytic Removal of Hazardous Compounds from Water

Energy Technology Data Exchange (ETDEWEB)

Blake, D. M.

1999-07-29

The subject of this report is chemistry and engineering for the application of heterogeneous photocatalysts. The state of the art in catalysts are forms of titanium dioxide or modifications thereof, but work on other heterogeneous catalysts is included.

Interfacial mechanisms of heterogeneous Fenton reactions catalyzed by iron-based materials: A review.

Science.gov (United States)

He, Jie; Yang, Xiaofang; Men, Bin; Wang, Dongsheng

2016-01-01

The heterogeneous Fenton reaction can generate highly reactive hydroxyl radicals (OH) from reactions between recyclable solid catalysts and H2O2 at acidic or even circumneutral pH. Hence, it can effectively oxidize refractory organics in water or soils and has become a promising environmentally friendly treatment technology. Due to the complex reaction system, the mechanism behind heterogeneous Fenton reactions remains unresolved but fascinating, and is crucial for understanding Fenton chemistry and the development and application of efficient heterogeneous Fenton technologies. Iron-based materials usually possess high catalytic activity, low cost, negligible toxicity and easy recovery, and are a superior type of heterogeneous Fenton catalysts. Therefore, this article reviews the fundamental but important interfacial mechanisms of heterogeneous Fenton reactions catalyzed by iron-based materials. OH, hydroperoxyl radicals/superoxide anions (HO2/O2(-)) and high-valent iron are the three main types of reactive oxygen species (ROS), with different oxidation reactivity and selectivity. Based on the mechanisms of ROS generation, the interfacial mechanisms of heterogeneous Fenton systems can be classified as the homogeneous Fenton mechanism induced by surface-leached iron, the heterogeneous catalysis mechanism, and the heterogeneous reaction-induced homogeneous mechanism. Different heterogeneous Fenton systems catalyzed by characteristic iron-based materials are comprehensively reviewed. Finally, related future research directions are also suggested. Copyright © 2015. Published by Elsevier B.V.

Catalysis by Design: Well-Defined Single-Site Heterogeneous Catalysts

KAUST Repository

Pelletier, Jeremie

2016-03-09

ConspectusHeterogeneous catalysis, a field important industrially and scientifically, is increasingly seeking and refining strategies to render itself more predictable. The main issue is due to the nature and the population of catalytically active sites. Their number is generally low to very low, their "acid strengths" or " redox properties" are not homogeneous, and the material may display related yet inactive sites on the same material. In many heterogeneous catalysts, the discovery of a structure-activity reationship is at best challenging. One possible solution is to generate single-site catalysts in which most, if not all, of the sites are structurally identical. Within this context and using the right tools, the catalyst structure can be designed and well-defined, to reach a molecular understanding. It is then feasible to understand the structure-activity relationship and to develop predictable heterogeneous catalysis. Single-site well-defined heterogeneous catalysts can be prepared using concepts and tools of surface organometallic chemistry (SOMC). This approach operates by reacting organometallic compounds with surfaces of highly divided oxides (or of metal nanoparticles). This strategy has a solid track record to reveal structure-activity relationship to the extent that it is becoming now quite predictable. Almost all elements of the periodical table have been grafted on surfaces of oxides (from simple oxides such as silica or alumina to more sophisticated materials regarding composition or porosity).Considering catalytic hydrocarbon transformations, heterogeneous catalysis outcome may now be predicted based on existing mechanistic proposals and the rules of molecular chemistry (organometallic, organic) associated with some concepts of surface sciences. A thorough characterization of the grafted metal centers must be carried out using tools spanning from molecular organometallic or surface chemistry. By selection of the metal, its ligand set, and the

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.)

Does Everyone's Motivational Beliefs about Physical Science Decline in Secondary School?: Heterogeneity of Adolescents' Achievement Motivation Trajectories in Physics and Chemistry.

Science.gov (United States)

Wang, Ming-Te; Chow, Angela; Degol, Jessica Lauren; Eccles, Jacquelynne Sue

2017-08-01

Students' motivational beliefs about learning physical science are critical for achieving positive educational outcomes. In this study, we incorporated expectancy-value theory to capture the heterogeneity of adolescents' motivational trajectories in physics and chemistry from seventh to twelfth grade and linked these trajectories to science-related outcomes. We used a cross-sequential design based on three different cohorts of adolescents (N = 699; 51.5 % female; 95 % European American; M ages for youngest, middle, and oldest cohorts at the first wave = 13.2, 14.1, and 15.3 years) coming from ten public secondary schools. Although many studies claim that physical science motivation declines on average over time, we identified seven differential motivational trajectories of ability self-concept and task values, and found associations of these trajectories with science achievement, advanced science course taking, and science career aspirations. Adolescents' ability self-concept and task values in physics and chemistry were also positively related and interlinked over time. Examining how students' motivational beliefs about physical science develop in secondary school offers insight into the capacity of different groups of students to successfully adapt to their changing educational environments.

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.

Heterogeneous membranes filled with hypercrosslinked microparticle adsorbent

Czech Academy of Sciences Publication Activity Database

Hradil, Jiří; Krystl, V.; Hrabánek, P.; Bernauer, B.; Kočiřík, Milan

2005-01-01

Roč. 65, 1-2 (2005), s. 57-68 ISSN 1381-5148 R&D Projects: GA ČR GA104/03/0680 Institutional research plan: CEZ:AV0Z40500505 Keywords : heterogeneous membranes * hypercrosslinked adsorbent * microparticle s Subject RIV: CD - Macromolecular Chemistry Impact factor: 1.565, year: 2005

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)

Silica sulfuric acid: a versatile and reusable heterogeneous catalyst ...

African Journals Online (AJOL)

... and reusable heterogeneous catalyst for the synthesis of N-acyl carbamates and ... All the reactions were done at room temperature and the N-acyl carbamates ... This method is attractive and is in a close agreement with green chemistry.

Flavones: an important scaffold for medicinal chemistry.

Science.gov (United States)

Singh, Manjinder; Kaur, Maninder; Silakari, Om

2014-09-12

Flavones have antioxidant, anti-proliferative, anti-tumor, anti-microbial, estrogenic, acetyl cholinesterase, anti-inflammatory activities and are also used in cancer, cardiovascular disease, neurodegenerative disorders, etc. Also, flavonoids are found to have an effect on several mammalian enzymes like protein kinases that regulate multiple cell signaling pathways and alterations in multiple cellular signaling pathways are frequently found in many diseases. Flavones have been an indispensable anchor for the development of new therapeutic agents. The majority of metabolic diseases are speculated to originate from oxidative stress, and it is therefore significant that recent studies have shown the positive effect of flavones on diseases related to oxidative stress. Due to the wide range of biological activities of flavones, their structure-activity relationships have generated interest among medicinal chemists. The outstanding development of flavones derivatives in diverse diseases in very short span of time proves its magnitude for medicinal chemistry research. The present review gives detail about the structural requirement of flavone derivatives for various pharmacological activities. This information may provide an opportunity to scientists of medicinal chemistry discipline to design selective, optimize as well as poly-functional flavone derivatives for the treatment of multi-factorial diseases. Copyright © 2014 Elsevier Masson SAS. All rights reserved.

How Important Is Connectivity for Surface Water Fluxes? A Generalized Expression for Flow Through Heterogeneous Landscapes

Science.gov (United States)

Larsen, Laurel G.; Ma, Jie; Kaplan, David

2017-10-01

How important is hydrologic connectivity for surface water fluxes through heterogeneous floodplains, deltas, and wetlands? While significant for management, this question remains poorly addressed. Here we adopt spatial resistance averaging, based on channel and patch configuration metrics quantifiable from aerial imagery, to produce an upscaled rate law for discharge. Our model suggests that patch coverage largely controls discharge sensitivity, with smaller effects from channel connectivity and vegetation patch fractal dimension. However, connectivity and patch configuration become increasingly important near the percolation threshold and at low water levels. These effects can establish positive feedbacks responsible for substantial flow change in evolving landscapes (14-36%, in our Everglades case study). Connectivity also interacts with other drivers; flow through poorly connected hydroscapes is less resilient to perturbations in other drivers. Finally, we found that flow through heterogeneous patches is alone sufficient to produce non-Manning flow-depth relationships commonly observed in wetlands but previously attributed to depth-varying roughness.

Atmosphere physics and chemistry

International Nuclear Information System (INIS)

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

2005-10-01

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

Probing the structure of heterogeneous diluted materials by diffraction tomography.

Science.gov (United States)

Bleuet, Pierre; Welcomme, Eléonore; Dooryhée, Eric; Susini, Jean; Hodeau, Jean-Louis; Walter, Philippe

2008-06-01

The advent of nanosciences calls for the development of local structural probes, in particular to characterize ill-ordered or heterogeneous materials. Furthermore, because materials properties are often related to their heterogeneity and the hierarchical arrangement of their structure, different structural probes covering a wide range of scales are required. X-ray diffraction is one of the prime structural methods but suffers from a relatively poor detection limit, whereas transmission electron analysis involves destructive sample preparation. Here we show the potential of coupling pencil-beam tomography with X-ray diffraction to examine unidentified phases in nanomaterials and polycrystalline materials. The demonstration is carried out on a high-pressure pellet containing several carbon phases and on a heterogeneous powder containing chalcedony and iron pigments. The present method enables a non-invasive structural refinement with a weight sensitivity of one part per thousand. It enables the extraction of the scattering patterns of amorphous and crystalline compounds with similar atomic densities and compositions. Furthermore, such a diffraction-tomography experiment can be carried out simultaneously with X-ray fluorescence, Compton and absorption tomographies, enabling a multimodal analysis of prime importance in materials science, chemistry, geology, environmental science, medical science, palaeontology and cultural heritage.

Does leaf chemistry differentially affect breakdown in tropical vs temperate streams? Importance of standardized analytical techniques to measure leaf chemistry

Science.gov (United States)

Marcelo Ard& #243; n; Catherine M. Pringle; Susan L. Eggert

2009-01-01

Comparisons of the effects of leaf litter chemistry on leaf breakdown rates in tropical vs temperate streams are hindered by incompatibility among studies and across sites of analytical methods used to measure leaf chemistry. We used standardized analytical techniques to measure chemistry and breakdown rate of leaves from common riparian tree species at 2 sites, 1...

QM/MM investigations of organic chemistry oriented questions.

Science.gov (United States)

Schmidt, Thomas C; Paasche, Alexander; Grebner, Christoph; Ansorg, Kay; Becker, Johannes; Lee, Wook; Engels, Bernd

2014-01-01

About 35 years after its first suggestion, QM/MM became the standard theoretical approach to investigate enzymatic structures and processes. The success is due to the ability of QM/MM to provide an accurate atomistic picture of enzymes and related processes. This picture can even be turned into a movie if nuclei-dynamics is taken into account to describe enzymatic processes. In the field of organic chemistry, QM/MM methods are used to a much lesser extent although almost all relevant processes happen in condensed matter or are influenced by complicated interactions between substrate and catalyst. There is less importance for theoretical organic chemistry since the influence of nonpolar solvents is rather weak and the effect of polar solvents can often be accurately described by continuum approaches. Catalytic processes (homogeneous and heterogeneous) can often be reduced to truncated model systems, which are so small that pure quantum-mechanical approaches can be employed. However, since QM/MM becomes more and more efficient due to the success in software and hardware developments, it is more and more used in theoretical organic chemistry to study effects which result from the molecular nature of the environment. It is shown by many examples discussed in this review that the influence can be tremendous, even for nonpolar reactions. The importance of environmental effects in theoretical spectroscopy was already known. Due to its benefits, QM/MM can be expected to experience ongoing growth for the next decade.In the present chapter we give an overview of QM/MM developments and their importance in theoretical organic chemistry, and review applications which give impressions of the possibilities and the importance of the relevant effects. Since there is already a bunch of excellent reviews dealing with QM/MM, we will discuss fundamental ingredients and developments of QM/MM very briefly with a focus on very recent progress. For the applications we follow a similar

CO chemistry/research trends in CO chemistry in the US

Energy Technology Data Exchange (ETDEWEB)

Cantacuzene, M

1978-10-01

Research trends in CO chemistry in the U.S. include the development of stable and selective homogeneous catalysts which would facilitate the removal of the heat of reaction and be resistant to sulfur poisoning for the methanation reaction, methanol synthesis, and Fischer-Tropsch synthesis; development of low-temperature homogeneous water gas shift catalysts; and research on the coordination chemistry and photochemical conversions of CO/sub 2/. In 1977, the National Science Foundation awarded 16 contracts for a total of $720,000 to promote the research in this field, including studies on chemisorption and heterogeneous catalysis (four contracts) and on transition metal complexes (ten contracts, of which seven are dedicated to metal clusters). Carbon monoxide-based processes, including water gas shift reactions, CO reduction to alkanes and alcohols, hydroformylation, and homogeneous carbonylation processes, recently developed in the U.S. are listed.

Modern trends in contemporary chemistry

International Nuclear Information System (INIS)

Javed, H.; Pervez, H.; Qadeer, R.

1993-01-01

This publication contains a collection of papers presented at symposium on M odern Trends in Contemporary Chemistry , that was held in Islamabad, Pakistan, March 6-8, 1990. The symposium was divided into five sections for presentation of about 55 scientific and technical papers and 6 review papers. The contents of these papers were of good quality in the widespread concern in new trends of chemistry. The six reviews papers covered fields of ortho metallation reactions, evaluation of heterogeneous electron transfer rate contents, macro reticular ion-exchange resins, spectrochemical analytical techniques, liquid crystal-high technology materials for practical applications and trends in advanced ceramics. (A.B.)

Recent Advances in Atmospheric Chemistry of Mercury

Directory of Open Access Journals (Sweden)

Lin Si

2018-02-01

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

Chemistry and physics of fogwater collection. Final report

Energy Technology Data Exchange (ETDEWEB)

Jaeschke, W.; Enderle, K.H. (eds.)

1988-01-01

Increasing interest in the problems of air pollution and source receptor relationships has led to a significant expansion of knowledge in the field of atmospheric chemistry. In recent years the multiphase atmospheric chemistry was given great scholarly attention, and slogans like acid precipitation, dirty cloud or killer fog indicated these phenomena. The report describes results of collection and chemical analysis of fog water with emphasis or fog microphysics, of the heterogeneous atmospheric chemistry project in the Po-valley, of the development of the Great Dun Fell project, of the mountain cloud chemistry project in eastern U.S., of the design of fog water collectors and of the numerical study of the radiation fog event on October 10/11, 1982 in Albany, N.Y.

The importance of heterogeneity when examining immigrant education-occupation mismatch: evidence from New Zealand

OpenAIRE

Jacques Poot; Steven Stillman

2010-01-01

Many immigrants are overqualified in their first job after arrival in the host country. Education-occupation mismatch can affect the economic integration of immigrants and the returns to education and experience. The extent of this problem has been measured in recent years by means of micro level data in Australia, North America and Europe. However, these papers have typically ignored the importance of allowing for heterogeneity, in particular by qualification level and years in the destinati...

Physical heterogeneity control on effective mineral dissolution rates

Science.gov (United States)

Jung, Heewon; Navarre-Sitchler, Alexis

2018-04-01

Hydrologic heterogeneity may be an important factor contributing to the discrepancy in laboratory and field measured dissolution rates, but the governing factors influencing mineral dissolution rates among various representations of physical heterogeneity remain poorly understood. Here, we present multiple reactive transport simulations of anorthite dissolution in 2D latticed random permeability fields and link the information from local grid scale (1 cm or 4 m) dissolution rates to domain-scale (1m or 400 m) effective dissolution rates measured by the flux-weighted average of an ensemble of flow paths. We compare results of homogeneous models to heterogeneous models with different structure and layered permeability distributions within the model domain. Chemistry is simplified to a single dissolving primary mineral (anorthite) distributed homogeneously throughout the domain and a single secondary mineral (kaolinite) that is allowed to dissolve or precipitate. Results show that increasing size in correlation structure (i.e. long integral scales) and high variance in permeability distribution are two important factors inducing a reduction in effective mineral dissolution rates compared to homogeneous permeability domains. Larger correlation structures produce larger zones of low permeability where diffusion is an important transport mechanism. Due to the increased residence time under slow diffusive transport, the saturation state of a solute with respect to a reacting mineral approaches equilibrium and reduces the reaction rate. High variance in permeability distribution favorably develops large low permeability zones that intensifies the reduction in mixing and effective dissolution rate. However, the degree of reduction in effective dissolution rate observed in 1 m × 1 m domains is too small (equilibrium conditions reduce the effective dissolution rate by increasing the saturation state. However, in large domains where less- or non-reactive zones develop, higher

Perception of the importance of chemistry research papers and comparison to citation rates.

Science.gov (United States)

Borchardt, Rachel; Moran, Cullen; Cantrill, Stuart; Chemjobber; Oh, See Arr; Hartings, Matthew R

2018-01-01

Chemistry researchers are frequently evaluated on the perceived significance of their work with the citation count as the most commonly-used metric for gauging this property. Recent studies have called for a broader evaluation of significance that includes more nuanced bibliometrics as well as altmetrics to more completely evaluate scientific research. To better understand the relationship between metrics and peer judgements of significance in chemistry, we have conducted a survey of chemists to investigate their perceptions of previously published research. Focusing on a specific issue of the Journal of the American Chemical Society published in 2003, respondents were asked to select which articles they thought best matched importance and significance given several contexts: highest number of citations, most significant (subjectively defined), most likely to share among chemists, and most likely to share with a broader audience. The answers to the survey can be summed up in several observations. The ability of respondents to predict the citation counts of established research is markedly lower than the ability of those counts to be predicted by the h-index of the corresponding author of each article. This observation is conserved even when only considering responses from chemists whose expertise falls within the subdiscipline that best describes the work performed in an article. Respondents view both cited papers and significant papers differently than papers that should be shared with chemists. We conclude from our results that peer judgements of importance and significance differ from metrics-based measurements, and that chemists should work with bibliometricians to develop metrics that better capture the nuance of opinions on the importance of a given piece of research.

Continuous Heterogeneous Photocatalysis in Serial Micro-Batch Reactors.

Science.gov (United States)

Pieber, Bartholomäus; Shalom, Menny; Antonietti, Markus; Seeberger, Peter H; Gilmore, Kerry

2018-01-29

Solid reagents, leaching catalysts, and heterogeneous photocatalysts are commonly employed in batch processes but are ill-suited for continuous-flow chemistry. Heterogeneous catalysts for thermal reactions are typically used in packed-bed reactors, which cannot be penetrated by light and thus are not suitable for photocatalytic reactions involving solids. We demonstrate that serial micro-batch reactors (SMBRs) allow for the continuous utilization of solid materials together with liquids and gases in flow. This technology was utilized to develop selective and efficient fluorination reactions using a modified graphitic carbon nitride heterogeneous catalyst instead of costly homogeneous metal polypyridyl complexes. The merger of this inexpensive, recyclable catalyst and the SMBR approach enables sustainable and scalable photocatalysis. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Effect of Electromagnetic Fields on Transfer Processes in Heterogeneous Systems

Czech Academy of Sciences Publication Activity Database

Levdansky, V.V.; Kim, H. Y.; Kim, H. C.; Smolík, Jiří; Moravec, Pavel

2001-01-01

Roč. 44, č. 5 (2001), s. 1065-1071 ISSN 0017-9310 Institutional research plan: CEZ:AV0Z4072921 Keywords : electromagnetic field * transfer processes * heterogeneous system Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.240, year: 2001

Operando research in heterogeneous catalysis

CERN Document Server

Groot, Irene

2017-01-01

This book is devoted to the emerging field of techniques for visualizing atomic-scale properties of active catalysts under actual working conditions, i.e. high gas pressures and high temperatures. It explains how to understand these observations in terms of the surface structures and dynamics and their detailed interplay with the gas phase. This provides an important new link between fundamental surface physics and chemistry, and applied catalysis. The book explains the motivation and the necessity of operando studies, and positions these with respect to the more traditional low-pressure investigations on the one hand and the reality of industrial catalysis on the other. The last decade has witnessed a rapid development of new experimental and theoretical tools for operando studies of heterogeneous catalysis. The book has a strong emphasis on the new techniques and illustrates how the challenges introduced by the harsh, operando conditions are faced for each of these new tools. Therefore, one can also read th...

Amphibian and reptile communities in eleven Sites of Community Importance (SCI: relations between SCI area, heterogeneity and richness

Directory of Open Access Journals (Sweden)

Luca Canova

2007-11-01

Full Text Available Seven species of amphibians and reptiles were observed in eleven Sites of Community Importance (SCI of the Lodi Province (NW Italy. Distribution and relative abundance of amphibians appeared more variable than reptiles. Some species of conservation concern as R. latastei were influenced by habitat physiognomy, i.e. the surface of wooded areas are important in predict presence and relative abundance of this species. SCI with wider surfaces and higher habitat heterogeneity included higher number of species. Species richness, here considered as a raw index of biodiversity value and community quality, was significantly related to SCI area and habitat heterogeneity; since this significant positive relation is confirmed both for amphibians and reptiles we suggest that, in planning of natural areas, priority must be retained for biotopes able to host the higher number of species.

Analysis of heterogeneous oxygen exchange and fuel oxidation on the catalytic surface of perovskite membranes

KAUST Repository

Hong, Jongsup

2013-10-01

The catalytic kinetics of oxygen surface exchange and fuel oxidation for a perovskite membrane is investigated in terms of the thermodynamic state in the immediate vicinity of or on the membrane surface. Perovskite membranes have been shown to exhibit both oxygen perm-selectivity and catalytic activity for hydrocarbon conversion. A fundamental description of their catalytic surface reactions is needed. In this study, we infer the kinetic parameters for heterogeneous oxygen surface exchange and catalytic fuel conversion reactions, based on permeation rate measurements and a spatially resolved physical model that incorporates detailed chemical kinetics and transport in the gas-phase. The conservation equations for surface and bulk species are coupled with those of the gas-phase species through the species production rates from surface reactions. It is shown that oxygen surface exchange is limited by dissociative/associative adsorption/desorption of oxygen molecules onto/from the membrane surface. On the sweep side, while the catalytic conversion of methane to methyl radical governs the overall surface reactions at high temperature, carbon monoxide oxidation on the membrane surface is dominant at low temperature. Given the sweep side conditions considered in ITM reactor experiments, gas-phase reactions also play an important role, indicating the significance of investigating both homogeneous and heterogeneous chemistry and their coupling when examining the results. We show that the local thermodynamic state at the membrane surface should be considered when constructing and examining models of oxygen permeation and heterogeneous chemistry. © 2013 Elsevier B.V.

Analysis of heterogeneous oxygen exchange and fuel oxidation on the catalytic surface of perovskite membranes

KAUST Repository

Hong, Jongsup; Kirchen, Patrick; Ghoniem, Ahmed F.

2013-01-01

The catalytic kinetics of oxygen surface exchange and fuel oxidation for a perovskite membrane is investigated in terms of the thermodynamic state in the immediate vicinity of or on the membrane surface. Perovskite membranes have been shown to exhibit both oxygen perm-selectivity and catalytic activity for hydrocarbon conversion. A fundamental description of their catalytic surface reactions is needed. In this study, we infer the kinetic parameters for heterogeneous oxygen surface exchange and catalytic fuel conversion reactions, based on permeation rate measurements and a spatially resolved physical model that incorporates detailed chemical kinetics and transport in the gas-phase. The conservation equations for surface and bulk species are coupled with those of the gas-phase species through the species production rates from surface reactions. It is shown that oxygen surface exchange is limited by dissociative/associative adsorption/desorption of oxygen molecules onto/from the membrane surface. On the sweep side, while the catalytic conversion of methane to methyl radical governs the overall surface reactions at high temperature, carbon monoxide oxidation on the membrane surface is dominant at low temperature. Given the sweep side conditions considered in ITM reactor experiments, gas-phase reactions also play an important role, indicating the significance of investigating both homogeneous and heterogeneous chemistry and their coupling when examining the results. We show that the local thermodynamic state at the membrane surface should be considered when constructing and examining models of oxygen permeation and heterogeneous chemistry. © 2013 Elsevier B.V.

All-union conference on theoretical and applied radiation chemistry

Energy Technology Data Exchange (ETDEWEB)

Putilov, A.V.; Barashkov, N.N.

1985-01-01

The All-Union Conference on Theoretical and Applied Radiation Chemistry was held in Obninsk in October 1984. The subjects covered by the all-union conference included practically all urgent problems of modern radiation chemistry: theoretical principles of radiation chemistry, solid state radiation chemistry, radiation chemistry of heterogeneous processes, radiolysis of organic and inorganic substances, radiation polymerization and hardening, radiation chemistry of polymers, the technology of radiation chemistry and instrument making. Twenty-three plenary reports given by scientists representing the corresponding directions were devoted to an examination of the basic problems of modern radiation chemistry. Around 100 oral communications were heard and discussed at meetings of six sections operating within the framework of the conference. In addition the conference participants were able to acquaint themselves with and discuss more than 230 displays in parallel with the oral reports. Abstracts of all of the section oral reports and displays were published by the organizing committee in the form of a separate collection. The texts of the plenary reports were published in the journal Khimiya Vysokikh Energiy in 1985.

Plasma-assisted heterogeneous catalysis for NOx reduction in lean-burn engine exhaust

Energy Technology Data Exchange (ETDEWEB)

Penetrante, B.M.; Hsaio, M.C.; Merritt, B.T.; Vogtlin, G.E. [Lawrence Livermore National Lab., CA (United States); Wan, C.Z.; Rice, G.W.; Voss, K.E. [Engelhard Corp., Iselin, NJ (United States)

1997-12-31

This paper discusses the combination of a plasma with a catalyst to improve the reduction of NO{sub x} under lean-burn conditions. The authors have been investigating the effects of a plasma on the NO{sub x} reduction activity and temperature operating window of various catalytic materials. One of the goals is to develop a fundamental understanding of the interaction between the gas-phase plasma chemistry and the heterogeneous chemistry on the catalyst surface. The authors have observed that plasma assisted heterogeneous catalysis can facilitate NO{sub x} reduction under conditions that normally make it difficult for either the plasma or the catalyst to function by itself. By systematically varying the plasma electrode and catalyst configuration, they have been able to elucidate the process by which the plasma chemistry affects the chemical reduction of NO{sub x} on the catalyst surface. They have discovered that the main effect of the plasma is to induce the gas-phase oxidation of NO to NO{sub 21}. The reduction of NO{sub x} to N{sub 2} is then accomplished by heterogeneous reaction of O with activated hydrocarbons on the catalyst surface. The use of a plasma opens the opportunity for a new class of catalysts that are potentially more durable, more active, more selective and more sulfur-tolerant compared to conventional lean-NO{sub x} catalysts.

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…

Model development of dust emission and heterogeneous chemistry within the Community Multiscale Air Quality modeling system and its application over East Asia

Directory of Open Access Journals (Sweden)

X. Dong

2016-07-01

Full Text Available The Community Multiscale Air Quality (CMAQ model has been further developed in terms of simulating natural wind-blown dust in this study, with a series of modifications aimed at improving the model's capability to predict the emission, transport, and chemical reactions of dust. The default parameterization of initial threshold friction velocity constants are revised to correct the double counting of the impact of soil moisture in CMAQ by the reanalysis of field experiment data; source-dependent speciation profiles for dust emission are derived based on local measurements for the Gobi and Taklamakan deserts in East Asia; and dust heterogeneous chemistry is also implemented. The improved dust module in the CMAQ is applied over East Asia for March and April from 2006 to 2010. The model evaluation result shows that the simulation bias of PM10 and aerosol optical depth (AOD is reduced, respectively, from −55.42 and −31.97 % by the original CMAQ to −16.05 and −22.1 % by the revised CMAQ. Comparison with observations at the nearby Gobi stations of Duolun and Yulin indicates that applying a source-dependent profile helps reduce simulation bias for trace metals. Implementing heterogeneous chemistry also results in better agreement with observations for sulfur dioxide (SO2, sulfate (SO42−, nitric acid (HNO3, nitrous oxides (NOx, and nitrate (NO3−. The investigation of a severe dust storm episode from 19 to 21 March 2010 suggests that the revised CMAQ is capable of capturing the spatial distribution and temporal variation of dust. The model evaluation also indicates potential uncertainty within the excessive soil moisture used by meteorological simulation. The mass contribution of fine-mode particles in dust emission may be underestimated by 50 %. The revised CMAQ model provides a useful tool for future studies to investigate the emission, transport, and impact of wind-blown dust over East Asia and elsewhere.

Phase diagrams and heterogeneous equilibria a practical introduction

CERN Document Server

Predel, Bruno; Pool, Monte

2004-01-01

This graduate-level textbook provides an introduction to the practical application of phase diagrams. It is intended for students and researchers in chemistry, metallurgy, mineralogy, and materials science as well as in engineering and physics. Heterogeneous equilibria are described by a minimum of theory illustrated by practical examples and realistic case discussions from the different fields of application. The treatment of the physical and energetic background of phase equilibria leads to the discussion of the thermodynamics of mixtures and the correlation between energetics and composition. Thus, tools for the prediction of energetic, structural, and physical quantities are provided. The authors treat the nucleation of phase transitions, the production and stability of technologically important metastable phases, and metallic glasses. Furthermore, the text also concisely presents the thermodynamics and composition of polymer systems.

Coal-related research, organic chemistry, and catalysis

International Nuclear Information System (INIS)

Anon.

1980-01-01

Coal chemistry research topics included: H exchange at 400 0 C, breaking C-C bonds in coal, molecular weight estimation using small-angle neutron scattering, 13 C NMR spectra of coals, and tunneling during H/D isotope effects. Studies of coal conversion chemistry included thermolysis of bibenzyl and 1-naphthol, heating of coals in phenol, advanced indirect liquefaction based on Koelbel slurry Fischer-Tropsch reactor, and plasma oxidation of coal minerals. Reactions of PAHs in molten SbCl 3 , a hydrocracking catalyst, were studied. Finally, heterogeneous catalysis (desulfurization etc.) was studied using Cu, Au, and Ni surfaces. 7 figures, 6 tables

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

Cold Plasma: simple tool for convenient utilitarian chemistry in homogeneous and heterogeneous environments

International Nuclear Information System (INIS)

Das, Tomi Nath; Dey, Ghasi Ram

2015-07-01

Cold Plasma based experimental facilities have been commissioned (XI-XII Plan periods) in Radiation and Photochemistry Division, BARC to carry out free radical and excited state-induced chemistry in single- and mixed-phase milieu. In any reaction medium, Dielectric Barrier assisted Electric Discharge generates in situ non-equilibrium plasma constituting of electrons and photons (< 10 eV each) and chemically reactive ions, excited species and free radical transients near room temperature and pressure. Choice of reactants and nature of other added ingredient(s), type of interacting surface(s) and the dielectric characteristics, the rate and amount of electric energy dissipated within etc. control various reactions’ propensities and the natures of final products, following either routine or novel, atypical chemistry. A selection of results obtained from our laboratory highlight the development and the potential use of this technology. Constant improvements in Cold Plasma reactor types, and design, fabrication and assembly of a real-time measurement system, aiming to probe mechanistic chemistry, are also underway. (author)

Density functional theory in surface chemistry and catalysis

DEFF Research Database (Denmark)

Nørskov, Jens Kehlet; Abild-Pedersen, Frank; Studt, Felix

2011-01-01

Recent advances in the understanding of reactivity trends for chemistry at transition-metal surfaces have enabled in silico design of heterogeneous catalysts in a few cases. The current status of the field is discussed with an emphasis on the role of coupling theory and experiment and future...

Why Teach Environmental Chemistry?

Science.gov (United States)

Gardner, Marjorie H.

1974-01-01

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

A computer model for one-dimensional mass and energy transport in and around chemically reacting particles, including complex gas-phase chemistry, multicomponent molecular diffusion, surface evaporation, and heterogeneous reaction

Science.gov (United States)

Cho, S. Y.; Yetter, R. A.; Dryer, F. L.

1992-01-01

Various chemically reacting flow problems highlighting chemical and physical fundamentals rather than flow geometry are presently investigated by means of a comprehensive mathematical model that incorporates multicomponent molecular diffusion, complex chemistry, and heterogeneous processes, in the interest of obtaining sensitivity-related information. The sensitivity equations were decoupled from those of the model, and then integrated one time-step behind the integration of the model equations, and analytical Jacobian matrices were applied to improve the accuracy of sensitivity coefficients that are calculated together with model solutions.

Policy options for alcohol price regulation: the importance of modelling population heterogeneity.

Science.gov (United States)

Meier, Petra Sylvia; Purshouse, Robin; Brennan, Alan

2010-03-01

Context and aims Internationally, the repertoire of alcohol pricing policies has expanded to include targeted taxation, inflation-linked taxation, taxation based on alcohol-by-volume (ABV), minimum pricing policies (general or targeted), bans of below-cost selling and restricting price-based promotions. Policy makers clearly need to consider how options compare in reducing harms at the population level, but are also required to demonstrate proportionality of their actions, which necessitates a detailed understanding of policy effects on different population subgroups. This paper presents selected findings from a policy appraisal for the UK government and discusses the importance of accounting for population heterogeneity in such analyses. Method We have built a causal, deterministic, epidemiological model which takes account of differential preferences by population subgroups defined by age, gender and level of drinking (moderate, hazardous, harmful). We consider purchasing preferences in terms of the types and volumes of alcoholic beverages, prices paid and the balance between bars, clubs and restaurants as opposed to supermarkets and off-licenses. Results Age, sex and level of drinking fundamentally affect beverage preferences, drinking location, prices paid, price sensitivity and tendency to substitute for other beverage types. Pricing policies vary in their impact on different product types, price points and venues, thus having distinctly different effects on subgroups. Because population subgroups also have substantially different risk profiles for harms, policies are differentially effective in reducing health, crime, work-place absence and unemployment harms. Conclusion Policy appraisals must account for population heterogeneity and complexity if resulting interventions are to be well considered, proportionate, effective and cost-effective.

Development of a fluidized bed agglomeration modeling methodology to include particle-level heterogeneities in ash chemistry and granular physics

Science.gov (United States)

Khadilkar, Aditi B.

The utility of fluidized bed reactors for combustion and gasification can be enhanced if operational issues such as agglomeration are mitigated. The monetary and efficiency losses could be avoided through a mechanistic understanding of the agglomeration process and prediction of operational conditions that promote agglomeration. Pilot-scale experimentation prior to operation for each specific condition can be cumbersome and expensive. So the development of a mathematical model would aid predictions. With this motivation, the study comprised of the following model development stages- 1) development of an agglomeration modeling methodology based on binary particle collisions, 2) study of heterogeneities in ash chemical composition and gaseous atmosphere, 3) computation of a distribution of particle collision frequencies based on granular physics for a poly-disperse particle size distribution, 4) combining the ash chemistry and granular physics inputs to obtain agglomerate growth probabilities and 5) validation of the modeling methodology. The modeling methodology comprised of testing every binary particle collision in the system for sticking, based on the extent of dissipation of the particles' kinetic energy through viscous dissipation by slag-liquid (molten ash) covering the particles. In the modeling methodology developed in this study, thermodynamic equilibrium calculations are used to estimate the amount of slag-liquid in the system, and the changes in particle collision frequencies are accounted for by continuously tracking the number density of the various particle sizes. In this study, the heterogeneities in chemical composition of fuel ash were studied by separating the bulk fuel into particle classes that are rich in specific minerals. FactSage simulations were performed on two bituminous coals and an anthracite to understand the effect of particle-level heterogeneities on agglomeration. The mineral matter behavior of these constituent classes was studied

The concept, reality and utility of single-site heterogeneous catalysts (SSHCs).

Science.gov (United States)

Thomas, John Meurig

2014-05-07

Very substantial advances have recently been made in the design and construction of solid catalysts and in elucidating both their mode of operation and the factors that determine their selectivity and longevity. This Perspective explains how and why such progress has been made. One important factor, the deployment of single-site heterogeneous and enzymatic catalysts, used either alone or in conjunction with other strategies, including metabolic engineering, enables a multitude of new products (for example, environmentally clean jet fuel) to be readily manufactured. In a practical sense SSHCs enable the advantages of homogeneous and to a lesser degree enzymatic catalysts to be united with those of heterogeneous ones. With the aid of the vastly increasing families of nanoporous solids, desired catalytically active sites may be engineered in atomic detail on their inner, accessible surfaces, thereby opening up new possibilities in synthetic organic chemistry - as in the smooth formation of C-C and C[double bond, length as m-dash]N bonds in a number of intermolecular reactions - as well as in photocatalysts and in fluidized catalytic cracking of hydrocarbons.

Dry coniferous forest restoration and understory plant diversity: The importance of community heterogeneity and the scale of observation

Science.gov (United States)

Erich Kyle Dodson; David W. Peterson

2010-01-01

Maintaining understory plant species diversity is an important management goal as forest restoration and fuel reduction treatments are applied extensively to dry coniferous forests of western North America. However, understory diversity is a function of both local species richness (number of species in a sample unit) and community heterogeneity (beta diversity) at...

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

Catalysis as a foundational pillar of green chemistry

Energy Technology Data Exchange (ETDEWEB)

Anastas, Paul T. [White House Office of Science and Technology Policy, Department of Chemistry, University of Nottingham Nottingham, (United Kingdom); Kirchhoff, Mary M. [U.S. Environmental Protection Agency and Trinity College, Washington, DC (United States); Williamson, Tracy C. [U.S. Environmental Protection Agency, Washington, DC (United States)

2001-11-30

are serving as a strong incentive to industry to adopt greener technologies. Developing green chemistry methodologies is a challenge that may be viewed through the framework of the Twelve Principles of Green Chemistry . These principles identify catalysis as one of the most important tools for implementing green chemistry. Catalysis offers numerous green chemistry benefits including lower energy requirements, catalytic versus stoichiometric amounts of materials, increased selectivity, and decreased use of processing and separation agents, and allows for the use of less toxic materials. Heterogeneous catalysis, in particular, addresses the goals of green chemistry by providing the ease of separation of product and catalyst, thereby eliminating the need for separation through distillation or extraction. In addition, environmentally benign catalysts such as clays and zeolites, may replace more hazardous catalysts currently in use. This paper highlights a variety of ways in which catalysis may be used as a pollution prevention tool in green chemistry reactions. The benefits to human health, environment, and the economic goals realized through the use of catalysis in manufacturing and processing are illustrated by focusing on the catalyst design and catalyst applications.

System approach to chemistry course

OpenAIRE

Lorina E. Kruglova; Valentina G. Derendyaeva

2010-01-01

The article considers the raise of chemistry profile for engineers and constructors training, discloses the system approach to chemistry course and singles out the most important modules from the course of general chemistry for construction industry.

Chemistry in water reactors

International Nuclear Information System (INIS)

Hermansson, H.P.; Norring, K.

1994-01-01

The international conference Chemistry in Water Reactors was arranged in Nice 24-27/04/1994 by the French Nuclear Energy Society. Examples of technical program areas were primary chemistry, operational experience, fundamental studies and new technology. Furthermore there were sessions about radiation field build-up, hydrogen chemistry, electro-chemistry, condensate polishing, decontamination and chemical cleaning. The conference gave the impression that there are some areas that are going to be more important than others during the next few years to come. Cladding integrity: Professor Ishigure from Japan emphasized that cladding integrity is a subject of great concern, especially with respect to waterside corrosion, deposition and release of crud. Chemistry control: The control of the iron/nickel concentration quotient seems to be not as important as previously considered. The future operation of a nuclear power plant is going to require a better control of the water chemistry than achievable today. One example of this is solubility control via regulation in BWR. Trends in USA: means an increasing use of hydrogen, minimization of SCC/IASCC, minimization of radiation fields by thorough chemistry control, guarding fuel integrity by minimization of cladding corrosion and minimization of flow assisted corrosion. Stellite replacement: The search for replacement materials will continue. Secondary side crevice chemistry: Modeling and practical studies are required to increase knowledge about the crevice chemistry and how it develops under plant operation conditions. Inhibitors: Inhibitors for IGSCC and IGA as well for the primary- (zinc) as for the secondary side (Ti) should be studied. The effects and mode of operation of the inhibitors should be documented. Chemical cleaning: of heat transfer surfaces will be an important subject. Prophylactic cleaning at regular intervals could be one mode of operation

Radiation chemistry; principles and applications

International Nuclear Information System (INIS)

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

1994-01-01

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

Clays as mineral dust aerosol: An integrated approach to studying climate, atmospheric chemistry, and biogeochemical effects of atmospheric clay minerals in an undergraduate research laboratory

Science.gov (United States)

Hatch, C. D.; Crane, C. C.; Harris, K. J.; Thompson, C. E.; Miles, M. K.; Weingold, R. M.; Bucuti, T.

2011-12-01

Entrained mineral dust aerosol accounts for 45% of the global annual atmospheric aerosol load and can have a significant influence on important environmental issues, including climate, atmospheric chemistry, cloud formation, biogeochemical processes, visibility, and human health. 70% of all mineral aerosol mass originating from Africa consists of layered aluminosilicates, including illite, kaolinite, and montmorillonite clays. Clay minerals are a largely neglected component of mineral aerosol, yet they have unique physiochemical properties, including a high reactive surface area, large cation exchange capacities, small particle sizes, and a relatively large capacity to take up adsorbed water, resulting in expansion of clay layers (and a larger reactive surface area for heterogeneous interactions) in some cases. An integrated laboratory research approach has been implemented at Hendrix College, a Primarily Undergraduate Institution, in which undergraduate students are involved in independent and interdisciplinary research projects that relate the chemical aging processes (heterogeneous chemistry) of clay minerals as a major component of mineral aerosol to their effects on climate (water adsorption), atmospheric chemistry (trace gas uptake), and biogeochemistry (iron dissolution and phytoplankton biomarker studies). Preliminary results and future directions will be reported.

How relevant is heterogeneous chemistry on Mars? Strong tests via global mapping of water and ozone (sampled via O2 dayglow)

Science.gov (United States)

Villanueva, Geronimo Luis; Mumma, Michael J.; Novak, Robert E.

2015-11-01

Ozone and water are powerful tracers of photochemical processes on Mars. Considering that water is a condensable with a multifaceted hydrological cycle and ozone is continuously being produced / destroyed on short-time scales, their maps can test the validity of current 3D photochemical and dynamical models. Comparisons of modern GCM models (e.g., Lefèvre et al. 2004) with certain datasets (e.g., Clancy et al. 2012; Bertaux et al. 2012) point to significant disagreement, which in some cases have been related to heterogeneous (gas-dust) chemistry beyond the classical gas-gas homogeneous reactions.We address these concerns by acquiring full 2D maps of water and ozone (via O2 dayglow) on Mars, employing high spectral infrared spectrometers at ground-based telescopes (CRIRES/VLT and CSHELL/NASA-IRTF). By performing a rotational analysis on the O2 lines, we derive molecular temperature maps that we use to derive the vertical level of the emission (e.g., Novak et al. 2002). Our maps sample the full observable disk of Mars on March/25/2008 (Ls=50°, northern winter) and on Jan/29/2014 (Ls=83°, northern spring). The maps reveal a strong dependence of the O2 emission and water burden on local orography, while the temperature maps are in strong disagreement with current models. Could this be the signature of heterogeneous chemistry? We will present the global maps and will discuss possible scenarios to explain the observations.This work was partially funded by grants from NASA's Planetary Astronomy Program (344-32-51-96), NASA’s Mars Fundamental Research Program (203959.02.02.20.29), NASA’s Astrobiology Program (344-53-51), and the NSF-RUI Program (AST-805540). We thank the administration and staff of the European Southern Observatory/VLT and NASA-IRTF for awarding observing time and coordinating our observations.Bertaux, J.-L., Gondet, B., Lefèvre, F., et al. 2012. J. Geophys. Res. Pl. 117. pp. 1-9.Clancy, R.T., Sandor, B.J., Wolff, M.J., et al. 2012. J. Geophys. Res

Nitric oxide reduction in coal combustion: role of char surface complexes in heterogeneous reactions

Energy Technology Data Exchange (ETDEWEB)

Arenillas, A.; Rubiera, F.; Pis, J.J. [Instituto Nacional del Carbon, CSIC, Oviedo (Spain)

2002-12-15

Nitrogen oxides are one of the major environmental problems arising from fossil fuel combustion. Coal char is relatively rich in nitrogen, and so this is an important source of nitrogen oxides during coal combustion. However, due to its carbonaceous nature, char can also reduce NO through heterogeneous reduction. The objectives of this work were on one hand to compare NO emissions from coal combustion in two different types of equipment and on the other hand to study the influence of char surface chemistry on NO reduction. A series of combustion tests were carried out in two different scale devices: a thermogravimetric analyzer coupled to a mass spectrometer and an FTIR (TG-MS-FTIR) and a fluidized bed reactor with on-line battery of analyzers. According to the results obtained, it can be said that the TG-MS-FTIR system provides valuable information about NO heterogeneous reduction and it can give good trends of the behaviour in other combustion equipments, i.e. fluidized bed combustors. It has been also pointed out that NO-char interaction depends to a large extent on temperature. In the low-temperature range NO heterogeneous reduction seems to be controlled by the evolution of surface complexes. In the high-temperature range a different mechanism is involved in NO heterogeneous reduction, the nature of the carbon matrix being a key factor. 27 refs., 6 figs., 1 tab.

A coordination chemistry approach for modeling trace element adsorption

International Nuclear Information System (INIS)

Bourg, A.C.M.

1986-01-01

The traditional distribution coefficient, Kd, is highly dependent on the water chemistry and the surface properties of the geological system being studied and is therefore quite inappropriate for use in predictive models. Adsorption, one of the many processes included in Kd values, is described here using a coordination chemistry approach. The concept of adsorption of cationic trace elements by solid hydrous oxides can be applied to natural solids. The adsorption process is thus understood in terms of a classical complexation leading to the formation of surface (heterogeneous) ligands. Applications of this concept to some freshwater, estuarine and marine environments are discussed. (author)

Turkish Chemistry Teachers' Views about Secondary School Chemistry Curriculum: A Perspective from Environmental Education

Science.gov (United States)

Icoz, Omer Faruk

2015-01-01

Teachers' views about environmental education (EE) have been regarded as one of the most important concerns in education for sustainability. In secondary school chemistry curriculum, there are several subjects about EE embedded in the chemistry subjects in Turkey. This study explores three chemistry teachers' views about to what extent the…

Genetic heterogeneity of retinitis pigmentosa

OpenAIRE

Hartono, Hartono

2015-01-01

Genetic heterogeneity is a phenomenon in which a genetic disease can be transmitted by several modes of inheritance. The understanding of genetic heterogeneity is important in giving genetic counselling.The presence of genetic heterogeneity can be explained by the existence of:1.different mutant alleles at a single locus, and2.mutant alleles at different loci affecting the same enzyme or protein, or affecting different enzymes or proteins.To have an overall understanding of genetic heterogene...

How Important are the Laws of Definite and Multiple Proportions in Chemistry and Teaching Chemistry? A History and Philosophy of Science Perspective

Science.gov (United States)

Niaz, Mansoor

The main objectives of this study are:(1) to elaborate a framework based on a rational reconstruction of developments that led to the formulation of the laws of definite and multiple proportions; (2) to ascertain students' views of the two laws; (3) to formulate criteria based on the framework for evaluating chemistry textbooks' treatment of the two laws; and (4) to provide a rationale for chemistry teachers to respond to the question: Can we teach chemistry without the laws of definite and multiple proportions? Results obtained show that most of the textbooks present the laws of definite and multiple proportions within an inductivist perspective, characterized by the following sequence: experimental findings showed that chemical elements combined in fixed/multiple proportions, followed by the formulation of the laws of definite and multiple proportions, and finally Dalton's atomic theory was postulated to explain the laws. Students were found to be reluctant to question the laws that they learnt as the building blocks of chemistry. It is concluded that by emphasizing the laws of definite and multiple proportions, textbooks inevitably endorse the dichotomy between theories and laws, which is questioned by philosophers of science (Lakatos 1970; Giere 1995a, b). An alternative approach is presented which shows that we can teach chemistry without the laws of definite and multiple proportions.

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.)

Incorporation of Medicinal Chemistry into the Organic Chemistry Curriculum

Science.gov (United States)

Forbes, David C.

2004-01-01

Application of concepts presented in organic chemistry lecture using a virtual project involving the sythesis of medicinally important compounds is emphasized. The importance of reinforcing the concepts from lecture in lab, thus providing a powerful instructional means is discussed.

Observational Insights into N2O5 Heterogeneous Chemistry: Influencing Factors and Contribution to Wintertime Air Pollution

Science.gov (United States)

McDuffie, E. E.; Fibiger, D. L.; Womack, C.; Dube, W. P.; Lopez-Hilfiker, F.; Goldberger, L.; Thornton, J. A.; Shah, V.; Jaegle, L.; Guo, H.; Weber, R. J.; Schroder, J. C.; Campuzano Jost, P.; Jimenez, J. L.; Franchin, A.; Middlebrook, A. M.; Baasandorj, M.; Brown, S. S.

2017-12-01

Chemical mechanisms that underlie wintertime air pollution, including tropospheric ozone and aerosol nitrate, are poorly characterized. Due to colder temperatures and fewer hours of solar radiation, nocturnal heterogeneous uptake of N2O5 plays a relatively larger role during wintertime in controlling the oxidation of NOx (=NO+NO2) and its influence on ozone and soluble nitrate. After uptake to aerosol, N2O5 can act as both a nocturnal NOx reservoir and sink depending on the partitioning between its nitric acid and photo labile, ClNO2 reaction products. In addition, N2O5 itself can act as a NOx reservoir if the aerosol uptake coefficient is small. As a result, the nocturnal fate of N2O5 dictates the amount of NOx in an air parcel and the subsequent formation of aerosol nitrate and following-day ozone. Models of winter air pollution therefore require accurate parameterization of the N2O5 uptake coefficient, as well as factors that control its magnitude and N2O5 product partitioning. There are currently only a small number of ambient N2O5 and ClNO2 observations during the winter season concurrent with measurements of relevant variables such as aerosol size distributions and composition. The Wintertime INvestigation of Transport, Emissions, and Reactivity (WINTER) campaign conducted 10 nighttime research flights with the NCAR C-130 over the eastern U.S. during February and March, 2015. The more recent Utah Wintertime Fine Particulate Study (UWFPS) conducted over 20 research flights with the NOAA twin otter aircraft during January-February 2017 in three mountain basins near and including Salt Lake City, Utah. The two campaigns were similarly instrumented and have provided the first aircraft observations of N2O5, ClNO2, and aerosol composition in the wintertime boundary layer in these urban-influenced regions. Analysis of heterogeneous chemistry under a wide range of real environmental conditions provides insight into the factors controlling the N2O5 uptake coefficient

Industrial applications of radiation chemistry; Perspectives industrielles de la chimie sous rayonnement

Energy Technology Data Exchange (ETDEWEB)

Puig, Jean Rene [Commissariat a l' energie atomique et aux energies alternatives - CEA, Service de chimie-physique, CEN de Saclay (France)

1959-07-01

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

Dynamic contact angle cycling homogenizes heterogeneous surfaces.

Science.gov (United States)

Belibel, R; Barbaud, C; Mora, L

2016-12-01

In order to reduce restenosis, the necessity to develop the appropriate coating material of metallic stent is a challenge for biomedicine and scientific research over the past decade. Therefore, biodegradable copolymers of poly((R,S)-3,3 dimethylmalic acid) (PDMMLA) were prepared in order to develop a new coating exhibiting different custom groups in its side chain and being able to carry a drug. This material will be in direct contact with cells and blood. It consists of carboxylic acid and hexylic groups used for hydrophilic and hydrophobic character, respectively. The study of this material wettability and dynamic surface properties is of importance due to the influence of the chemistry and the potential motility of these chemical groups on cell adhesion and polymer kinetic hydrolysis. Cassie theory was used for the theoretical correction of contact angles of these chemical heterogeneous surfaces coatings. Dynamic Surface Analysis was used as practical homogenizer of chemical heterogeneous surfaces by cycling during many cycles in water. In this work, we confirmed that, unlike receding contact angle, advancing contact angle is influenced by the difference of only 10% of acidic groups (%A) in side-chain of polymers. It linearly decreases with increasing acidity percentage. Hysteresis (H) is also a sensitive parameter which is discussed in this paper. Finally, we conclude that cycling provides real information, thus avoiding theoretical Cassie correction. H(10)is the most sensible parameter to %A. Copyright © 2016 Elsevier B.V. All rights reserved.

Simulation of stratospheric water vapor trends: impact on stratospheric ozone chemistry

Directory of Open Access Journals (Sweden)

A. Stenke

2005-01-01

Full Text Available A transient model simulation of the 40-year time period 1960 to 1999 with the coupled climate-chemistry model (CCM ECHAM4.L39(DLR/CHEM shows a stratospheric water vapor increase over the last two decades of 0.7 ppmv and, additionally, a short-term increase after major volcanic eruptions. Furthermore, a long-term decrease in global total ozone as well as a short-term ozone decline in the tropics after volcanic eruptions are modeled. In order to understand the resulting effects of the water vapor changes on lower stratospheric ozone chemistry, different perturbation simulations were performed with the CCM ECHAM4.L39(DLR/CHEM feeding the water vapor perturbations only to the chemistry part. Two different long-term perturbations of lower stratospheric water vapor, +1 ppmv and +5 ppmv, and a short-term perturbation of +2 ppmv with an e-folding time of two months were applied. An additional stratospheric water vapor amount of 1 ppmv results in a 5–10% OH increase in the tropical lower stratosphere between 100 and 30 hPa. As a direct consequence of the OH increase the ozone destruction by the HOx cycle becomes 6.4% more effective. Coupling processes between the HOx-family and the NOx/ClOx-family also affect the ozone destruction by other catalytic reaction cycles. The NOx cycle becomes 1.6% less effective, whereas the effectiveness of the ClOx cycle is again slightly enhanced. A long-term water vapor increase does not only affect gas-phase chemistry, but also heterogeneous ozone chemistry in polar regions. The model results indicate an enhanced heterogeneous ozone depletion during antarctic spring due to a longer PSC existence period. In contrast, PSC formation in the northern hemisphere polar vortex and therefore heterogeneous ozone depletion during arctic spring are not affected by the water vapor increase, because of the less PSC activity. Finally, this study shows that 10% of the global total ozone decline in the transient model run

The Importance of Computer Based Active Learning for Basic Chemistry in Vocational High Schools

Directory of Open Access Journals (Sweden)

Tuğçe GÜNTER

2011-01-01

Full Text Available Chemistry is a very comprehensive discipline that researches atoms; molecules; the structure of matter in the form of element or compound; combinations, and physical and chemical properties of matter; macroscopic and microscopic transformations of matters; the energy and entropy released or absorbed in the course of these transformations; the structures and functions of carbohydrates, lipids, proteins, enzymes, vitamins and minerals in the body. This discipline includes numerous reactions at the macroscopic, microscopic and particulate levels, abstract concepts, three-dimensional structure of molecules, mathematics, and graphics. It is important for students to be trained as scientists to internalize -with meaningful learning - chemistry having much abstract concepts. Especially for students in associate degree programs in Vocational High Schools, taking this integrated course will provide them to be more creative in their future professional work; to cope with and overcome analytical problems; to be self-learners; to fill the gaps concerning chemical analysis originated from secondary education; and to gain critical thinking and self-evaluation skills regarding chemical problems. In the age of developing science and technology, “Computer-Based Active Learning Method” emerged with the introduction of multi-media into education and training. In this context, students will learn difficult and complex mathematical operations and graphics interpretations more meaningfully with computer-based simulations and analogies.

Major Successes of Theory-and-Experiment-Combined Studies in Surface Chemistry and Heterogeneous Catalysis.

Energy Technology Data Exchange (ETDEWEB)

Somorjai, Gabor A.; Li, Yimin

2009-11-21

Experimental discoveries followed by theoretical interpretations that pave the way of further advances by experimentalists is a developing pattern in modern surface chemistry and catalysis. The revolution of modern surface science started with the development of surface-sensitive techniques such as LEED, XPS, AES, ISS and SIMS, in which the close collaboration between experimentalists and theorists led to the quantitative determination of surface structure and composition. The experimental discovery of the chemical activity of surface defects and the trends in the reactivity of transitional metals followed by the explanations from the theoretical studies led to the molecular level understanding of active sites in catalysis. The molecular level knowledge, in turn, provided a guide for experiments to search for new generation of catalysts. These and many other examples of successes in experiment-and-theory-combined studies demonstrate the importance of the collaboration between experimentalists and theorists in the development of modern surface science.

Coumarin Compounds in Medicinal Chemistry: Some Important Examples from the Last Years.

Science.gov (United States)

Pereira, Thiago Moreira; Franco, Daiana Portella; Vitorio, Felipe; Kummerle, Arthur Eugen

2018-01-01

Coumarins are natural products characterized as 1,2 benzopyrones widely distributed in plants, as well as, in many species of fungi and bacteria. Nowadays, many synthetic procedures allow the discovery of coumarins with expanded chemical space. The ability to exert noncovalent interactions with many enzymes and receptors in live organisms lead the coumarins to exhibit a wide range of biological activities and applications. Then, this manuscript provides an overview of the use of coumarins compounds in medicinal chemistry in treating many diseases. Important examples of the last years have been selected concerning the activities of coumarins as anticoagulant, anticancer, antioxidant, antiviral, anti-diabetics, anti-inflammatory, antibacterial, antifungal and anti-neurodegerative agents. Additionally, it also includes applications of coumarins as fluorescent sensors for biological systems. Thus, this work aims to contribute to the development of new rational research projects for the treatment and diagnosis of pathologies using coumarin derivatives. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

Does a Course on the History and Philosophy of Chemistry Have Any Effect on Prospective Chemistry Teachers' Perceptions? The Case of Chemistry and the Chemist

Science.gov (United States)

Sendur, G.; Polat, M.; Kazanci, C.

2017-01-01

The creative comparisons prospective chemistry teachers make about "chemistry" and the "chemist" may reflect how they perceive these concepts. In this sense, it seems important to determine which creative comparisons prospective teachers make with respect to these and how these can change after the history of chemistry is…

The Migration and Entrapment of DNAPLs in Physically and Chemically Heterogeneous Porous Media - Final Report - 09/15/1996 - 09/15/2000; FINAL

International Nuclear Information System (INIS)

Abriola, L. M.; Demond, A. H.

2000-01-01

Hazardous dense nonaqueous phase liquids (DNAPLs), such as chlorinated solvents, are slightly water soluble and pose a serious threat to soil and groundwater supplies in many portions of the United States. The migration and entrapment of DNAPLs in the subsurface environment is typically believed to be controlled by physical heterogeneities; i.e, layers and lenses of contrasting soil texture. The rationale for this assumption is that capillarity, as determined by the soil texture, is the dominant transport mechanism. Capillarity also depends on interfacial tension and medium wettability. Interfacial tension and medium wettability may be spatially and temporally dependent due to variations in aqueous phase chemistry, contaminant aging, and/or variations in mineralogy and organic matter distributions. Such chemical heterogeneities have largely been ignored to date, even though they are known to have dramatic effects on the hydraulic property relations. Numerical multiphase flow and transport models typically assume that solids are water-wet and that interfacial tension is constant. The primary objective of this research is to investigate the influence of coupled physical and chemical heterogeneities on the migration and entrapment of DNAPLs. This objective will be accomplished through a combination of laboratory and numerical experiments. Laboratory experiments will be conducted to examine: (i) aqueous phase chemistry effects on medium wettability and interfacial tension; and (ii) relative permeability-saturation-capillary pressure relations for chemically heterogeneous systems. An important objective of this research is to modify a two-dimensional multiphase flow and transport model to account for chemically and physically heterogeneous systems. This numerical simulator will be used in conjunction with independently measured parameters to simulate two-dimensional DNAPL infiltration experiments. Comparisons of simulated and laboratory data will provide a means to

Determination of the relative power density distribution in a heterogeneous reactor from the results of measurements of the reactivity effects and the neutron importance function

International Nuclear Information System (INIS)

Bobrov, A. A.; Glushkov, E. S.; Zimin, A. A.; Kapitonova, A. V.; Kompaniets, G. V.; Nosov, V. I.; Petrushenko, R. P.; Smirnov, O. N.

2012-01-01

A method for experimental determination of the relative power density distribution in a heterogeneous reactor based on measurements of fuel reactivity effects and importance of neutrons from a californium source is proposed. The method was perfected on two critical assembly configurations at the NARCISS facility of the Kurchatov Institute, which simulated a small-size heterogeneous nuclear reactor. The neutron importance measurements were performed on subcritical and critical assemblies. It is shown that, along with traditionally used activation methods, the developed method can be applied to experimental studies of special features of the power density distribution in critical assemblies and reactors.

Constructing Bridges between Computational Tools in Heterogeneous and Homogeneous Catalysis

KAUST Repository

Falivene, Laura; Kozlov, Sergey M.; Cavallo, Luigi

2018-01-01

Better catalysts are needed to address numerous challenges faced by humanity. In this perspective, we review concepts and tools in theoretical and computational chemistry that can help to accelerate the rational design of homogeneous and heterogeneous catalysts. In particular, we focus on the following three topics: 1) identification of key intermediates and transition states in a reaction using the energetic span model, 2) disentanglement of factors influencing the relative stability of the key species using energy decomposition analysis and the activation strain model, and 3) discovery of new catalysts using volcano relationships. To facilitate wider use of these techniques across different areas, we illustrate their potentials and pitfalls when applied to the study of homogeneous and heterogeneous catalysts.

Constructing Bridges between Computational Tools in Heterogeneous and Homogeneous Catalysis

KAUST Repository

Falivene, Laura

2018-05-08

Better catalysts are needed to address numerous challenges faced by humanity. In this perspective, we review concepts and tools in theoretical and computational chemistry that can help to accelerate the rational design of homogeneous and heterogeneous catalysts. In particular, we focus on the following three topics: 1) identification of key intermediates and transition states in a reaction using the energetic span model, 2) disentanglement of factors influencing the relative stability of the key species using energy decomposition analysis and the activation strain model, and 3) discovery of new catalysts using volcano relationships. To facilitate wider use of these techniques across different areas, we illustrate their potentials and pitfalls when applied to the study of homogeneous and heterogeneous catalysts.

Environmental Chemistry in the Undergraduate Laboratory.

Science.gov (United States)

Wenzel, Thomas J.; Austin, Rachel N.

2001-01-01

Discusses the importance of environmental chemistry and the use of laboratory exercises in analytical and general chemistry courses. Notes the importance of lab work in heightening student interest in coursework including problem-based learning in undergraduate curricula, ready adaptability of environmental coursework to existing curricula, and…

Role of bonding mechanisms during transfer hydrogenation reaction on heterogeneous catalysts of platinum nanoparticles supported on zinc oxide nanorods

Science.gov (United States)

Al-Alawi, Reem A.; Laxman, Karthik; Dastgir, Sarim; Dutta, Joydeep

2016-07-01

For supported heterogeneous catalysis, the interface between a metal nanoparticle and the support plays an important role. In this work the dependency of the catalytic efficiency on the bonding chemistry of platinum nanoparticles supported on zinc oxide (ZnO) nanorods is studied. Platinum nanoparticles were deposited on ZnO nanorods (ZnO NR) using thermal and photochemical processes and the effects on the size, distribution, density and chemical state of the metal nanoparticles upon the catalytic activities are presented. The obtained results indicate that the bonding at Pt-ZnO interface depends on the deposition scheme which can be utilized to modulate the surface chemistry and thus the activity of the supported catalysts. Additionally, uniform distribution of metal on the catalyst support was observed to be more important than the loading density. It is also found that oxidized platinum Pt(IV) (platinum hydroxide) provided a more suitable surface for enhancing the transfer hydrogenation reaction of cyclohexanone with isopropanol compared to zero valent platinum. Photochemically synthesized ZnO supported nanocatalysts were efficient and potentially viable for upscaling to industrial applications.

Reference Sources in Chemistry

OpenAIRE

Sthapit, Dilip Man

1995-01-01

Information plays an important role in the development of every field. Therefore a brief knowledge regarding information sources is necessary to function in any field. There are many information sources about scientific and technical subjects. In this context there are many reference sources in Chemistry too. Chemistry is one important part of the science which deals with the study of the composition of substances and the chemical changes that they undergo. The purpose of this report is...

Reactions at surfaces in the atmosphere: integration of experiments and theory as necessary (but not necessarily sufficient) for predicting the physical chemistry of aerosols.

Science.gov (United States)

Finlayson-Pitts, Barbara J

2009-09-28

While particles have significant deleterious impacts on human health, visibility and climate, quantitative understanding of their formation, composition and fates remains problematic. Indeed, in many cases, even qualitative understanding is lacking. One area of particular uncertainty is the nature of particle surfaces and how this determines interactions with gases in the atmosphere, including water, which is important for cloud formation and properties. The focus in this Perspective article is on some chemistry relevant to airborne particles and especially to reactions occurring on their surfaces. The intent is not to provide a comprehensive review, but rather to highlight a few selected examples of interface chemistry involving inorganic and organic species that may be important in the lower atmosphere. This includes sea salt chemistry, nitrate and nitrite ion photochemistry, organics on surfaces and heterogeneous reactions of oxides of nitrogen on proxies for airborne mineral dust and boundary layer surfaces. Emphasis is on the molecular level understanding that can only be gained by fully integrating experiment and theory to elucidate these complex systems.

The coupling effect of gas-phase chemistry and surface reactions on oxygen permeation and fuel conversion in ITM reactors

KAUST Repository

Hong, Jongsup

2015-08-01

© 2015 Elsevier B.V. The effect of the coupling between heterogeneous catalytic reactions supported by an ion transport membrane (ITM) and gas-phase chemistry on fuel conversion and oxygen permeation in ITM reactors is examined. In ITM reactors, thermochemical reactions take place in the gas-phase and on the membrane surface, both of which interact with oxygen permeation. However, this coupling between gas-phase and surface chemistry has not been examined in detail. In this study, a parametric analysis using numerical simulations is conducted to investigate this coupling and its impact on fuel conversion and oxygen permeation rates. A thermochemical model that incorporates heterogeneous chemistry on the membrane surface and detailed chemical kinetics in the gas-phase is used. Results show that fuel conversion and oxygen permeation are strongly influenced by the simultaneous action of both chemistries. It is shown that the coupling somewhat suppresses the gas-phase kinetics and reduces fuel conversion, both attributed to extensive thermal energy transfer towards the membrane which conducts it to the air side and radiates to the reactor walls. The reaction pathway and products, in the form of syngas and C2 hydrocarbons, are also affected. In addition, the operating regimes of ITM reactors in which heterogeneous- or/and homogeneous-phase reactions predominantly contribute to fuel conversion and oxygen permeation are elucidated.

Continuous-Flow Processes in Heterogeneously Catalyzed Transformations of Biomass Derivatives into Fuels and Chemicals

Directory of Open Access Journals (Sweden)

Antonio A. Romero

2012-07-01

Full Text Available Continuous flow chemical processes offer several advantages as compared to batch chemistries. These are particularly relevant in the case of heterogeneously catalyzed transformations of biomass-derived platform molecules into valuable chemicals and fuels. This work is aimed to provide an overview of key continuous flow processes developed to date dealing with a series of transformations of platform chemicals including alcohols, furanics, organic acids and polyols using a wide range of heterogeneous catalysts based on supported metals, solid acids and bifunctional (metal + acidic materials.

Nanoengineering of Ruthenium and Platinum-based Nanocatalysts by Continuous-Flow Chemistry for Renewable Energy Applications

KAUST Repository

AlYami, Noktan Mohammed

2017-01-01

This thesis presents an integrated study of nanocatalysts for heterogenous catalytic and electrochemical processes using pure ruthenium (Ru) with mixed-phase and platinum-based nanomaterials synthesized by continuous-flow chemistry. There are three

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

Radiation chemistry in nuclear technology

International Nuclear Information System (INIS)

Katsumura, Yosuke

2006-01-01

The importance of radiation chemistry in the field of nuclear technology including reactor chemistry, spent fuel reprocessing and radioactive high level waste repository, is summarized and, in parallel, our research activity will be briefly presented. (author)

"Sizing" Heterogeneous Chemistry in the Conversion of Gaseous Dimethyl Sulfide to Atmospheric Particles.

Science.gov (United States)

Enami, Shinichi; Sakamoto, Yosuke; Hara, Keiichiro; Osada, Kazuo; Hoffmann, Michael R; Colussi, Agustín J

2016-02-16

The oxidation of biogenic dimethyl sulfide (DMS) emissions is a global source of cloud condensation nuclei. The amounts of the nucleating H2SO4(g) species produced in such process, however, remain uncertain. Hydrophobic DMS is mostly oxidized in the gas phase into H2SO4(g) + DMSO(g) (dimethyl sulfoxide), whereas water-soluble DMSO is oxidized into H2SO4(g) in the gas phase and into SO4(2-) + MeSO3(-) (methanesulfonate) on water surfaces. R = MeSO3(-)/(non-sea-salt SO4(2-)) ratios would therefore gauge both the strength of DMS sources and the extent of DMSO heterogeneous oxidation if Rhet = MeSO3(-)/SO4(2-) for DMSO(aq) + ·OH(g) were known. Here, we report that Rhet = 2.7, a value obtained from online electrospray mass spectra of DMSO(aq) + ·OH(g) reaction products that quantifies the MeSO3(-) produced in DMSO heterogeneous oxidation on aqueous aerosols for the first time. On this basis, the inverse R dependence on particle radius in size-segregated aerosol collected over Syowa station and Southern oceans is shown to be consistent with the competition between DMSO gas-phase oxidation and its mass accommodation followed by oxidation on aqueous droplets. Geographical R variations are thus associated with variable contributions of the heterogeneous pathway to DMSO atmospheric oxidation, which increase with the specific surface area of local aerosols.

Spatial heterogeneity study of vegetation coverage at Heihe River Basin

Science.gov (United States)

Wu, Lijuan; Zhong, Bo; Guo, Liyu; Zhao, Xiangwei

2014-11-01

Spatial heterogeneity of the animal-landscape system has three major components: heterogeneity of resource distributions in the physical environment, heterogeneity of plant tissue chemistry, heterogeneity of movement modes by the animal. Furthermore, all three different types of heterogeneity interact each other and can either reinforce or offset one another, thereby affecting system stability and dynamics. In previous studies, the study areas are investigated by field sampling, which costs a large amount of manpower. In addition, uncertain in sampling affects the quality of field data, which leads to unsatisfactory results during the entire study. In this study, remote sensing data is used to guide the sampling for research on heterogeneity of vegetation coverage to avoid errors caused by randomness of field sampling. Semi-variance and fractal dimension analysis are used to analyze the spatial heterogeneity of vegetation coverage at Heihe River Basin. The spherical model with nugget is used to fit the semivariogram of vegetation coverage. Based on the experiment above, it is found, (1)there is a strong correlation between vegetation coverage and distance of vegetation populations within the range of 0-28051.3188m at Heihe River Basin, but the correlation loses suddenly when the distance greater than 28051.3188m. (2)The degree of spatial heterogeneity of vegetation coverage at Heihe River Basin is medium. (3)Spatial distribution variability of vegetation occurs mainly on small scales. (4)The degree of spatial autocorrelation is 72.29% between 25% and 75%, which means that spatial correlation of vegetation coverage at Heihe River Basin is medium high.

Radiation chemistry and its application

International Nuclear Information System (INIS)

Majima, Tetsuro

2013-01-01

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

Movies in Chemistry Education

Science.gov (United States)

Pekdag, Bulent; Le Marechal, Jean-Francois

2010-01-01

This article reviews numerous studies on chemistry movies. Movies, or moving pictures, are important elements of multimedia and signify a privileged or motivating means of presenting knowledge. Studies on chemistry movies show that the first movie productions in this field were devoted to university lectures or documentaries. Shorter movies were…

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

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.

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.

11th National Meeting of Organic Chemistry and 4th Meeting of Therapeutic Chemistry

Science.gov (United States)

Sousa, Maria Emília; Araújo, Maria João; do Vale, Maria Luísa; Andrade, Paula B.; Branco, Paula; Gomes, Paula; Moreira, Rui; Pinho e Melo, Teresa M.V.D.; Freitas, Victor

2016-01-01

For the first time under the auspices of Sociedade Portuguesa de Química, the competences of two important fields of Chemistry are brought together into a single event, the 11st National Organic Chemistry Meeting and the the 4th National Medicinal Chemistry Meeting, to highlight complementarities and to promote new synergies. Abstracts of plenary lectures, oral communications, and posters presented during the meeting are collected in this report. PMID:27102166

11th National Meeting of Organic Chemistry and 4th Meeting of Therapeutic Chemistry

Directory of Open Access Journals (Sweden)

Maria Emília Sousa

2016-03-01

Full Text Available For the first time under the auspices of Sociedade Portuguesa de Química, the competences of two important fields of Chemistry are brought together into a single event, the 11st National Organic Chemistry Meeting and the the 4th National Medicinal Chemistry Meeting, to highlight complementarities and to promote new synergies. Abstracts of plenary lectures, oral communications, and posters presented during the meeting are collected in this report.

Surface science and heterogeneous catalysis

International Nuclear Information System (INIS)

Somorjai, G.A.

1980-05-01

The catalytic reactions studied include hydrocarbon conversion over platinum, the transition metal-catalyzed hydrogenation of carbon monoxide, and the photocatalyzed dissociation of water over oxide surfaces. The method of combined surface science and catalytic studies is similar to those used in synthetic organic chemistry. The single-crystal models for the working catalyst are compared with real catalysts by comparing the rates of cyclopropane ring opening on platinum and the hydrogenation of carbon monoxide on rhodium single crystal surface with those on practical commercial catalyst systems. Excellent agreement was obtained for these reactions. This document reviews what was learned about heterogeneous catalysis from these surface science approaches over the past 15 years and present models of the active catalyst surface

Convection and chemistry effects in CVD: A 3-D analysis for silicon deposition

Science.gov (United States)

Gokoglu, S. A.; Kuczmarski, M. A.; Tsui, P.; Chait, A.

1989-01-01

The computational fluid dynamics code FLUENT has been adopted to simulate the entire rectangular-channel-like (3-D) geometry of an experimental CVD reactor designed for Si deposition. The code incorporated the effects of both homogeneous (gas phase) and heterogeneous (surface) chemistry with finite reaction rates of important species existing in silane dissociation. The experiments were designed to elucidate the effects of gravitationally-induced buoyancy-driven convection flows on the quality of the grown Si films. This goal is accomplished by contrasting the results obtained from a carrier gas mixture of H2/Ar with the ones obtained from the same molar mixture ratio of H2/He, without any accompanying change in the chemistry. Computationally, these cases are simulated in the terrestrial gravitational field and in the absence of gravity. The numerical results compare favorably with experiments. Powerful computational tools provide invaluable insights into the complex physicochemical phenomena taking place in CVD reactors. Such information is essential for the improved design and optimization of future CVD reactors.

Engineering Microbial Metabolite Dynamics and Heterogeneity.

Science.gov (United States)

Schmitz, Alexander C; Hartline, Christopher J; Zhang, Fuzhong

2017-10-01

As yields for biological chemical production in microorganisms approach their theoretical maximum, metabolic engineering requires new tools, and approaches for improvements beyond what traditional strategies can achieve. Engineering metabolite dynamics and metabolite heterogeneity is necessary to achieve further improvements in product titers, productivities, and yields. Metabolite dynamics, the ensemble change in metabolite concentration over time, arise from the need for microbes to adapt their metabolism in response to the extracellular environment and are important for controlling growth and productivity in industrial fermentations. Metabolite heterogeneity, the cell-to-cell variation in a metabolite concentration in an isoclonal population, has a significant impact on ensemble productivity. Recent advances in single cell analysis enable a more complete understanding of the processes driving metabolite heterogeneity and reveal metabolic engineering targets. The authors present an overview of the mechanistic origins of metabolite dynamics and heterogeneity, why they are important, their potential effects in chemical production processes, and tools and strategies for engineering metabolite dynamics and heterogeneity. The authors emphasize that the ability to control metabolite dynamics and heterogeneity will bring new avenues of engineering to increase productivity of microbial strains. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Impacts of heterogeneous reactions to atmospheric peroxides: Observations and budget analysis study

Science.gov (United States)

Qin, Mengru; Chen, Zhongming; Shen, Hengqing; Li, Huan; Wu, Huihui; Wang, Yin

2018-06-01

Atmospheric peroxides play important roles in atmospheric chemistry, acting as reactive oxidants and reservoirs of HOX and ROX radicals. Field measurements of atmospheric peroxides were conducted over urban Beijing from 2015 to 2016, including dust storm days, haze days and different seasons. We employed a box model based on RACM2 mechanism to conduct concentration simulation and budget analysis of hydrogen peroxide (H2O2) and peroxyacetic acid (PAA). In this study, heterogeneous reaction is found to be a significant sink for atmospheric H2O2 and PAA in urban Beijing. Here, we recommend a suitable uptake coefficient formula considering the water effect for model research of peroxides. It is found that H2O2 and PAA unexpectedly maintained considerable concentrations on haze days, even higher than that on non-haze days. This phenomenon is mainly ascribed to relatively high levels of volatile organic compounds and ozone on haze days. In addition, high levels of water vapor in pollution episode can promote not only the heterogeneous uptake to aerosol phase but also the production of H2O2. Atmospheric PAA formation is suggested to be sensitive to alkenes and NOX in urban Beijing. In particular, with the help of peroxides, sulfate formation rate from heterogeneous uptake could increase by ∼4 times on haze days, indicating the potential effect of peroxides on enhancement of aerosol oxidative property and secondary sulfate formation.

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…

Indoor Chemistry

DEFF Research Database (Denmark)

Weschler, Charles J.; Carslaw, Nicola

2018-01-01

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

Future perspectives of radiation chemistry

International Nuclear Information System (INIS)

Hatano, Yoshihiko

2009-01-01

Future perspectives of radiation chemistry are discussed by the analysis of the related information in detail as obtained from our recent surveys of publications and scientific meetings in radiation chemistry and its neighboring research fields, giving some examples, and are summarized as follows. (1) Traditionally important core-parts of radiation chemistry should be activated more. The corresponding research programs are listed in detail. (2) Research fields of physics, chemistry, biology, medicine, and technology in radiation research should interact more among them with each other. (3) Basic research of radiation chemistry should interact more with its applied research. (4) Interface research fields with radiation chemistry should be produced more with mutually common viewpoints and research interests between the two. Interfaces are not only applied research but also basic one.

Interest rate rules with heterogeneous expectations

NARCIS (Netherlands)

Anufriev, M.; Assenza, T.; Hommes, C.; Massaro, D.

2011-01-01

The recent macroeconomic literature stresses the importance of managing heterogeneous expectations in the formulation of monetary policy. We use a simple frictionless DSGE model to investigate inflation dynamics under alternative interest rate rules when agents have heterogeneous expectations and

Optimum coolant chemistry in BWRs

International Nuclear Information System (INIS)

Lin, C.C.; Cowan, R.L.; Kiss, E.

2004-01-01

LWR water chemistry parameters are directly or indirectly related to the plant's operational performance and for a significant amount of Operation and Maintenance (O and M) costs. Obvious impacts are the operational costs associated with water treatment, monitoring and associated radwaste generation. Less obvious is the important role water chemistry plays in the magnitude of drywell shutdown dose rates, fuel corrosion performance and, (probably most importantly) materials degradation such as from stress corrosion cracking of piping and Reactor Pressure Vessel (RPV) internal components. To improve the operational excellence of the BWR and to minimize the impact of water chemistry on O and M costs. General Electric has developed the concept of Optimum Water Chemistry (OWC). The 'best practices' and latest technology findings from the U.S., Asia and Europe are integrated into the suggested OWC Specification. This concept, together with cost effective ways to meet the requirement, are discussed. (author)

The chemistry-climate model ECHAM6.3-HAM2.3-MOZ1.0

Science.gov (United States)

Schultz, Martin G.; Stadtler, Scarlet; Schröder, Sabine; Taraborrelli, Domenico; Franco, Bruno; Krefting, Jonathan; Henrot, Alexandra; Ferrachat, Sylvaine; Lohmann, Ulrike; Neubauer, David; Siegenthaler-Le Drian, Colombe; Wahl, Sebastian; Kokkola, Harri; Kühn, Thomas; Rast, Sebastian; Schmidt, Hauke; Stier, Philip; Kinnison, Doug; Tyndall, Geoffrey S.; Orlando, John J.; Wespes, Catherine

2018-05-01

The chemistry-climate model ECHAM-HAMMOZ contains a detailed representation of tropospheric and stratospheric reactive chemistry and state-of-the-art parameterizations of aerosols using either a modal scheme (M7) or a bin scheme (SALSA). This article describes and evaluates the model version ECHAM6.3-HAM2.3-MOZ1.0 with a focus on the tropospheric gas-phase chemistry. A 10-year model simulation was performed to test the stability of the model and provide data for its evaluation. The comparison to observations concentrates on the year 2008 and includes total column observations of ozone and CO from IASI and OMI, Aura MLS observations of temperature, HNO3, ClO, and O3 for the evaluation of polar stratospheric processes, an ozonesonde climatology, surface ozone observations from the TOAR database, and surface CO data from the Global Atmosphere Watch network. Global budgets of ozone, OH, NOx, aerosols, clouds, and radiation are analyzed and compared to the literature. ECHAM-HAMMOZ performs well in many aspects. However, in the base simulation, lightning NOx emissions are very low, and the impact of the heterogeneous reaction of HNO3 on dust and sea salt aerosol is too strong. Sensitivity simulations with increased lightning NOx or modified heterogeneous chemistry deteriorate the comparison with observations and yield excessively large ozone budget terms and too much OH. We hypothesize that this is an impact of potential issues with tropical convection in the ECHAM model.

Tropospheric Halogen Chemistry

Science.gov (United States)

von Glasow, R.; Crutzen, P. J.

2003-12-01

processes. Early work by Cauer (1951) had shown that Cl/Na and Cl/Mg ratios were lower in air than in seawater, indicating loss of chlorine by "acid displacement" from sea salt by the strong acids, H2SO4 (Eriksson (1959a, b) and HNO3 (Robbins et al., 1959). Already the first measurements of bromine in aerosols by Duce et al. (1963) showed that bromine, like chlorine, was lost from the sea salt particles, whereas iodine was strongly enriched ( Duce et al., 1965). Research since the early 1980s has shown that photochemical processes are actively involved.Interest in the chemistry of atmospheric halogens took a steep upward surge after it was postulated that the release of industrially produced halocarbons, in particular the chlorofluorocarbons (CFCs), CFCl3, and CF2Cl2, could cause severe depletions in stratospheric ozone (Molina and Rowland, 1974) by the reactions involving the CFC photolytic product radicals, Cl and ClO, as catalysts. The first stratospheric measurements of ClO did indeed show its presence in significant quantities in the stratosphere so that by the end of the 1970s USA, Canada, and the Scandinavian countries issued laws against the use of CFC gases as propellants in spray cans. In the mid-1980s the springtime stratospheric ozone hole over Antarctica was discovered by Farman et al. (1985), involving heterogeneous reactions on polar stratospheric clouds that lead to chlorine activation ( Solomon et al., 1986). Ten years later, in 1996, a complete phaseout ofthe production of the CFCs and a number of other chlorine- or bromine-containing chemicals came into effect for all nations in the developed world. In this contribution we will, however, concentrate on the impact of reactive chlorine, bromine, and iodine on tropospheric ozone chemistry.Halogens have the potential to be important in many facets of tropospheric chemistry. A multitude of gas phase reactions and gas-particle interactions occur that include coupling with the sulfur cycle and reactions with

Metal Fluorides, Metal Chlorides and Halogenated Metal Oxides as Lewis Acidic Heterogeneous Catalysts. Providing Some Context for Nanostructured Metal Fluorides.

Science.gov (United States)

Lennon, David; Winfield, John M

2017-01-28

Aspects of the chemistry of selected metal fluorides, which are pertinent to their real or potential use as Lewis acidic, heterogeneous catalysts, are reviewed. Particular attention is paid to β-aluminum trifluoride, aluminum chlorofluoride and aluminas γ and η, whose surfaces become partially fluorinated or chlorinated, through pre-treatment with halogenating reagents or during a catalytic reaction. In these cases, direct comparisons with nanostructured metal fluorides are possible. In the second part of the review, attention is directed to iron(III) and copper(II) metal chlorides, whose Lewis acidity and potential redox function have had important catalytic implications in large-scale chlorohydrocarbons chemistry. Recent work, which highlights the complexity of reactions that can occur in the presence of supported copper(II) chloride as an oxychlorination catalyst, is featured. Although direct comparisons with nanostructured fluorides are not currently possible, the work could be relevant to possible future catalytic developments in nanostructured materials.

Interface of Chemistry and Biology

OpenAIRE

I. Kira Astakhova

2013-01-01

Many exciting research studies in Science today lie at the interface between various disciplines. The interface between Chemistry and Biology is particularly rich, since it closely reflects Nature and the origins of Life. Multiple research groups in the Chemistry Departments around the world have made substantial efforts to interweave ideas from Chemistry and Biology to solve important questions related to material science and healthcare, just to name a few. International Journal of Bioorgani...

Publicising chemistry in a multicultural society through chemistry outreach

Directory of Open Access Journals (Sweden)

Joyce D. Sewry

2011-11-01

Full Text Available Given the emphasis in Higher Education on community engagement in South Africa and the importance of international collaboration, we discuss a joint approach to chemistry outreach in two countries on two continents with widely differing target school audiences. We describe the history of the partnership between the chemistry departments at Rhodes University and the University of Bristol and provide an outline of the chemistry content of their outreach initiatives, the modes of delivery, the advantages to both departments and their students for involvement in various levels of outreach, the challenges they still face and additional opportunities that such work facilitated. The lecture demonstration ‘A Pollutant’s Tale’ was presented to thousands of learners all over the world, including learners at resource-deprived schools in South Africa. Challenges to extend outreach activities in South Africa include long travelling distances, as well as a lack of facilities (such as school halls and electricity at schools. Outreach activities not only impacted on the target audience of young learners, they also impacted upon the postgraduate and other chemistry students taking part in these initiatives. This collaboration strengthened both institutions and their outreach work and may also lead to chemistry research collaborations between the academics involved.

Remedial mathematics for quantum chemistry

NARCIS (Netherlands)

Koopman, L.; Brouwer, N.; Heck, A.; Buma, W.J.

2008-01-01

Proper mathematical skills are important for every science course and mathematics-intensive chemistry courses rely on a sound mathematical pre-knowledge. In the first-year quantum chemistry course at this university, it was noticed that many students lack basic mathematical knowledge. To tackle the

Mo-II Cluster Complex-Based Coordination Polymer as an Efficient Heterogeneous Catalyst in the Suzuki–Miyaura Coupling Reaction

Czech Academy of Sciences Publication Activity Database

Bůžek, Daniel; Hynek, Jan; Kučeráková, Monika; Kirakci, Kaplan; Demel, Jan; Lang, Kamil

2016-01-01

Roč. 2016, č. 28 (2016), s. 4668-4673 ISSN 1434-1948 R&D Projects: GA ČR GA13-05114S; GA ČR GA15-12653S EU Projects: European Commission(XE) CZ.2.16/3.1.00/24510 Institutional support: RVO:61388980 ; RVO:68378271 Keywords : C–C coupling * Heterogeneous catalysis * Molybdenum * Palladium * Polymers Subject RIV: CA - Inorganic Chemistry ; CF - Physical ; Theoretical Chemistry (FZU-D) Impact factor: 2.444, year: 2016

Does leaf chemistry differentially affect breakdown in tropical versus temperate streams? Importance of standardized analytical techniques to measure leaf chemistry

Science.gov (United States)

Marcelo Ardon; Catherine M. Pringle; Susan L. Eggert

2009-01-01

Comparisons of the effects of leaf litter chemistry on leaf breakdown rates in tropical vs temperate streams are hindered by incompatibility among studies and across sites of analytical methods used to...

BWR and PWR chemistry operating experience and perspectives

International Nuclear Information System (INIS)

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

2014-01-01

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

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

Science.gov (United States)

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

2014-01-01

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

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.

Future in actinoids coordination chemistry

International Nuclear Information System (INIS)

Kitazawa, Takafumi

2006-01-01

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

Chemistry management system for nuclear power plants

International Nuclear Information System (INIS)

Nagasawa, Katsumi; Maeda, Katsuji

1998-01-01

Recently, the chemistry management in the nuclear power plants has been changing from the problem solution to the predictive diagnosis and maintenance. It is important to maintain the integrity of plant operation by an adequate chemistry control. For these reasons, many plant operation data and chemistry analysis data should be collected and treated effectively to evaluate chemistry condition of the nuclear power plants. When some indications of chemistry anomalies occur, quick and effective root cause evaluation and countermeasures should be required. The chemistry management system has been developed as to provide sophisticate chemistry management in the nuclear power plants. This paper introduces the concept and functions of the chemistry management system for the nuclear power plants. (author)

Connections between radiation and positronium chemistry

International Nuclear Information System (INIS)

Hirade, Tetsuya

2007-01-01

Some of the important connections between radiation chemistry and positronium chemistry started from the establishment of the spur reaction model proposed by Mogensen. Now, the modified model, the blob model proposed by Stepanov and Byakov, is making it possible to have the quantitative or semi-quantitative view of the positronium formation by using the distributions of positrons and excess electrons. Some of the interesting topics will be picked up here to understand the connections between radiation chemistry and positronium chemistry

Evaluation of Chemical Representations in Physical Chemistry Textbooks

Science.gov (United States)

Nyachwaya, James M.; Wood, Nathan B.

2014-01-01

That different levels of representation are important for complete understanding of chemistry is an accepted fact in the chemistry education community. This study sought to uncover types of representations used in given physical chemistry textbooks. Textbooks play a central role in the teaching and learning of science (chemistry), and in some…

Monetary policy, banking and heterogeneous agents

NARCIS (Netherlands)

Wolski, M.

2012-01-01

The influence of heterogeneous expectations on monetary policy performance has gained a lot of attention in the recent years. It proved to be an important factor that, under some circumstances, may even destabilize the economy (Massaro, 2012). This paper investigates the phenomenon of heterogeneous

Getting the chemistry right: protonation, tautomers and the importance of H atoms in biological chemistry.

Science.gov (United States)

Bax, Ben; Chung, Chun Wa; Edge, Colin

2017-02-01

There are more H atoms than any other type of atom in an X-ray crystal structure of a protein-ligand complex, but as H atoms only have one electron they diffract X-rays weakly and are `hard to see'. The positions of many H atoms can be inferred by our chemical knowledge, and such H atoms can be added with confidence in `riding positions'. For some chemical groups, however, there is more ambiguity over the possible hydrogen placements, for example hydroxyls and groups that can exist in multiple protonation states or tautomeric forms. This ambiguity is far from rare, since about 25% of drugs have more than one tautomeric form. This paper focuses on the most common, `prototropic', tautomers, which are isomers that readily interconvert by the exchange of an H atom accompanied by the switch of a single and an adjacent double bond. Hydrogen-exchange rates and different protonation states of compounds (e.g. buffers) are also briefly discussed. The difference in heavy (non-H) atom positions between two tautomers can be small, and careful refinement of all possible tautomers may single out the likely bound ligand tautomer. Experimental methods to determine H-atom positions, such as neutron crystallography, are often technically challenging. Therefore, chemical knowledge and computational approaches are frequently used in conjugation with experimental data to deduce the bound tautomer state. Proton movement is a key feature of many enzymatic reactions, so understanding the orchestration of hydrogen/proton motion is of critical importance to biological chemistry. For example, structural studies have suggested that, just as a chemist may use heat, some enzymes use directional movement to protonate specific O atoms on phosphates to catalyse phosphotransferase reactions. To inhibit `wriggly' enzymes that use movement to effect catalysis, it may be advantageous to have inhibitors that can maintain favourable contacts by adopting different tautomers as the enzyme `wriggles'.

High energy chemistry. Modern state and trends in development

International Nuclear Information System (INIS)

Pikaev, A.K.

1990-01-01

In the review modern state of studies in the field of high energy chemistry is considered. The most important achievements and problems of further development of radiation chemistry, plasmochemistry, photochemistry, laser chemistry and some other branches of high energy chemistry are discussed

Advances in BWR water chemistry

International Nuclear Information System (INIS)

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

2012-09-01

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

Mixing-controlled uncertainty in long-term predictions of acid rock drainage from heterogeneous waste-rock piles

Science.gov (United States)

Pedretti, D.; Beckie, R. D.; Mayer, K. U.

2015-12-01

The chemistry of drainage from waste-rock piles at mine sites is difficult to predict because of a number of uncertainties including heterogeneous reactive mineral content, distribution of minerals, weathering rates and physical flow properties. In this presentation, we examine the effects of mixing on drainage chemistry over timescales of 100s of years. We use a 1-D streamtube conceptualization of flow in waste rocks and multicomponent reactive transport modeling. We simplify the reactive system to consist of acid-producing sulfide minerals and acid-neutralizing carbonate minerals and secondary sulfate and iron oxide minerals. We create multiple realizations of waste-rock piles with distinct distributions of reactive minerals along each flow path and examine the uncertainty of drainage geochemistry through time. The limited mixing of streamtubes that is characteristic of the vertical unsaturated flow in many waste-rock piles, allows individual flowpaths to sustain acid or neutral conditions to the base of the pile, where the streamtubes mix. Consequently, mixing and the acidity/alkalinity balance of the streamtube waters, and not the overall acid- and base-producing mineral contents, control the instantaneous discharge chemistry. Our results show that the limited mixing implied by preferential flow and the heterogeneous distribution of mineral contents lead to large uncertainty in drainage chemistry over short and medium time scales. However, over longer timescales when one of either the acid-producing or neutralizing primary phases is depleted, the drainage chemistry becomes less controlled by mixing and in turn less uncertain. A correct understanding of the temporal variability of uncertainty is key to make informed long-term decisions in mining settings regarding the management of waste material.

Seventh BES [Basic Energy Sciences] catalysis and surface chemistry research conference

International Nuclear Information System (INIS)

1990-03-01

Research programs on catalysis and surface chemistry are presented. A total of fifty-seven topics are included. Areas of research include heterogeneous catalysis; catalysis in hydrogenation, desulfurization, gasification, and redox reactions; studies of surface properties and surface active sites; catalyst supports; chemical activation, deactivation; selectivity, chemical preparation; molecular structure studies; sorption and dissociation. Individual projects are processed separately for the data bases

Seventh BES (Basic Energy Sciences) catalysis and surface chemistry research conference

Energy Technology Data Exchange (ETDEWEB)

1990-03-01

Research programs on catalysis and surface chemistry are presented. A total of fifty-seven topics are included. Areas of research include heterogeneous catalysis; catalysis in hydrogenation, desulfurization, gasification, and redox reactions; studies of surface properties and surface active sites; catalyst supports; chemical activation, deactivation; selectivity, chemical preparation; molecular structure studies; sorption and dissociation. Individual projects are processed separately for the data bases. (CBS)

Nanoparticles found in superheated steam: a quantitative analysis of possible heterogeneous condensation nuclei

Czech Academy of Sciences Publication Activity Database

Kolovratník, M.; Hrubý, Jan; Ždímal, Vladimír; Bartoš, Ondřej; Jiříček, I.; Moravec, Pavel; Zíková, Naděžda

2014-01-01

Roč. 228, č. 2 (2014), s. 186-193 ISSN 0957-6509 R&D Projects: GA ČR GA101/09/1633 Institutional support: RVO:61388998 ; RVO:67985858 Keywords : heterogeneous nucleation * steam turbine * ultrafine aerosol particles Subject RIV: BJ - Thermodynamics; CF - Physical ; Theoretical Chemistry (UCHP-M) Impact factor: 0.645, year: 2014 http://pia.sagepub.com/content/early/2013/12/10/0957650913512816

Quantifying spatial heterogeneity from images

International Nuclear Information System (INIS)

Pomerantz, Andrew E; Song Yiqiao

2008-01-01

Visualization techniques are extremely useful for characterizing natural materials with complex spatial structure. Although many powerful imaging modalities exist, simple display of the images often does not convey the underlying spatial structure. Instead, quantitative image analysis can extract the most important features of the imaged object in a manner that is easier to comprehend and to compare from sample to sample. This paper describes the formulation of the heterogeneity spectrum to show the extent of spatial heterogeneity as a function of length scale for all length scales to which a particular measurement is sensitive. This technique is especially relevant for describing materials that simultaneously present spatial heterogeneity at multiple length scales. In this paper, the heterogeneity spectrum is applied for the first time to images from optical microscopy. The spectrum is measured for thin section images of complex carbonate rock cores showing heterogeneity at several length scales in the range 10-10 000 μm.

Physical organic chemistry in the making

NARCIS (Netherlands)

Engberts, J.B.F.N.

The discipline of physical organic chemistry will continue to occupy a central position in chemistry. The rapid increase in instrumentation and important theoretical developments allow the investigation of many problems of great complexity and challenge. In the next century the leading theme will

Measurement-based modeling of bromine chemistry in the boundary layer: 1. Bromine chemistry at the Dead Sea

Science.gov (United States)

Tas, E.; Peleg, M.; Pedersen, D. U.; Matveev, V.; Pour Biazar, A.; Luria, M.

2006-12-01

The Dead Sea is an excellent natural laboratory for the investigation of Reactive Bromine Species (RBS) chemistry, due to the high RBS levels observed in this area, combined with anthropogenic air pollutants up to several ppb. The present study investigated the basic chemical mechanism of RBS at the Dead Sea using a numerical one-dimensional chemical model. Simulations were based on data obtained from comprehensive measurements performed at sites along the Dead Sea. The simulations showed that the high BrO levels measured frequently at the Dead Sea could only partially be attributed to the highly concentrated Br- present in the Dead Sea water. Furthermore, the RBS activity at the Dead Sea cannot solely be explained by a pure gas phase mechanism. This paper presents a chemical mechanism which can account for the observed chemical activity at the Dead Sea, with the addition of only two heterogeneous processes: the "Bromine Explosion" mechanism and the heterogeneous decomposition of BrONO2. Ozone frequently dropped below a threshold value of ~1 to 2 ppbv at the Dead Sea evaporation ponds, and in such cases, O3 became a limiting factor for the production of BrOx (BrO+Br). The entrainment of O3 fluxes into the evaporation ponds was found to be essential for the continuation of RBS activity, and to be the main reason for the jagged diurnal pattern of BrO observed in the Dead Sea area, and for the positive correlation observed between BrO and O3 at low O3 concentrations. The present study has shown that the heterogeneous decomposition of BrONO2 has a great potential to affect the RBS activity in areas influenced by anthropogenic emissions, mainly due to the positive correlation between the rate of this process and the levels of NO2. Further investigation of the influence of the decomposition of BrONO2 may be especially important in understanding the RBS activity at mid-latitudes.

Measurement-based modeling of bromine chemistry in the boundary layer: 1. Bromine chemistry at the Dead Sea

Directory of Open Access Journals (Sweden)

E. Tas

2006-01-01

Full Text Available The Dead Sea is an excellent natural laboratory for the investigation of Reactive Bromine Species (RBS chemistry, due to the high RBS levels observed in this area, combined with anthropogenic air pollutants up to several ppb. The present study investigated the basic chemical mechanism of RBS at the Dead Sea using a numerical one-dimensional chemical model. Simulations were based on data obtained from comprehensive measurements performed at sites along the Dead Sea. The simulations showed that the high BrO levels measured frequently at the Dead Sea could only partially be attributed to the highly concentrated Br− present in the Dead Sea water. Furthermore, the RBS activity at the Dead Sea cannot solely be explained by a pure gas phase mechanism. This paper presents a chemical mechanism which can account for the observed chemical activity at the Dead Sea, with the addition of only two heterogeneous processes: the "Bromine Explosion" mechanism and the heterogeneous decomposition of BrONO2. Ozone frequently dropped below a threshold value of ~1 to 2 ppbv at the Dead Sea evaporation ponds, and in such cases, O3 became a limiting factor for the production of BrOx (BrO+Br. The entrainment of O3 fluxes into the evaporation ponds was found to be essential for the continuation of RBS activity, and to be the main reason for the jagged diurnal pattern of BrO observed in the Dead Sea area, and for the positive correlation observed between BrO and O3 at low O3 concentrations. The present study has shown that the heterogeneous decomposition of BrONO2 has a great potential to affect the RBS activity in areas influenced by anthropogenic emissions, mainly due to the positive correlation between the rate of this process and the levels of NO2. Further investigation of the influence of the decomposition of BrONO2 may be especially important in understanding the RBS activity at mid-latitudes.

A green chemistry lab course

International Nuclear Information System (INIS)

Rank, J.; Lenoir, D.; Bahadir, M.; Koning, B.

2006-01-01

The traditional course content of chemistry classes must change to achieve better awareness of the important issues of sustainability in chemistry within the next generation of professional chemists. To provide the necessary material for the organic chemistry teaching lab course, which is part of almost all study programs in chemistry, material was developed and collected (http://www.oc-praktikum.de/en) that allows students and teachers to assess reactions beyond the experimental set up, reaction mechanism and chemical yield. Additional parameters like atom economy of chemical transformations, energy efficiency, and questions of waste, renewable feed stocks, toxicity and ecotoxicity, as well as the safety measures for the chemicals used are discussed. (author)

Korean Kimchi Chemistry: A Multicultural Chemistry Connection

Science.gov (United States)

Murfin, Brian

2009-01-01

Connecting science with different cultures is one way to interest students in science, to relate science to their lives, and at the same time to broaden their horizons in a variety of ways. In the lesson described here, students make kimchi, a delicious and popular Korean dish that can be used to explore many important chemistry concepts,…

Aerosol Fragmentation Driven by Coupling of Acid-Base and Free-Radical Chemistry in the Heterogeneous Oxidation of Aqueous Citric Acid by OH Radicals.

Science.gov (United States)

Liu, Matthew J; Wiegel, Aaron A; Wilson, Kevin R; Houle, Frances A

2017-08-10

A key uncertainty in the heterogeneous oxidation of carboxylic acids by hydroxyl radicals (OH) in aqueous-phase aerosol is how the free-radical reaction pathways might be altered by acid-base chemistry. In particular, if acid-base reactions occur concurrently with acyloxy radical formation and unimolecular decomposition of alkoxy radicals, there is a possibility that differences in reaction pathways impact the partitioning of organic carbon between the gas and aqueous phases. To examine these questions, a kinetic model is developed for the OH-initiated oxidation of citric acid aerosol at high relative humidity. The reaction scheme, containing both free-radical and acid-base elementary reaction steps with physically validated rate coefficients, accurately predicts the experimentally observed molecular composition, particle size, and average elemental composition of the aerosol upon oxidation. The difference between the two reaction channels centers on the reactivity of carboxylic acid groups. Free-radical reactions mainly add functional groups to the carbon skeleton of neutral citric acid, because carboxylic acid moieties deactivate the unimolecular fragmentation of alkoxy radicals. In contrast, the conjugate carboxylate groups originating from acid-base equilibria activate both acyloxy radical formation and carbon-carbon bond scission of alkoxy radicals, leading to the formation of low molecular weight, highly oxidized products such as oxalic and mesoxalic acid. Subsequent hydration of carbonyl groups in the oxidized products increases the aerosol hygroscopicity and accelerates the substantial water uptake and volume growth that accompany oxidation. These results frame the oxidative lifecycle of atmospheric aerosol: it is governed by feedbacks between reactions that first increase the particle oxidation state, then eventually promote water uptake and acid-base chemistry. When coupled to free-radical reactions, acid-base channels lead to formation of low molecular

Comet Halley and interstellar chemistry

International Nuclear Information System (INIS)

Snyder, L.E.

1989-01-01

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

Untangling the Chemical Evolution of Titan's Atmosphere and Surface -- From Homogeneous to Heterogeneous Chemistry

Energy Technology Data Exchange (ETDEWEB)

Kaiser, Ralf I.; Maksyutenko, Pavlo; Ennis, Courtney; Zhang, Fangtong; Gu, Xibin; Krishtal, Sergey P.; Mebel, Alexander M.; Kostko, Oleg; Ahmed, Musahid

2010-03-16

The arrival of the Cassini-Huygens probe at Saturn's moon Titan - the only Solar System body besides Earth and Venus with a solid surface and a thick atmosphere with a pressure of 1.4 atm at surface level - in 2004 opened up a new chapter in the history of Solar System exploration. The mission revealed Titan as a world with striking Earth-like landscapes involving hydrocarbon lakes and seas as well as sand dunes and lava-like features interspersed with craters and icy mountains of hitherto unknown chemical composition. The discovery of a dynamic atmosphere and active weather system illustrates further the similarities between Titan and Earth. The aerosol-based haze layers, which give Titan its orange-brownish color, are not only Titan's most prominent optically visible features, but also play a crucial role in determining Titan's thermal structure and chemistry. These smog-like haze layers are thought to be very similar to those that were present in Earth's atmosphere before life developed more than 3.8 billion years ago, absorbing the destructive ultraviolet radiation from the Sun, thus acting as 'prebiotic ozone' to preserve astrobiologically important molecules on Titan. Compared to Earth, Titan's low surface temperature of 94 K and the absence of liquid water preclude the evolution of biological chemistry as we know it. Exactly because of these low temperatures, Titan provides us with a unique prebiotic 'atmospheric laboratory' yielding vital clues - at the frozen stage - on the likely chemical composition of the atmosphere of the primitive Earth. However, the underlying chemical processes, which initiate the haze formation from simple molecules, have been not understood well to date.

Introductory quantum chemistry

International Nuclear Information System (INIS)

Chandra, A.K.

1974-01-01

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

Activation analysis in water chemistry

International Nuclear Information System (INIS)

Szabo, A.; Toth, A.

1978-01-01

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

First 25-hydroxyvitamin D assay for general chemistry analyzers.

Science.gov (United States)

Saida, Fakhri B; Chen, Xiaoru; Tran, Kiet; Dou, Chao; Yuan, Chong

2015-03-01

25-Hydroxyvitamin D [25(OH)D], the predominant circulating form of vitamin D, is an accurate indicator of the general vitamin D status of an individual. Because vitamin D deficiencies have been linked to several pathologies (including osteoporosis and rickets), accurate monitoring of 25(OH)D levels is becoming increasingly important in clinical settings. Current 25(OH)D assays are either chromatographic or immunoassay-based assays. These assays include HPLC, liquid chromatography-tandem mass spectrometry (LC-MS/MS), enzyme-immunosorbent, immunochemiluminescence, immunofluorescence and radioimmunoassay. All these assays use heterogeneous formats that require phase separation and special instrumentations. In this article, we present an overview of these assays and introduce the first homogeneous assay of 25(OH)D for use on general chemistry analyzers. A special emphasis is put on the unique challenges posed by the 25(OH)D analyte. These challenges include a low detection limit, the dissociation of the analyte from its serum transporter and the inactivation of various binding proteins without phase separation steps.

Design of a Dynamic Undergraduate Green Chemistry Course

Science.gov (United States)

Kennedy, Sarah A.

2016-01-01

The green chemistry course taught at Westminster College (PA) incorporates nontraditional teaching techniques and texts to educate future chemists about the importance of using green chemistry principles. The course is designed to introduce green chemistry concepts and demonstrate their inherent necessity by discussing historical missteps by the…

The radiation chemistry of heterogeneous and homogeneous nitrogen and water systems

International Nuclear Information System (INIS)

Linacre, J.K.; Marsh, W.R.

1981-06-01

Measurements were made of the radiation chemical products such as nitric acid formed when nitrogen gas mixtures in the presence of water vapour and liquid were irradiated with the mixed neutron/gamma field of the BEPO reactor to doses of ca 10 21 to 10 23 eVg -1 . The water was analysed for NO 3 - , NO 2 - and NH 4 + ions, also for H 2 O 2 , NH 2 OH and N 2 H 4 . The investigation was aimed at obtaining information relevant to the DIDO and PLUTO reactors, but the results are of more general interest. The results are discussed in terms of reactions to be expected, especially those of N atoms, and are compared with those of other work on radiation and gas discharge chemistry. (author)

Polymerization of aliphatic alkynes with heterogeneous Mo catalysts supported on mesoporous molecular sieves

Czech Academy of Sciences Publication Activity Database

Balcar, Hynek; Topka, Pavel; Sedláček, J.; Zedník, J.; Čejka, Jiří

2008-01-01

Roč. 46, č. 7 (2008), s. 2593-2599 ISSN 0887-624X R&D Projects: GA ČR GA203/05/2194; GA AV ČR IAA4040411; GA AV ČR KAN100400701 Institutional research plan: CEZ:AV0Z40400503 Keywords : alkyne polymerization * conjugated polymers * metathesis * Mo heterogeneous catalysts Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.821, year: 2008

Spotlight on medicinal chemistry education.

Science.gov (United States)

Pitman, Simone; Xu, Yao-Zhong; Taylor, Peter; Turner, Nicholas; Coaker, Hannah; Crews, Kasumi

2014-05-01

The field of medicinal chemistry is constantly evolving and it is important for medicinal chemists to develop the skills and knowledge required to succeed and contribute to the advancement of the field. Future Medicinal Chemistry spoke with Simone Pitman (SP), Yao-Zhong Xu (YX), Peter Taylor (PT) and Nick Turner (NT) from The Open University (OU), which offers an MSc in Medicinal Chemistry. In the interview, they discuss the MSc course content, online teaching, the future of medicinal chemistry education and The OU's work towards promoting widening participation. SP is a Qualifications Manager in the Science Faculty at The OU. She joined The OU in 1993 and since 1998 has been involved in the Postgraduate Medicinal Chemistry provision at The OU. YX is a Senior Lecturer in Bioorganic Chemistry at The OU. He has been with The OU from 2001, teaching undergraduate courses of all years and chairing the master's course on medicinal chemistry. PT is a Professor of Organic Chemistry at The OU and has been involved with the production and presentation of The OU courses in Science and across the university for over 30 years, including medicinal chemistry modules at postgraduate level. NT is a Lecturer in Analytical Science at The OU since 2009 and has been involved in the production of analytical sciences courses, as well as contributing to the presentation of a number of science courses including medicinal chemistry.

Heterogeneity and Networks

OpenAIRE

Goyal, S.

2018-01-01

This chapter shows that networks can have large and differentiated effects on behavior and then argues that social and economic pressures facilitate the formation of heterogenous networks. Thus networks can play an important role in understanding the wide diversity in human behaviour and in economic outcomes.

Recent Advances in Bio-inorganic Chemistry

Indian Academy of Sciences (India)

Unknown

Bio-inorganic chemistry has developed rapidly in recent years. A number of laboratories in India have made significant contributions to this area. The motivation in bringing out this special issue on Bio-inorganic. Chemistry is to highlight the recent work emerging from India in this important and fascinating interdisci-.

Chemistry and nuclear technology

International Nuclear Information System (INIS)

De Wet, W.J.

1977-01-01

The underlying principles of nuclear sciece and technology as based on the two basic phenomena, namely, radioactivity and nuclear reactions, with their relatively large associated energy changes, are outlined. The most important contributions by chemists in the overall historical development are mentioned and the strong position chemistry has attained in these fields is indicated. It is concluded that chemistry as well as many other scientific discplines (apart from general benefits) have largely benefitted from these nuclear developments [af

PWR secondary water chemistry diagnostic system

International Nuclear Information System (INIS)

Miyazaki, S.; Hattori, T.; Yamauchi, S.; Kato, A.; Suganuma, S.; Yoshikawa, T.

1989-01-01

Water chemistry control is one of the most important tasks in order to maintain the reliability of plant equipments and extend operating life of the plant. We developed an advanced water chemistry management system which is able to monitor and diagnose secondary water chemistry. A prototype system had been installed at one plant in Japan since Nov. 1986 in order to evaluate system performance and man-machine interface. The diagnosis system has been successfully tested off line using synthesized plant data for various cases. We are continuing to improve the applicability and develop new technology which make it evaluate steam generator crevice chemistry. (author)

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

Cirrus cloud mimic surfaces in the laboratory: organic acids, bases and NOx heterogeneous reactions

Science.gov (United States)

Sodeau, J.; Oriordan, B.

2003-04-01

CIRRUS CLOUD MIMIC SURFACES IN THE LABORATORY:ORGANIC ACIDS, BASES AND NOX HETEROGENEOUS REACTIONS. B. ORiordan, J. Sodeau Department of Chemistry and Environment Research Institute, University College Cork, Ireland j.sodeau@ucc.ie /Fax: +353-21-4902680 There are a variety of biogenic and anthropogenic sources for the simple carboxylic acids to be found in the troposphere giving rise to levels as high as 45 ppb in certain urban areas. In this regard it is of note that ants of genus Formica produce some 10Tg of formic acid each year; some ten times that produced by industry. The expected sinks are those generally associated with tropospheric chemistry: the major routes studied, to date, being wet and dry deposition. No studies have been carried out hitherto on the role of water-ice surfaces in the atmospheric chemistry of carboxylic acids and the purpose of this paper is to indicate their potential function in the heterogeneous release of atmospheric species such as HONO. The deposition of formic acid on a water-ice surface was studied using FT-RAIR spectroscopy over a range of temperatures between 100 and 165K. In all cases ionization to the formate (and oxonium) ions was observed. The results were confirmed by TPD (Temperature Programmed Desorption) measurements, which indicated that two distinct surface species adsorb to the ice. Potential reactions between the formic acid/formate ion surface and nitrogen dioxide were subsequently investigated by FT-RAIRS. Co-deposition experiments showed that N2O3 and the NO+ ion (associated with water) were formed as products. A mechanism is proposed to explain these results, which involves direct reaction between the organic acid and nitrogen dioxide. Similar experiments involving acetic acid also indicate ionization on a water-ice surface. The results are put into the context of atmospheric chemistry potentially occuring on cirrus cloud surfaces.

Design Technology for Heterogeneous Embedded Systems

CERN Document Server

O'Connor, Ian; Piguet, Christian

2012-01-01

Designing technology to address the problem of heterogeneous embedded systems, while remaining compatible with standard “More Moore” flows, i.e. capable of handling simultaneously both silicon complexity and system complexity, represents one of the most important challenges facing the semiconductor industry today. While the micro-electronics industry has built its own specific design methods to focus mainly on the management of complexity through the establishment of abstraction levels, the emergence of device heterogeneity requires new approaches enabling the satisfactory design of physically heterogeneous embedded systems for the widespread deployment of such systems. This book, compiled largely from a set of contributions from participants of past editions of the Winter School on Heterogeneous Embedded Systems Design Technology (FETCH), proposes a broad and holistic overview of design techniques used to tackle the various facets of heterogeneity in terms of technology and opportunities at the physical ...

Heterogeneity in the WTP for recreational access

DEFF Research Database (Denmark)

Campbell, Danny; Vedel, Suzanne Elizabeth; Thorsen, Bo Jellesmark

2014-01-01

In this study we have addressed appropriate modelling of heterogeneity in willingness to pay (WTP) for environmental goods, and have demonstrated its importance using a case of forest access in Denmark. We compared WTP distributions for four models: (1) a multinomial logit model, (2) a mixed logit...... model assuming a univariate Normal distribution, (3) or assuming a multivariate Normal distribution allowing for correlation across attributes, and (4) a mixture of two truncated Normal distributions, allowing for correlation among attributes. In the first two models mean WTP for enhanced access...... was negative. However, models accounting for preference heterogeneity found a positive mean WTP, but a large sub-group with negative WTP. Accounting for preference heterogeneity can alter overall conclusions, which highlights the importance of this for policy recommendations....

Promoting sustainability through green chemistry

Energy Technology Data Exchange (ETDEWEB)

Kirchhoff, Mary M. [American Chemical Society, 1155 Sixteenth Street, NW, Washington, DC 20036 (United States)

2005-06-15

Green chemistry is an important tool in achieving sustainability. The implementation of green chemistry, the design of chemical products and processes that reduce or eliminate the use and generation of hazardous substances, is essential if the expanding global population is to enjoy an increased standard of living without having a negative impact on the health of the planet. Cleaner technologies will allow the chemical enterprise to provide society with the goods and services on which it depends in an environmentally responsible manner. Green chemistry provides solutions to such global challenges as climate change, sustainable agriculture, energy, toxics in the environment, and the depletion of natural resources. A collaborative effort by industry, academia, and government is needed to promote the adoption of the green chemistry technologies necessary to achieve a sustainable society.

Ferroelectrics: A pathway to switchable surface chemistry and catalysis

Science.gov (United States)

Kakekhani, Arvin; Ismail-Beigi, Sohrab; Altman, Eric I.

2016-08-01

It has been known for more than six decades that ferroelectricity can affect a material's surface physics and chemistry thereby potentially enhancing its catalytic properties. Ferroelectrics are a class of materials with a switchable electrical polarization that can affect surface stoichiometry and electronic structure and thus adsorption energies and modes; e.g., molecular versus dissociative. Therefore, ferroelectrics may be utilized to achieve switchable surface chemistry whereby surface properties are not fixed but can be dynamically controlled by, for example, applying an external electric field or modulating the temperature. Several important examples of applications of ferroelectric and polar materials in photocatalysis and heterogeneous catalysis are discussed. In photocatalysis, the polarization direction can control band bending at water/ferroelectric and ferroelectric/semiconductor interfaces, thereby facilitating charge separation and transfer to the electrolyte and enhancing photocatalytic activity. For gas-surface interactions, available results suggest that using ferroelectrics to support catalytically active transition metals and oxides is another way to enhance catalytic activity. Finally, the possibility of incorporating ferroelectric switching into the catalytic cycle itself is described. In this scenario, a dynamic collaboration of two polarization states can be used to drive reactions that have been historically challenging to achieve on surfaces with fixed chemical properties (e.g., direct NOx decomposition and the selective partial oxidation of methane). These predictions show that dynamic modulation of the polarization can help overcome some of the fundamental limitations on catalytic activity imposed by the Sabatier principle.

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.

Innovative Sol-Gel Routes for the Bottom-up Preparation of Heterogeneous Catalysts.

Science.gov (United States)

Debecker, Damien P

2017-12-11

Heterogeneous catalysts can be prepared by different methods offering various levels of control on the final properties of the solid. In this account, we exemplify bottom-up preparation routes that are based on the sol-gel chemistry and allow to tailor some decisive properties of solid catalysts. First, an emulsion templating strategy is shown to lead to macrocellular self-standing monoliths with a macroscopic 3D structure. The latter can be used as catalyst or catalyst supports in flow chemistry, without requiring any subsequent shaping step. Second, the aerosol-assisted sol-gel process allows for the one-step and continuous production of porous mixed oxides. Tailored textural properties can be obtained together with an excellent control on composition and homogeneity. Third, the application of non-hydrolytic sol-gel routes, in the absence of water, leads to mixed oxides with outstanding textural properties and with peculiar surface chemistry. In all cases, the resulting catalytic performance can be correlated with the specificities of the preparation routes presented. This is exemplified in catalytic reactions in the fields of biomass conversion, petro chemistry, enantioselective organic synthesis, and air pollution mitigation. © 2017 The Chemical Society of Japan & Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Laser-pulsed Plasma Chemistry: Laser-initiated Plasma Oxidation Of Niobium

OpenAIRE

Marks R.F.; Pollak R.A.; Avouris Ph.; Lin C.T.; Thefaine Y.J.

1983-01-01

We report the first observation of the chemical modification of a solid surface exposed to an ambient gas plasma initiated by the interaction of laser radiation with the same surface. A new technique, which we designate laser-pulsed plasma chemistry (LPPC), is proposed for activating heterogeneous chemical reactions at solid surfaces in a gaseous ambient by means of a plasma initiated by laser radiation. Results for niobium metal in one atmosphere oxygen demonstrate single-pulse, self-limitin...

Fiber Bundle Model Under Heterogeneous Loading

Science.gov (United States)

Roy, Subhadeep; Goswami, Sanchari

2018-03-01

The present work deals with the behavior of fiber bundle model under heterogeneous loading condition. The model is explored both in the mean-field limit as well as with local stress concentration. In the mean field limit, the failure abruptness decreases with increasing order k of heterogeneous loading. In this limit, a brittle to quasi-brittle transition is observed at a particular strength of disorder which changes with k. On the other hand, the model is hardly affected by such heterogeneity in the limit where local stress concentration plays a crucial role. The continuous limit of the heterogeneous loading is also studied and discussed in this paper. Some of the important results related to fiber bundle model are reviewed and their responses to our new scheme of heterogeneous loading are studied in details. Our findings are universal with respect to the nature of the threshold distribution adopted to assign strength to an individual fiber.

Heterogeneous catalysis : introduction

NARCIS (Netherlands)

Niemantsverdriet, J.W.; Schlögl, R.; Reedijk, J.; Poeppelmeier, K.

2013-01-01

Comprehensive Inorganic Chemistry II reviews and examines topics of relevance to today’s inorganic chemists. Covering more interdisciplinary and high impact areas, Comprehensive Inorganic Chemistry II includes biological inorganic chemistry, solid state chemistry, materials chemistry, and

Transcriptional profiling of dividing tumor cells detects intratumor heterogeneity linked to cell proliferation in a brain tumor model

Czech Academy of Sciences Publication Activity Database

Endaya, B.; Lam, P.Y.P.; Meedeniya, A.C.B.; Neužil, Jiří

2016-01-01

Roč. 10, č. 1 (2016), s. 126-137 ISSN 1574-7891 R&D Projects: GA MŠk(CZ) ED1.1.00/02.0109 Institutional support: RVO:86652036 Keywords : Intratumor heterogeneity * Click chemistry * Proliferation * Gene profiling Subject RIV: FD - Oncology ; Hematology Impact factor: 5.314, year: 2016

Tumor Heterogeneity and Drug Resistance

International Nuclear Information System (INIS)

Kucerova, L.; Skolekova, S.; Kozovska, Z.

2015-01-01

New generation of sequencing methodologies revealed unexpected complexity and genomic alterations linked with the tumor subtypes. This diversity exists across the tumor types, histologic tumor subtypes and subsets of the tumor cells within the same tumor. This phenomenon is termed tumor heterogeneity. Regardless of its origin and mechanisms of development it has a major impact in the clinical setting. Genetic, phenotypic and expression pattern diversity of tumors plays critical role in the selection of suitable treatment and also in the prognosis prediction. Intratumoral heterogeneity plays a key role in the intrinsic and acquired chemoresistance to cytotoxic and targeted therapies. In this review we focus on the mechanisms of intratumoral and inter tumoral heterogeneity and their relationship to the drug resistance. Understanding of the mechanisms and spatiotemporal dynamics of tumor heterogeneity development before and during the therapy is important for the ability to design individual treatment protocols suitable in the given molecular context. (author)

Advanced chemistry management system for nuclear power plants

International Nuclear Information System (INIS)

Maeda, Katsuji; Kobayashi, Yasuhiro; Nagasawa, Katsumi

2000-01-01

Chemistry control in a boiling water reactor (BWR) plant has a close relationship with radiation field buildup, fuel reliability, integrity of plant components and materials, performance of the water treatment systems and radioactive waste generation. Chemistry management in BWR plants has become more important in order to maintain and enhance plant reliability. Adequate chemistry control and management are also essential to establish, maintain, and enhance plant availability. For these reasons, we have developed the advanced chemistry management system for nuclear power plants in order to effectively collect and evaluate a large number of plant operating and chemistry data. (author)

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

Directory of Open Access Journals (Sweden)

A. K. Y. Lee

2016-06-01

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

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

Green heterogeneous wireless networks

CERN Document Server

Ismail, Muhammad; Nee, Hans-Peter; Qaraqe, Khalid A; Serpedin, Erchin

2016-01-01

This book focuses on the emerging research topic "green (energy efficient) wireless networks" which has drawn huge attention recently from both academia and industry. This topic is highly motivated due to important environmental, financial, and quality-of-experience (QoE) considerations. Specifically, the high energy consumption of the wireless networks manifests in approximately 2% of all CO2 emissions worldwide. This book presents the authors’ visions and solutions for deployment of energy efficient (green) heterogeneous wireless communication networks. The book consists of three major parts. The first part provides an introduction to the "green networks" concept, the second part targets the green multi-homing resource allocation problem, and the third chapter presents a novel deployment of device-to-device (D2D) communications and its successful integration in Heterogeneous Networks (HetNets). The book is novel in that it specifically targets green networking in a heterogeneous wireless medium, which re...

Research for the advancement of green chemistry practice: Studies in atmospheric and educational chemistry

Science.gov (United States)

Cullipher, Steven Gene

Green chemistry is a philosophy of chemistry that emphasizes a decreasing dependence on limited non-renewable resources and an increasing focus on preventing pollution byproducts of the chemical industry. In short, it is the discipline of chemistry practiced through the lens of environmental stewardship. In an effort to advance the practice of green chemistry, three studies will be described that have ramifications for the practice. The first study examines the atmospheric oxidation of a hydrofluorinated ether, a third-generation CFC replacement compound with primarily unknown atmospheric degradation products. Determination of these products has the potential to impact decisions on refrigerant usage in the future. The second study examines chemistry students' development of understanding benefits-costs-risks analysis when presented with two real-world scenarios: refrigerant choice and fuel choice. By studying how benefits-costs-risks thinking develops, curricular materials and instructional approaches can be designed to better foster the development of an ability that is both necessary for green chemists and important in daily decision-making for non-chemists. The final study uses eye tracking technology to examine students' abilities to interpret molecular properties from structural information in the context of global warming. Such abilities are fundamental if chemists are to appropriately assess risks and hazards of chemistry practice.

The coupling effect of gas-phase chemistry and surface reactions on oxygen permeation and fuel conversion in ITM reactors

KAUST Repository

Hong, Jongsup; Kirchen, Patrick; Ghoniem, Ahmed F.

2015-01-01

© 2015 Elsevier B.V. The effect of the coupling between heterogeneous catalytic reactions supported by an ion transport membrane (ITM) and gas-phase chemistry on fuel conversion and oxygen permeation in ITM reactors is examined. In ITM reactors

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.

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

An estimating function approach to linkage heterogeneity

Indian Academy of Sciences (India)

Testing linkage heterogeneity between two loci is an important issue in genetics. Currently, there are ... on linkage heterogeneity can help people to better understand complex .... χ2(F − 2) + cχ2 (1), where c is a constant (see Appendix). Here, it can be ..... gin, ancestry, gender, age, etc., for purpose of dividing sub- groups to ...

The importance of radiochemistry and indicator methods for the chemistry of traces

International Nuclear Information System (INIS)

Benes, P.; Majer, V.

1980-01-01

Sensitivity is compared for common chemical methods with respect to nonradioactive materials and methods for determining trace amounts of radioactive substances. The concept of trace amounts is explained and some other notions and terms are discussed from the point of view of chemistry and radiochemistry. The problem of radiation effect is briefly assessed on a sample of material containing trace amounts of a radionuclide and the isotopic effect problem in hydrogen is treated. (M.S.)

On the importance and origin of aromatic interactions in chemistry and biodisciplines

Czech Academy of Sciences Publication Activity Database

Riley, Kevin Eugene; Hobza, Pavel

2013-01-01

Roč. 46, č. 4 (2013), s. 927-936 ISSN 0001-4842 R&D Projects: GA ČR GBP208/12/G016 Grant - others:Operational Program Research and Development for Innovations(XE) CZ.1.05/2.1.00/03.0058 Institutional support: RVO:61388963 Keywords : pi-pi interactions * potential-energy surface * ab-initio calculation * benzene dimer * intermolecular interaction * protein rubredoxin Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 24.348, year: 2013

Heterogeneous catalysis at nanoscale for energy applications

CERN Document Server

Tao, Franklin (Feng); Kamat, Prashant V

2015-01-01

This book presents both the fundamentals concepts and latest achievements of a field that is growing in importance since it represents a possible solution for global energy problems.  It focuses on an atomic-level understanding of heterogeneous catalysis involved in important energy conversion processes. It presents a concise picture for the entire area of heterogeneous catalysis with vision at the atomic- and nano- scales, from synthesis, ex-situ and in-situ characterization, catalytic activity and selectivity, to mechanistic understanding based on experimental exploration and theoretical si

Spatial Heterogeneity of the Forest Canopy Scales with the Heterogeneity of an Understory Shrub Based on Fractal Analysis

Directory of Open Access Journals (Sweden)

Catherine K. Denny

2017-04-01

Full Text Available Spatial heterogeneity of vegetation is an important landscape characteristic, but is difficult to assess due to scale-dependence. Here we examine how spatial patterns in the forest canopy affect those of understory plants, using the shrub Canada buffaloberry (Shepherdia canadensis (L. Nutt. as a focal species. Evergreen and deciduous forest canopy and buffaloberry shrub presence were measured with line-intercept sampling along ten 2-km transects in the Rocky Mountain foothills of west-central Alberta, Canada. Relationships between overstory canopy and understory buffaloberry presence were assessed for scales ranging from 2 m to 502 m. Fractal dimensions of both canopy and buffaloberry were estimated and then related using box-counting methods to evaluate spatial heterogeneity based on patch distribution and abundance. Effects of canopy presence on buffaloberry were scale-dependent, with shrub presence negatively related to evergreen canopy cover and positively related to deciduous cover. The effect of evergreen canopy was significant at a local scale between 2 m and 42 m, while that of deciduous canopy was significant at a meso-scale between 150 m and 358 m. Fractal analysis indicated that buffaloberry heterogeneity positively scaled with evergreen canopy heterogeneity, but was unrelated to that of deciduous canopy. This study demonstrates that evergreen canopy cover is a determinant of buffaloberry heterogeneity, highlighting the importance of spatial scale and canopy composition in understanding canopy-understory relationships.

Nuclear science in the 20th century. Radiation chemistry and radiation processing

International Nuclear Information System (INIS)

Fu Tao; Xu Furong; Zheng Chunkai

2003-01-01

The application of nuclear science and technology to chemistry has led to two important subjects, radiation chemistry and radiation processing, which are playing important roles in many aspects of science and society. We review the development and major applications of radiation chemistry and radiation processing, including the basic physical and chemical mechanisms involved

Coupled petrological-geodynamical modeling of a compositionally heterogeneous mantle plume

Science.gov (United States)

Rummel, Lisa; Kaus, Boris J. P.; White, Richard W.; Mertz, Dieter F.; Yang, Jianfeng; Baumann, Tobias S.

2018-01-01

Self-consistent geodynamic modeling that includes melting is challenging as the chemistry of the source rocks continuously changes as a result of melt extraction. Here, we describe a new method to study the interaction between physical and chemical processes in an uprising heterogeneous mantle plume by combining a geodynamic code with a thermodynamic modeling approach for magma generation and evolution. We pre-computed hundreds of phase diagrams, each of them for a different chemical system. After melt is extracted, the phase diagram with the closest bulk rock chemistry to the depleted source rock is updated locally. The petrological evolution of rocks is tracked via evolving chemical compositions of source rocks and extracted melts using twelve oxide compositional parameters. As a result, a wide variety of newly generated magmatic rocks can in principle be produced from mantle rocks with different degrees of depletion. The results show that a variable geothermal gradient, the amount of extracted melt and plume excess temperature affect the magma production and chemistry by influencing decompression melting and the depletion of rocks. Decompression melting is facilitated by a shallower lithosphere-asthenosphere boundary and an increase in the amount of extracted magma is induced by a lower critical melt fraction for melt extraction and/or higher plume temperatures. Increasing critical melt fractions activates the extraction of melts triggered by decompression at a later stage and slows down the depletion process from the metasomatized mantle. Melt compositional trends are used to determine melting related processes by focusing on K2O/Na2O ratio as indicator for the rock type that has been molten. Thus, a step-like-profile in K2O/Na2O might be explained by a transition between melting metasomatized and pyrolitic mantle components reproducible through numerical modeling of a heterogeneous asthenospheric mantle source. A potential application of the developed method

Site-specific antibody-drug conjugates: the nexus of bioorthogonal chemistry, protein engineering, and drug development.

Science.gov (United States)

Agarwal, Paresh; Bertozzi, Carolyn R

2015-02-18

Antibody-drug conjugates (ADCs) combine the specificity of antibodies with the potency of small molecules to create targeted drugs. Despite the simplicity of this concept, generation of clinically successful ADCs has been very difficult. Over the past several decades, scientists have learned a great deal about the constraints on antibodies, linkers, and drugs as they relate to successful construction of ADCs. Once these components are in hand, most ADCs are prepared by nonspecific modification of antibody lysine or cysteine residues with drug-linker reagents, which results in heterogeneous product mixtures that cannot be further purified. With advances in the fields of bioorthogonal chemistry and protein engineering, there is growing interest in producing ADCs by site-specific conjugation to the antibody, yielding more homogeneous products that have demonstrated benefits over their heterogeneous counterparts in vivo. Here, we chronicle the development of a multitude of site-specific conjugation strategies for assembly of ADCs and provide a comprehensive account of key advances and their roots in the fields of bioorthogonal chemistry and protein engineering.

Mass spectrometry. [in organic chemistry

Science.gov (United States)

Burlingame, A. L.; Shackleton, C. H. L.; Howe, I.; Chizhov, O. S.

1978-01-01

A review of mass spectrometry in organic chemistry is given, dealing with advances in instrumentation and computer techniques, selected topics in gas-phase ion chemistry, and applications in such fields as biomedicine, natural-product studies, and environmental pollution analysis. Innovative techniques and instrumentation are discussed, along with chromatographic-mass spectrometric on-line computer techniques, mass spectral interpretation and management techniques, and such topics in gas-phase ion chemistry as electron-impact ionization and decomposition, photoionization, field ionization and desorption, high-pressure mass spectrometry, ion cyclotron resonance, and isomerization reactions of organic ions. Applications of mass spectrometry are examined with respect to bio-oligomers and their constituents, biomedically important substances, microbiology, environmental organic analysis, and organic geochemistry.

Laboratory Studies of Atmospheric Heterogeneous Chemistry

Science.gov (United States)

Keyser, L. F.; Leu, M-T.

1993-01-01

In the laboratory, ice films formed by freezing from the liquid or more frequently by deposition from the vapor phase have been used to simulate stratospheric cloud surfaces for measurements of reaction and uptake rates. To obtain intrinsic surface reaction probabilities that can be used in atmospheric models, the area of the film surface that actually takes part in the reaction must be known. It is important to know not only the total surface area but also the film morphology in order to determine where and how the surface is situated and, thus, what fraction of it is available for reaction. Information on the structure of these ice films has been obtained by using several experimental methods. In the sections that follow, these methods will be discussed, then the results will be used to construct a working model of the ice films, and finally the model will be applied to an experimental study of HC1 uptake by H_2O ice.

The physical chemistry and materials science behind sinter-resistant catalysts.

Science.gov (United States)

Dai, Yunqian; Lu, Ping; Cao, Zhenming; Campbell, Charles T; Xia, Younan

2018-06-18

Catalyst sintering, a main cause of the loss of catalytic activity and/or selectivity at high reaction temperatures, is a major concern and grand challenge in the general area of heterogeneous catalysis. Although all heterogeneous catalysts are inevitably subjected to sintering during their operation, the immediate and drastic consequences can be mitigated by carefully engineering the catalytic particles and their interactions with the supports. In this tutorial review, we highlight recent progress in understanding the physical chemistry and materials science involved in sintering, including the discussion of advanced techniques, such as in situ microscopy and spectroscopy, for investigating the sintering process and its rate. We also discuss strategies for the design and rational fabrication of sinter-resistant catalysts. Finally, we showcase recent success in improving the thermal stability and thus sinter resistance of supported catalytic systems.

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.

Integration of Computational Chemistry into the Undergraduate Organic Chemistry Laboratory Curriculum

Science.gov (United States)

Esselman, Brian J.; Hill, Nicholas J.

2016-01-01

Advances in software and hardware have promoted the use of computational chemistry in all branches of chemical research to probe important chemical concepts and to support experimentation. Consequently, it has become imperative that students in the modern undergraduate curriculum become adept at performing simple calculations using computational…

BWR plant-to-fleet water chemistry trends -- Past and present

International Nuclear Information System (INIS)

Baston, V.F.; Sundberg, L.L.; Huff, J.M.

1995-01-01

Good water chemistry control is important for the integrity and satisfactory performance of BWRs. A historical review of selected chemistry performance indicators (e.g., conductivity) illustrates the improved chemistry control today relative to that in the past as well as the ability to evaluate these operational indicators

Well-defined silica-supported zirconium–imido complexes mediated heterogeneous imine metathesis

KAUST Repository

Hamzaoui, Bilel

2016-02-15

Upon prolonged thermal exposure under vacuum, a well-defined single-site surface species [(≡Si-O-)Zr(NEt2)3] (1) evolves into an ethylimido complex [(≡Si-O-)Zr(=NEt)NEt2] (2). Reactions of 2 with an imine substrate result in imido/imine (=NRi, R: Et, Ph) exchange (metathesis) with the formation of [(≡Si-O-)Zr(=NPh)NEt2] (3). Compounds 2 and 3 effectively catalyze imine/imine cross-metathesis and are thus considered as the first heterogeneous catalysts active for imine metathesis. © The Royal Society of Chemistry 2016.

Well-defined silica-supported zirconium–imido complexes mediated heterogeneous imine metathesis

KAUST Repository

Hamzaoui, Bilel; Pelletier, Jeremie; Abou-Hamad, Edy; Basset, Jean-Marie

2016-01-01

Upon prolonged thermal exposure under vacuum, a well-defined single-site surface species [(≡Si-O-)Zr(NEt2)3] (1) evolves into an ethylimido complex [(≡Si-O-)Zr(=NEt)NEt2] (2). Reactions of 2 with an imine substrate result in imido/imine (=NRi, R: Et, Ph) exchange (metathesis) with the formation of [(≡Si-O-)Zr(=NPh)NEt2] (3). Compounds 2 and 3 effectively catalyze imine/imine cross-metathesis and are thus considered as the first heterogeneous catalysts active for imine metathesis. © The Royal Society of Chemistry 2016.

Some remarks on applied radiation chemistry

International Nuclear Information System (INIS)

Sakurada, I.

1979-01-01

Radiation induced polymerization and grafting are two important reactions in the processing. Numerous reports concerning these subjects have appeared in the literature. There are, however, still many problems which have been left unsolved or neglected. Several problems will be taken up in this paper and discussed on experiments carried out in Osaka Laboratory for Radiation Chemistry and Department of Polymer Chemistry of Kyoto University. (author)

Micro flow chemistry : new possibilities for synthetic chemists

NARCIS (Netherlands)

Noel, T.; Pignataro, B.

2014-01-01

The use of microreactor technology for continuous-flow chemistry has received a significant amount of attention in recent years. In this chapter, we discuss the important aspects of this technology and its impact on synthetic organic chemistry. Basic engineering principles, unusual reaction

Interest rate rules and macroeconomic stability under heterogeneous expectations

NARCIS (Netherlands)

Anufriev, M.; Assenza, T.; Hommes, C.; Massaro, D.

2009-01-01

The recent macroeconomic literature stresses the importance of managing heterogeneous expectations in the formulation of monetary policy. We use a stylized macro model of Howitt (1992) to investigate inflation dynamics under alternative interest rate rules when agents have heterogeneous expectations

Fundamental atomic plasma chemistry for semiconductor manufacturing process analysis

International Nuclear Information System (INIS)

Ventzek, P.L.G.; Zhang, D.; Stout, P.J.; Rauf, S.; Orlowski, M.; Kudrya, V.; Astapenko, V.; Eletskii, A.

2002-01-01

An absence of fundamental atomic plasma chemistry data (e.g. electron impact cross-sections) hinders the application of plasma process models in semiconductor manufacturing. Of particular importance is excited state plasma chemistry data for metallization applications. This paper describes important plasma chemistry processes in the context of high density plasmas for metallization application and methods for the calculation of data for the study of these processes. Also discussed is the development of model data sets that address computational tractability issues. Examples of model electron impact cross-sections for Ni reduced from multiple collision processes are presented

Intratumor heterogeneity alters most effective drugs in designed combinations.

Science.gov (United States)

Zhao, Boyang; Hemann, Michael T; Lauffenburger, Douglas A

2014-07-22

The substantial spatial and temporal heterogeneity observed in patient tumors poses considerable challenges for the design of effective drug combinations with predictable outcomes. Currently, the implications of tissue heterogeneity and sampling bias during diagnosis are unclear for selection and subsequent performance of potential combination therapies. Here, we apply a multiobjective computational optimization approach integrated with empirical information on efficacy and toxicity for individual drugs with respect to a spectrum of genetic perturbations, enabling derivation of optimal drug combinations for heterogeneous tumors comprising distributions of subpopulations possessing these perturbations. Analysis across probabilistic samplings from the spectrum of various possible distributions reveals that the most beneficial (considering both efficacy and toxicity) set of drugs changes as the complexity of genetic heterogeneity increases. Importantly, a significant likelihood arises that a drug selected as the most beneficial single agent with respect to the predominant subpopulation in fact does not reside within the most broadly useful drug combinations for heterogeneous tumors. The underlying explanation appears to be that heterogeneity essentially homogenizes the benefit of drug combinations, reducing the special advantage of a particular drug on a specific subpopulation. Thus, this study underscores the importance of considering heterogeneity in choosing drug combinations and offers a principled approach toward designing the most likely beneficial set, even if the subpopulation distribution is not precisely known.

Physics and Its Interfaces with Medicinal Chemistry and Drug Design

Science.gov (United States)

Santos, Ricardo N.; Andricopulo, Adriano D.

2013-08-01

Medicinal chemistry is a multidisciplinary subject that integrates knowledge from a variety of fields of science, including, but not limited to, chemistry, biology, and physics. The area of drug design involves the cooperative work of scientists with a diverse range of backgrounds and technical skills, trying to tackle complex problems using an integration of approaches and methods. One important contribution to this field comes from physics through studies that attempt to identify and quantify the molecular interactions between small molecules (drugs) and biological targets (receptors), such as the forces that govern the interactions, the thermodynamics of the drug-receptor interactions, and so on. In this context, the interfaces of physics, medicinal chemistry, and drug design are of vital importance for the development of drugs that not only have the right chemistry but also the right intermolecular properties to interact at the macromolecular level, providing useful information about the principles and molecular mechanisms underlying the therapeutic action of drugs. This article highlights some of the most important connections between physics and medicinal chemistry in the design of new drugs.

A Study of Functional Polymer Colloids Prepared Using Thiol-Ene/Yne Click Chemistry

Science.gov (United States)

Durham, Olivia Z.

-ene chemistry was also employed toward the synthesis of degradable polyanhydride polymer particles. Unlike the aforementioned studies, the approach to particle synthesis was conducted by using a premade thiol-ene polymer. Various linear thiol-ene polyanhydrides were emulsified in water or buffered solutions via sonication. Polymer latex was obtained upon solvent evaporation of the dichloromethane (DCM) solvent used to solubilize the polymer. In this work, variation of polymer composition as well as degradation was examined. Additional experiments included a study of the release of Rhodamine B dye, functionalization of the linear polymers, and studies involving the delay of degradation through the incorporation of crosslinking in the polymer particles. The projects presented herein provide an innovative approach to the synthesis of polymer colloids using thiol-ene and thiol-yne 'click' chemistry in both heterogeneous polymerizations as well as through solvent evaporation of premade polymer solutions. Polymer colloids prove to be an area of great interest for numerous applications that encompass various areas involving biomedical and industrial technologies including paints and coatings, cosmetics, diagnostics, and drug delivery. Improvements in methods of chemical synthesis as well as advances in the tailoring of material properties are of utmost importance for the ever increasing demands of new technologies and educational enlightenment.

Radioanalytical chemistry

International Nuclear Information System (INIS)

1982-01-01

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

Radiation chemistry of the liquid state

International Nuclear Information System (INIS)

Buxton, G.V.

1987-01-01

More is known about the radiation chemistry of water than any other liquid. From a practical viewpoint out knowledge is virtually complete, and water radiolysis now provides a very convenient way of generating an enormous variety of unstable species under well-defined conditions. This facility, coupled with the techniques of pulse radiolysis, has opened up new areas in aqueous inorganic, organic, and biochemistry that cannot be readily studied by thermal or photochemical methods. This chapter is aimed, therefore, at those who wish to use radiolytic methods to generate and study unstable species in aqueous solution. The basic features of the radiation chemistry of water are described first to show how the primary radical and molecular products evolve with time and to delineate the bounds of useful experimental conditions. Next, the properties of the primary radicals are summarized, and examples are given to show how the primary radicals can be converted into secondary radicals, often of a single kind. This is an important aspect of the radiation chemistry of aqueous solutions. Lastly, the impact of our knowledge of the radiation chemistry of water on advances in general chemistry is illustrated by examples from the fields of inorganic and organic chemistry

How sonochemistry contributes to green chemistry?

Science.gov (United States)

Chatel, Gregory

2018-01-01

Based on the analyses of papers from the literature, and especially those published in Ultrasonics Sonochemistry journal, the contribution of sonochemistry to green chemistry area has been discussed here. Important reminders and insights on the good practices and considerations have been made to understand and demonstrate how sonochemistry can continue to efficiently contribute to green chemistry area in the further studies. Copyright © 2017 Elsevier B.V. All rights reserved.

Measuring Heterogeneous Reaction Rates with ATR-FTIR Spectroscopy to Evaluate Chemical Fates in an Atmospheric Environment: A Physical Chemistry and Environmental Chemistry Laboratory Experiment

Science.gov (United States)

Roberts, Jason E.; Zeng, Guang; Maron, Marta K.; Mach, Mindy; Dwebi, Iman; Liu, Yong

2016-01-01

This paper reports an undergraduate laboratory experiment to measure heterogeneous liquid/gas reaction kinetics (ozone-oleic acid and ozone-phenothrin) using a flow reactor coupled to an attenuated total reflectance-Fourier transform infrared (ATR-FTIR) spectrometer. The experiment is specially designed for an upper-level undergraduate Physical…

Role of analytical chemistry in environment and health

International Nuclear Information System (INIS)

Kushwaha, H.S.; Puranik, V.D.; Tripathi, R.M.

2007-01-01

Analytical chemistry plays an important role in the protection of human health from biological, chemical and radiological hazards in the environment. It is highly useful in the areas of environmental health sciences, such as air pollution, environmental chemistry, environmental management; environmental toxicology, industrial hygiene, and water quality

Water chemistry guidance in nuclear power plants in Japan

International Nuclear Information System (INIS)

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

2012-01-01

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

Majority rule on heterogeneous networks

International Nuclear Information System (INIS)

Lambiotte, R

2008-01-01

We focus on the majority rule (MR) applied on heterogeneous networks. When the underlying topology is homogeneous, the system is shown to exhibit a transition from an ordered regime to a disordered regime when the noise is increased. When the network exhibits modular structures, in contrast, the system may also exhibit an asymmetric regime, where the nodes in each community reach an opposite average opinion. Finally, the node degree heterogeneity is shown to play an important role by displacing the location of the order-disorder transition and by making the system exhibit non-equipartition of the average spin

Liquid Structure with Nano-Heterogeneity Promotes Cationic Transport in Concentrated Electrolytes.

Science.gov (United States)

Borodin, Oleg; Suo, Liumin; Gobet, Mallory; Ren, Xiaoming; Wang, Fei; Faraone, Antonio; Peng, Jing; Olguin, Marco; Schroeder, Marshall; Ding, Michael S; Gobrogge, Eric; von Wald Cresce, Arthur; Munoz, Stephen; Dura, Joseph A; Greenbaum, Steve; Wang, Chunsheng; Xu, Kang

2017-10-24

Using molecular dynamics simulations, small-angle neutron scattering, and a variety of spectroscopic techniques, we evaluated the ion solvation and transport behaviors in aqueous electrolytes containing bis(trifluoromethanesulfonyl)imide. We discovered that, at high salt concentrations (from 10 to 21 mol/kg), a disproportion of cation solvation occurs, leading to a liquid structure of heterogeneous domains with a characteristic length scale of 1 to 2 nm. This unusual nano-heterogeneity effectively decouples cations from the Coulombic traps of anions and provides a 3D percolating lithium-water network, via which 40% of the lithium cations are liberated for fast ion transport even in concentration ranges traditionally considered too viscous. Due to such percolation networks, superconcentrated aqueous electrolytes are characterized by a high lithium-transference number (0.73), which is key to supporting an assortment of battery chemistries at high rate. The in-depth understanding of this transport mechanism establishes guiding principles to the tailored design of future superconcentrated electrolyte systems.

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)

Surface chemistry: Key to control and advance myriad technologies

Science.gov (United States)

Yates, John T.; Campbell, Charles T.

2011-01-01

This special issue on surface chemistry is introduced with a brief history of the field, a summary of the importance of surface chemistry in technological applications, a brief overview of some of the most important recent developments in this field, and a look forward to some of its most exciting future directions. This collection of invited articles is intended to provide a snapshot of current developments in the field, exemplify the state of the art in fundamental research in surface chemistry, and highlight some possibilities in the future. Here, we show how those articles fit together in the bigger picture of this field. PMID:21245359

Heterogeneous anion-selective membranes: Influence of a water-soluble component in the membrane on the morphology and ionic conductivity

Czech Academy of Sciences Publication Activity Database

Schauer, Jan; Hnát, J.; Brožová, Libuše; Žitka, Jan; Bouzek, K.

401/402, 15 May (2012), s. 83-88 ISSN 0376-7388 R&D Projects: GA MŠk(CZ) 7E08005 EU Projects: European Commission(XE) 212903 - WELTEMP Institutional research plan: CEZ:AV0Z40500505 Keywords : heterogeneous membrane * anion-exchange membrane * membrane morphology Subject RIV: CD - Macromolecular Chemistry Impact factor: 4.093, year: 2012

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

The failure rate dynamics in heterogeneous populations

International Nuclear Information System (INIS)

Cha, Ji Hwan; Finkelstein, Maxim

2013-01-01

Most populations encountered in real world are heterogeneous. In reliability applications, the mixture (observed) failure rate, obviously, can be considered as a measure of ‘average’ quality in these populations. However, in addition to this average measure, some variability characteristics for failure rates can be very helpful in describing the time-dependent changes in quality of heterogeneous populations. In this paper, we discuss variance and the coefficient of variation of the corresponding random failure rate as variability measures for items in heterogeneous populations. Furthermore, there is often a risk that items of poor quality are selected for important missions. Therefore, along with the ‘average quality’ of a population, more ‘conservative’ quality measures should be also defined and studied. For this purpose, we propose the percentile and the tail-mixture of the failure rates as the corresponding conservative measures. Some illustrative examples are given. -- Highlights: ► This paper provides the insight on the variability measures in heterogeneous populations. ► The conservative quality measures in heterogeneous populations are defined. ► The utility of these measures is illustrated by meaningful examples. ► This paper provides a better understanding of the dynamics in heterogeneous populations

Modeling the atmospheric chemistry of TICs

Science.gov (United States)

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

2009-05-01

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

Image-based multiscale mechanical modeling shows the importance of structural heterogeneity in the human lumbar facet capsular ligament.

Science.gov (United States)

Zarei, Vahhab; Liu, Chao J; Claeson, Amy A; Akkin, Taner; Barocas, Victor H

2017-08-01

The lumbar facet capsular ligament (FCL) primarily consists of aligned type I collagen fibers that are mainly oriented across the joint. The aim of this study was to characterize and incorporate in-plane local fiber structure into a multiscale finite element model to predict the mechanical response of the FCL during in vitro mechanical tests, accounting for the heterogeneity in different scales. Characterization was accomplished by using entire-domain polarization-sensitive optical coherence tomography to measure the fiber structure of cadaveric lumbar FCLs ([Formula: see text]). Our imaging results showed that fibers in the lumbar FCL have a highly heterogeneous distribution and are neither isotropic nor completely aligned. The averaged fiber orientation was [Formula: see text] ([Formula: see text] in the inferior region and [Formula: see text] in the middle and superior regions), with respect to lateral-medial direction (superior-medial to inferior-lateral). These imaging data were used to construct heterogeneous structural models, which were then used to predict experimental gross force-strain behavior and the strain distribution during equibiaxial and strip biaxial tests. For equibiaxial loading, the structural model fit the experimental data well but underestimated the lateral-medial forces by [Formula: see text]16% on average. We also observed pronounced heterogeneity in the strain field, with stretch ratios for different elements along the lateral-medial axis of sample typically ranging from about 0.95 to 1.25 during a 12% strip biaxial stretch in the lateral-medial direction. This work highlights the multiscale structural and mechanical heterogeneity of the lumbar FCL, which is significant both in terms of injury prediction and microstructural constituents' (e.g., neurons) behavior.

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.

Handbook of hot atom chemistry

International Nuclear Information System (INIS)

Adloff, J.P.; Matsuura, Tatsuo; Yoshihara, Kenji

1992-01-01

Hot atom chemistry is an increasingly important field, which has contributed significantly to our understanding of many fundamental processes and reactions. Its techniques have become firmly entrenched in numerous disciplines, such as applied physics, biomedical research, and all fields of chemistry. Written by leading experts, this comprehensive handbook encompasses a broad range of topics. Each chapter comprises a collection of stimulating essays, given an in-depth account of the state-of-the-art of the field, and stressing opportunities for future work. An extensive introduction to the whole area, this book provides unique insight into a vast subject, and a clear delineation of its goals, techniques, and recent findings. It also contains detailed discussions of applications in fields as diverse as nuclear medicine, geochemistry, reactor technology, and the chemistry of comets and interstellar grains. (orig.)

Analytical chemistry

International Nuclear Information System (INIS)

Anon.

1985-01-01

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

Sulfonimidamides in Medicinal and Agricultural Chemistry

DEFF Research Database (Denmark)

Chinthakindi, Praveen K; Naicker, Tricia; Thota, Niranjan

2017-01-01

The synthesis and evaluation of structural analogues and isosteres are of central importance in medicinal and agricultural chemistry. The sulfonamide functional group represents one of the most important amide isosteres in contemporary drug design, and about 500 such compounds have overcome both ...

Magic, science and masculinity: marketing toy chemistry sets.

Science.gov (United States)

Al-Gailani, Salim

2009-12-01

At least since the late nineteenth century, toy chemistry sets have featured in standard scripts of the achievement of eminence in science, and they remain important in constructions of scientific identity. Using a selection of these toys manufactured in Britain and the United States, and with particular reference to the two dominant American brands, Gilbert and Chemcraft, this paper suggests that early twentieth-century chemistry sets were rooted in overlapping Victorian traditions of entertainment magic and scientific recreations. As chemistry set marketing copy gradually reoriented towards emphasising scientific modernity, citizenship, discipline and educational value, pre-twentieth-century traditions were subsumed within domestic-and specifically masculine-tropes. These developments in branding strategies point to transformations in both users' engagement with their chemistry sets and the role of scientific toys in domestic play. The chemistry set serves here as a useful tool for measuring cultural change and lay engagement with chemistry.

The water budget of heterogeneous areas : impact of soil and rainfall variability

NARCIS (Netherlands)

Kim, C.P.

1995-01-01

In this thesis the heterogeneity of the soil water budget components is investigated. Heterogeneity of soil hydraulic properties and rainfall rate are taken into account by using stochastic methods. The importance of lateral groundwater flow in causing heterogeneity of the water budget

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…

New Concept of C–H and C–C Bond Activation via Surface Organometallic Chemistry

KAUST Repository

Samantaray, Manoja

2015-08-18

In this chapter we describe the recent applications of well-defined oxidesupported metal alkyls/alkylidenes/alkylidynes and hydrides of group IV, V, and VI transition metals in the field of C–H and C–C bond activation. The activation of ubiquitous C–H and C–C bonds of paraffin is a long-standing challenge because of intrinsic low reactivity. There are many concepts derived from surface organometallic chemistry (SOMC): surface organometallic fragments are always intermediates in heterogeneous catalysis. The study of their synthesis and reactivity is a way to rationalize mechanism of heterogeneous catalysis and to achieve structure activity relationship. By surface organometallic chemistry one can enter any catalytic center by a reaction intermediate leading in fine to single site catalysts. With surface organometallic chemistry one can coordinate to the metal which can play a role in different elementary steps leading for example to C–H activation and Olefin metathesis. Because of the development of SOMC there is a lot of space for the improvement of homogeneous catalysis. After the 1997 discovery of alkane metathesis using silica-supported tantalum hydride by Basset et al. at low temperature (150ºC) the focus in this area was shifted to the discovery of more and more challenging surface complexes active in the application of C–H and C–C bond activation. Here we describe the evolution of well-defined metathesis catalyst with time as well as the effect of support on catalysis. We also describe here which metal–ligand combinations are responsible for a variety of C–H and C–C bond activation.

Coupling aerosol surface and bulk chemistry with a kinetic double layer model (K2-SUB: oxidation of oleic acid by ozone

Directory of Open Access Journals (Sweden)

C. Pfrang

2010-05-01

Full Text Available We present a kinetic double layer model coupling aerosol surface and bulk chemistry (K2-SUB based on the PRA framework of gas-particle interactions (Pöschl-Rudich-Ammann, 2007. K2-SUB is applied to a popular model system of atmospheric heterogeneous chemistry: the interaction of ozone with oleic acid. We show that our modelling approach allows de-convoluting surface and bulk processes, which has been a controversial topic and remains an important challenge for the understanding and description of atmospheric aerosol transformation. In particular, we demonstrate how a detailed treatment of adsorption and reaction at the surface can be coupled to a description of bulk reaction and transport that is consistent with traditional resistor model formulations.

From literature data we have derived a consistent set of kinetic parameters that characterise mass transport and chemical reaction of ozone at the surface and in the bulk of oleic acid droplets. Due to the wide range of rate coefficients reported from different experimental studies, the exact proportions between surface and bulk reaction rates remain uncertain. Nevertheless, the model results suggest an important role of chemical reaction in the bulk and an approximate upper limit of ~10⁻¹¹ cm² s⁻¹ for the surface reaction rate coefficient. Sensitivity studies show that the surface accommodation coefficient of the gas-phase reactant has a strong non-linear influence on both surface and bulk chemical reactions. We suggest that K2-SUB may be used to design, interpret and analyse future experiments for better discrimination between surface and bulk processes in the oleic acid-ozone system as well as in other heterogeneous reaction systems of atmospheric relevance.

Chemistry of plutonium revealed

International Nuclear Information System (INIS)

Connick, R.E.

1992-01-01

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

On the importance of considering heterogeneity in witnesses' competence levels when reconstructing crimes from multiple witness testimonies.

Science.gov (United States)

Waubert de Puiseau, Berenike; Greving, Sven; Aßfalg, André; Musch, Jochen

2017-09-01

Aggregating information across multiple testimonies may improve crime reconstructions. However, different aggregation methods are available, and research on which method is best suited for aggregating multiple observations is lacking. Furthermore, little is known about how variance in the accuracy of individual testimonies impacts the performance of competing aggregation procedures. We investigated the superiority of aggregation-based crime reconstructions involving multiple individual testimonies and whether this superiority varied as a function of the number of witnesses and the degree of heterogeneity in witnesses' ability to accurately report their observations. Moreover, we examined whether heterogeneity in competence levels differentially affected the relative accuracy of two aggregation procedures: a simple majority rule, which ignores individual differences, and the more complex general Condorcet model (Romney et al., Am Anthropol 88(2):313-338, 1986; Batchelder and Romney, Psychometrika 53(1):71-92, 1988), which takes into account differences in competence between individuals. 121 participants viewed a simulated crime and subsequently answered 128 true/false questions about the crime. We experimentally generated groups of witnesses with homogeneous or heterogeneous competences. Both the majority rule and the general Condorcet model provided more accurate reconstructions of the observed crime than individual testimonies. The superiority of aggregated crime reconstructions involving multiple individual testimonies increased with an increasing number of witnesses. Crime reconstructions were most accurate when competences were heterogeneous and aggregation was based on the general Condorcet model. We argue that a formal aggregation should be considered more often when eyewitness testimonies have to be assessed and that the general Condorcet model provides a good framework for such aggregations.

Carbohydrates in Supramolecular Chemistry.

Science.gov (United States)

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

2016-02-24

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

Chemistry for environmental scientists

International Nuclear Information System (INIS)

Moeller, Detlev

2015-01-01

Non-chemists in environmental sciences and engineering (e.g. physicists, biologists, ecologists, geographers, soil scientists, hydrologists, meteorologists, economists, engineers) need chemical basic knowledge for understanding chemical processes in the environment. This book focuses on general and fundamental chemistry (including required physics) such as properties and bonding of matter, chemical kinetics and mechanisms, phase and chemical equilibrium, the basic features of air (gases), water (liquids) and soil (solids) and the most important substances and their reactions in the environment. Selected key environmental chemical processes are shortly characterised in the light of multi-component and multiphase chemistry. This book is also useful for chemists who are beginning work on environmental issues.

Chemistry for environmental scientists

Energy Technology Data Exchange (ETDEWEB)

Moeller, Detlev [Brandenburgische Technische Univ., Berlin (Germany). Lehrstuhl fuer Luftchemie und Luftreinhaltung

2015-07-01

Non-chemists in environmental sciences and engineering (e.g. physicists, biologists, ecologists, geographers, soil scientists, hydrologists, meteorologists, economists, engineers) need chemical basic knowledge for understanding chemical processes in the environment. This book focuses on general and fundamental chemistry (including required physics) such as properties and bonding of matter, chemical kinetics and mechanisms, phase and chemical equilibrium, the basic features of air (gases), water (liquids) and soil (solids) and the most important substances and their reactions in the environment. Selected key environmental chemical processes are shortly characterised in the light of multi-component and multiphase chemistry. This book is also useful for chemists who are beginning work on environmental issues.

Large epidemic thresholds emerge in heterogeneous networks of heterogeneous nodes

Science.gov (United States)

Yang, Hui; Tang, Ming; Gross, Thilo

2015-08-01

One of the famous results of network science states that networks with heterogeneous connectivity are more susceptible to epidemic spreading than their more homogeneous counterparts. In particular, in networks of identical nodes it has been shown that network heterogeneity, i.e. a broad degree distribution, can lower the epidemic threshold at which epidemics can invade the system. Network heterogeneity can thus allow diseases with lower transmission probabilities to persist and spread. However, it has been pointed out that networks in which the properties of nodes are intrinsically heterogeneous can be very resilient to disease spreading. Heterogeneity in structure can enhance or diminish the resilience of networks with heterogeneous nodes, depending on the correlations between the topological and intrinsic properties. Here, we consider a plausible scenario where people have intrinsic differences in susceptibility and adapt their social network structure to the presence of the disease. We show that the resilience of networks with heterogeneous connectivity can surpass those of networks with homogeneous connectivity. For epidemiology, this implies that network heterogeneity should not be studied in isolation, it is instead the heterogeneity of infection risk that determines the likelihood of outbreaks.

Large epidemic thresholds emerge in heterogeneous networks of heterogeneous nodes.

Science.gov (United States)

Yang, Hui; Tang, Ming; Gross, Thilo

2015-08-21

One of the famous results of network science states that networks with heterogeneous connectivity are more susceptible to epidemic spreading than their more homogeneous counterparts. In particular, in networks of identical nodes it has been shown that network heterogeneity, i.e. a broad degree distribution, can lower the epidemic threshold at which epidemics can invade the system. Network heterogeneity can thus allow diseases with lower transmission probabilities to persist and spread. However, it has been pointed out that networks in which the properties of nodes are intrinsically heterogeneous can be very resilient to disease spreading. Heterogeneity in structure can enhance or diminish the resilience of networks with heterogeneous nodes, depending on the correlations between the topological and intrinsic properties. Here, we consider a plausible scenario where people have intrinsic differences in susceptibility and adapt their social network structure to the presence of the disease. We show that the resilience of networks with heterogeneous connectivity can surpass those of networks with homogeneous connectivity. For epidemiology, this implies that network heterogeneity should not be studied in isolation, it is instead the heterogeneity of infection risk that determines the likelihood of outbreaks.

Environmental literacy with green chemistry oriented in 21st century learning

Science.gov (United States)

Mitarlis, Ibnu, Suhadi; Rahayu, Sri; Sutrisno

2017-12-01

The aim of this study is to analyze the design of chemistry subject with green chemistry oriented to improve students' environmental literacy as one of the important requirements of 21st century learning. This research used R&D design which consisted of four stages, i.e. preliminary study, the study of literature, development of materials, and expert and empirical validation. This article presents the results of preliminary study and the study of literature. It can be concluded from the results of an analysis that environmental literacy is one of the important components of learning outcomes which should be pursued in 21st century teaching. Philosophy of green chemistry plays an important role to reduce and prevent pollution of environment. Principles of green chemistry can be integrated into learning environment as learning outcomes or nurturant effects of learning.

Iodine chemistry in a reactor regulation

Energy Technology Data Exchange (ETDEWEB)

Powers, D A [Nuclear Regulatory Commission, Washington, DC (United States). Advisory Committee on Reactor Safeguards

1996-12-01

Radioactive iodine has always been an important consideration in the regulation of nuclear power reactors to assure the health and safety of the public. Regulators adopted conservatively bounding predictions of iodine behavior in the earliest days of the development of nuclear power because there was so little known about either accidents or the chemistry of iodine. Today there is a flood of new information and understanding of the chemistry of iodine under reactor accident conditions. This paper offers some thoughts on how the community of scientists engaged in the study of iodine chemistry can present the results of their work so that it is more immediately adopted by the regulator. It is suggested that the scientific community consider the concept of consensus standards so effectively used within the engineering community to define the status of the study of radioactive iodine chemistry for reactor safety. (author) 9 refs.

Iodine chemistry in a reactor regulation

International Nuclear Information System (INIS)

Powers, D.A.

1996-01-01

Radioactive iodine has always been an important consideration in the regulation of nuclear power reactors to assure the health and safety of the public. Regulators adopted conservatively bounding predictions of iodine behavior in the earliest days of the development of nuclear power because there was so little known about either accidents or the chemistry of iodine. Today there is a flood of new information and understanding of the chemistry of iodine under reactor accident conditions. This paper offers some thoughts on how the community of scientists engaged in the study of iodine chemistry can present the results of their work so that it is more immediately adopted by the regulator. It is suggested that the scientific community consider the concept of consensus standards so effectively used within the engineering community to define the status of the study of radioactive iodine chemistry for reactor safety. (author) 9 refs

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...

Molecular surface science of heterogeneous catalysis. History and perspective

International Nuclear Information System (INIS)

Somorjai, G.A.

1983-08-01

A personal account is given of how the author became involved with modern surface science and how it was employed for studies of the chemistry of surfaces and heterogeneous catalysis. New techniques were developed for studying the properties of the surface monolayers: Auger electron spectroscopy, LEED, XPS, molecular beam surface scattering, etc. An apparatus was developed and used to study hydrocarbon conversion reactions on Pt, CO hydrogenation on Rh and Fe, and NH 3 synthesis on Fe. A model has been developed for the working Pt reforming catalyst. The three molecular ingredients that control catalytic properties are atomic surface structure, an active carbonaceous deposit, and the proper oxidation state of surface atoms. 40 references, 21 figures

Molecular surface science of heterogeneous catalysis. History and perspective

Energy Technology Data Exchange (ETDEWEB)

Somorjai, G.A.

1983-08-01

A personal account is given of how the author became involved with modern surface science and how it was employed for studies of the chemistry of surfaces and heterogeneous catalysis. New techniques were developed for studying the properties of the surface monolayers: Auger electron spectroscopy, LEED, XPS, molecular beam surface scattering, etc. An apparatus was developed and used to study hydrocarbon conversion reactions on Pt, CO hydrogenation on Rh and Fe, and NH/sub 3/ synthesis on Fe. A model has been developed for the working Pt reforming catalyst. The three molecular ingredients that control catalytic properties are atomic surface structure, an active carbonaceous deposit, and the proper oxidation state of surface atoms. 40 references, 21 figures. (DLC)

Advanced radiation chemistry research: Current status

Energy Technology Data Exchange (ETDEWEB)

NONE

1995-10-01

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

Advanced radiation chemistry research: Current status

International Nuclear Information System (INIS)

1995-10-01

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

Microstructure and surface chemistry of amorphous alloys important to their friction and wear behavior

Science.gov (United States)

Miyoshi, K.; Buckley, D. H.

1986-01-01

An investigation was conducted to examine the microstructure and surface chemistry of amorphous alloys, and their effects on tribological behavior. The results indicate that the surface oxide layers present on amorphous alloys are effective in providing low friction and a protective film against wear in air. Clustering and crystallization in amorphous alloys can be enhanced as a result of plastic flow during the sliding process at a low sliding velocity, at room temperature. Clusters or crystallines with sizes to 150 nm and a diffused honeycomb-shaped structure are produced on sizes to 150 nm and a diffused honeycomb-shaped structure are produced on the wear surface. Temperature effects lead to drastic changes in surface chemistry and friction behavior of the alloys at temperatures to 750 C. Contaminants can come from the bulk of the alloys to the surface upon heating and impart to the surface oxides at 350 C and boron nitride above 500 C. The oxides increase friction while the boron nitride reduces friction drastically in vacuum.

Detection of structural heterogeneity of glass melts

DEFF Research Database (Denmark)

Yue, Yuanzheng

2004-01-01

The structural heterogeneity of both supercooled liquid and molten states of silicate has been studied using calorimetric method. The objects of this study are basaltic glasses and liquids. Two experimental approaches are taken to detect the structural heterogeneity of the liquids. One is the hyp......The structural heterogeneity of both supercooled liquid and molten states of silicate has been studied using calorimetric method. The objects of this study are basaltic glasses and liquids. Two experimental approaches are taken to detect the structural heterogeneity of the liquids. One...... is the hyperquench-anneal-calorimetric scan approach, by which the structural information of a basaltic supercooled liquid and three binary silicate liquids is acquired. Another is the calorimetrically repeated up- and downscanning approach, by which the structural heterogeneity, the intermediate range order...... is discussed. The ordered structure of glass melts above the liquidus temperature is indirectly characterized by use of X-ray diffraction method. The new approaches are of importance for monitoring the glass melting and forming process and for improving the physical properties of glasses and glass fibers....

Effects of low heterogeneity in fast critical assemblies

International Nuclear Information System (INIS)

Belov, S.P.; Dulin, V.A.; Zhukov, A.V.; Kuzin, E.N.; Mozhaev, V.K.; Sitnikov, V.I.; Tsibulya, A.M.; Shapar', A.V.; Zayfert, E.; Kuntsman, B.; Khayntsel'man, B.

1989-01-01

The problem of the low heterogeneity of fast critical assemblies, which are used to simulate fast reactors that are under design, has begun to assume increasing importance as the errors in nuclear data and group constants decrease and the capabilities of design codes improve. The design of the fuel channels of the fast critical assemblies of a BFS differs from that of the fuel subassemblies of a power reactor. The principal difference is that critical assemblies have a more heterogeneous structure than a reactor core does. As a result, the effects of this heterogeneity turn out to be appreciable for a number of functionals. Of particular interest was the measurement of the main neutronic characteristics of a fast reactor in its actual design and in the mockup produced by using BFS facilities. The authors measured and calculated the most important functionals (the ratios of the average cross sections of the main absorbing and fissioning elements, etc.) for both a homogeneous medium (fuel assemblies) and a heterogeneous medium (slugs, tubes) of practically identical composition. The objective of this work was to compare the discrepancy between experiment and calculations for the central functionals in the homogeneous and heterogeneous cases after corrections. This is a check of the accuracy of the simulation of homogeneous cores in fast power reactors by using the tools of the BFS fast critical assembly

µ-reactors for Heterogeneous Catalysis

DEFF Research Database (Denmark)

Jensen, Robert

is described in detail. Since heating and temperature measurement is an extremely important point in heterogeneous catalysis an entire chapter is dedicated to this subject. Three different types of heaters have been implemented and tested both for repeatability and homogeneity of the heating as well...

Chemistry and Heritage

Science.gov (United States)

Vittoria Barbarulo, Maria

2014-05-01

Chemistry is the central science, as it touches every aspect of the society we live in and it is intertwined with many aspects of our culture; in particular, the strong link between Chemistry and Archaeology and Art History is being explored, offering a penetrating insight into an area of growing interest from an educational point of view. A series of vital and vibrant examples (i.e., ancient bronzes composition, colour changes due to natural pigment decomposition, marble degradation) has been proposed, on one hand, to improve student understanding of the relationship between cultural and scientific issues arising from the examination, the conservation, and the maintenance of cultural Heritage, on the other, to illustrate the role of the underlying Chemistry. In some case studies, a survey of the most relevant atmospheric factors, which are involved in the deterioration mechanisms, has also been presented to the students. First-hand laboratory experiences have been providing an invaluable means of discovering the full and varied world of Chemistry. Furthermore, the promotion of an interdisciplinary investigation of a famous painting or fresco, involving the study of its nature and significance, the definition of its historical context, any related literature, the chemical knowledge of the materials used, may be an excellent occasion to experiment the Content and Language Integrated Learning (CLIL). The aim of this approach is to convey the important message that everyone has the responsibility to care for and preserve Heritage for the benefit of present and future generations.

A molecular view of heterogeneous catalysis

DEFF Research Database (Denmark)

Christensen, Claus H.; Nørskov, Jens Kehlet

2008-01-01

The establishment of a molecular view of heterogeneous catalysis has been hampered for a number of reasons. There are, however, recent developments, which show that we are now on the way towards reaching a molecular-scale picture of the way solids work as catalysts. By a combination of new...... by enabling a rational design of new catalysts. We illustrate this important development in heterogeneous catalysis by highlighting recent examples of catalyst systems for which it has been possible to achieve such a detailed understanding. In particular, we emphasize examples where this progress has made...

Chemistry and cosmology.

Science.gov (United States)

Black, John H

2006-01-01

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

Genetic variants influencing phenotypic variance heterogeneity.

Science.gov (United States)

Ek, Weronica E; Rask-Andersen, Mathias; Karlsson, Torgny; Enroth, Stefan; Gyllensten, Ulf; Johansson, Åsa

2018-03-01

Most genetic studies identify genetic variants associated with disease risk or with the mean value of a quantitative trait. More rarely, genetic variants associated with variance heterogeneity are considered. In this study, we have identified such variance single-nucleotide polymorphisms (vSNPs) and examined if these represent biological gene × gene or gene × environment interactions or statistical artifacts caused by multiple linked genetic variants influencing the same phenotype. We have performed a genome-wide study, to identify vSNPs associated with variance heterogeneity in DNA methylation levels. Genotype data from over 10 million single-nucleotide polymorphisms (SNPs), and DNA methylation levels at over 430 000 CpG sites, were analyzed in 729 individuals. We identified vSNPs for 7195 CpG sites (P mean DNA methylation levels. We further showed that variance heterogeneity between genotypes mainly represents additional, often rare, SNPs in linkage disequilibrium (LD) with the respective vSNP and for some vSNPs, multiple low frequency variants co-segregating with one of the vSNP alleles. Therefore, our results suggest that variance heterogeneity of DNA methylation mainly represents phenotypic effects by multiple SNPs, rather than biological interactions. Such effects may also be important for interpreting variance heterogeneity of more complex clinical phenotypes.

The chemistry of plutonium revealed

International Nuclear Information System (INIS)

Connick, R.E.

1990-01-01

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

Application of physical adsorption thermodynamics to heterogeneous chemistry on polar stratospheric clouds

Science.gov (United States)

Elliott, Scott; Turco, Richard P.; Toon, Owen B.; Hamill, Patrick

1991-01-01

Laboratory isotherms for the binding of several nonheterogeneously active atmospheric gases and for HCl to water ice are translated into adsorptive equilibrium constants and surface enthalpies. Extrapolation to polar conditions through the Clausius Clapeyron relation yields coverage estimates below the percent level for N2, Ar, CO2, and CO, suggesting that the crystal faces of type II stratospheric cloud particles may be regarded as clean with respect to these species. For HCl, and perhaps HF and HNO3, estimates rise to several percent, and the adsorbed layer may offer acid or proton sources alternate to the bulk solid for heterogeneous reactions with stratospheric nitrates. Measurements are lacking for many key atmospheric molecules on water ice, and almost entirely for nitric acid trihydrate as substrate. Adsorptive equilibria enter into gas to particle mass flux descriptions, and the binding energy determines rates for desorption of, and encounter between, potential surface reactants.

Heterogeneous Ice Nucleation: Interplay of Surface Properties and Their Impact on Water Orientations.

Science.gov (United States)

Glatz, Brittany; Sarupria, Sapna

2018-01-23

Ice is ubiquitous in nature, and heterogeneous ice nucleation is the most common pathway of ice formation. How surface properties affect the propensity to observe ice nucleation on that surface remains an open question. We present results of molecular dynamics studies of heterogeneous ice nucleation on model surfaces. The models surfaces considered emulate the chemistry of kaolinite, an abundant component of mineral dust. We investigate the interplay of surface lattice and hydrogen bonding properties in affecting ice nucleation. We find that lattice matching and hydrogen bonding are necessary but not sufficient conditions for observing ice nucleation at these surfaces. We correlate this behavior to the orientations sampled by the metastable supercooled water in contact with the surfaces. We find that ice is observed in cases where water molecules not only sample orientations favorable for bilayer formation but also do not sample unfavorable orientations. This distribution depends on both surface-water and water-water interactions and can change with subtle modifications to the surface properties. Our results provide insights into the diverse behavior of ice nucleation observed at different surfaces and highlight the complexity in elucidating heterogeneous ice nucleation.

The secondary water chemistry and its quality specification of PWR steam generators

International Nuclear Information System (INIS)

Zhang Guiqin.

1984-01-01

Reasonably organizing the secondary water chemistry of a steam generator is of great importance for improving thermal-hydraulic characteristics and avoiding or alleviating probability of its internals failures by corrosion. In this paper emphasis is put on importance and task of the secondary water chemistry, the meaning and the control demand for feedwater and boiler water specification. At the same time, the current situation on the secondary water chemistry of PWR steam generators is reviewed generally. (Author)

Global volcanic emissions: budgets, plume chemistry and impacts

Science.gov (United States)

Mather, T. A.

2012-12-01

Over the past few decades our understanding of global volcanic degassing budgets, plume chemistry and the impacts of volcanic emissions on our atmosphere and environment has been revolutionized. Global volcanic emissions budgets are needed if we are to make effective use of regional and global atmospheric models in order to understand the consequences of volcanic degassing on global environmental evolution. Traditionally volcanic SO2 budgets have been the best constrained but recent efforts have seen improvements in the quantification of the budgets of other environmentally important chemical species such as CO2, the halogens (including Br and I) and trace metals (including measurements relevant to trace metal atmospheric lifetimes and bioavailability). Recent measurements of reactive trace gas species in volcanic plumes have offered intriguing hints at the chemistry occurring in the hot environment at volcanic vents and during electrical discharges in ash-rich volcanic plumes. These reactive trace species have important consequences for gas plume chemistry and impacts, for example, in terms of the global fixed nitrogen budget, volcanically induced ozone destruction and particle fluxes to the atmosphere. Volcanically initiated atmospheric chemistry was likely to have been particularly important before biological (and latterly anthropogenic) processes started to dominate many geochemical cycles, with important consequences in terms of the evolution of the nitrogen cycle and the role of particles in modulating the Earth's climate. There are still many challenges and open questions to be addressed in this fascinating area of science.

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.

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)

Identifying and quantifying heterogeneity in high content analysis: application of heterogeneity indices to drug discovery.

Directory of Open Access Journals (Sweden)

Albert H Gough

Full Text Available One of the greatest challenges in biomedical research, drug discovery and diagnostics is understanding how seemingly identical cells can respond differently to perturbagens including drugs for disease treatment. Although heterogeneity has become an accepted characteristic of a population of cells, in drug discovery it is not routinely evaluated or reported. The standard practice for cell-based, high content assays has been to assume a normal distribution and to report a well-to-well average value with a standard deviation. To address this important issue we sought to define a method that could be readily implemented to identify, quantify and characterize heterogeneity in cellular and small organism assays to guide decisions during drug discovery and experimental cell/tissue profiling. Our study revealed that heterogeneity can be effectively identified and quantified with three indices that indicate diversity, non-normality and percent outliers. The indices were evaluated using the induction and inhibition of STAT3 activation in five cell lines where the systems response including sample preparation and instrument performance were well characterized and controlled. These heterogeneity indices provide a standardized method that can easily be integrated into small and large scale screening or profiling projects to guide interpretation of the biology, as well as the development of therapeutics and diagnostics. Understanding the heterogeneity in the response to perturbagens will become a critical factor in designing strategies for the development of therapeutics including targeted polypharmacology.

Investigating the effect of heterogeneity on infill wells

Directory of Open Access Journals (Sweden)

Mahmood Bagheri

2015-12-01

Full Text Available Abstract In recent years, improving oil recovery (IOR has become an important subject for the petroleum industry. One IOR method is infill drilling, which improves hydrocarbon recovery from virgin zones of the reservoir. Determining the appropriate location for the infill wells is very challenging and greatly depends on different factors such as the reservoir heterogeneity. This study aims to investigate the effect of reservoir heterogeneity on the location of infill well. In order to characterize the effect of heterogeneity on infill well locations, some geostatistical methods, e.g., sequential gaussian simulation, have been applied to generate various heterogeneity models. In particular, different correlation ranges (R were used to observe the effect of heterogeneity. Results revealed that an increase in correlation ranges will lead to (1 a higher field oil production total, and (2 a faster expansion of the drainage radius which consequently reduced the need for infill wells. The results of this study will help engineers to appropriately design infill drilling schemes.

The effect of heterogeneity on invasion in spatial epidemics

DEFF Research Database (Denmark)

Neri, Franco M; Bates, Anne; Füchtbauer, Winnie Sophie

2011-01-01

Heterogeneity in host populations is an important factor affecting the ability of a pathogen to invade, yet the quantitative investigation of its effects on epidemic spread is still an open problem. In this paper, we test recent theoretical results, which extend the established “percolation...... paradigm” to the spread of a pathogen in discrete heterogeneous host populations. In particular, we test the hypothesis that the probability of epidemic invasion decreases when host heterogeneity is increased. We use replicated experimental microcosms, in which the ubiquitous pathogenic fungus Rhizoctonia...

Fission product chemistry in severe nuclear reactor accidents

International Nuclear Information System (INIS)

Nichols, A.L.

1990-09-01

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

Horizons of organic and organoelemental chemistry. 7. All-Russian conference on organometallic chemistry. Program and summaries of communications. V. 1

International Nuclear Information System (INIS)

1999-01-01

Abstracts of the seventh All-Russian conference on organometallic chemistry are presented. The synthesis of organometallic compounds of rare earth, transition elements, the synthesis of organic boron compounds are played an important role in modern organic chemistry and the main part of reports are devoted to these problems. Methods of labelling by radioactive isotopes of organic compounds used in medicine are discussed

Modules for Introducing Organometallic Reactions: A Bridge between Organic and Inorganic Chemistry

Science.gov (United States)

Schaller, Chris P.; Graham, Kate J.; Johnson, Brian J.

2015-01-01

Transition metal organometallic reactions have become increasingly important in the synthesis of organic molecules. A new approach has been developed to introduce organometallic chemistry, along with organic and inorganic chemistry, at the foundational level. This change highlights applications of organometallic chemistry that have dramatically…

Effects of Heterogeneous Social Interactions on Flocking Dynamics

Science.gov (United States)

Miguel, M. Carmen; Parley, Jack T.; Pastor-Satorras, Romualdo

2018-02-01

Social relationships characterize the interactions that occur within social species and may have an important impact on collective animal motion. Here, we consider a variation of the standard Vicsek model for collective motion in which interactions are mediated by an empirically motivated scale-free topology that represents a heterogeneous pattern of social contacts. We observe that the degree of order of the model is strongly affected by network heterogeneity: more heterogeneous networks show a more resilient ordered state, while less heterogeneity leads to a more fragile ordered state that can be destroyed by sufficient external noise. Our results challenge the previously accepted equivalence between the static Vicsek model and the equilibrium X Y model on the network of connections, and point towards a possible equivalence with models exhibiting a different symmetry.

Chloride Transport in Heterogeneous Formation

Science.gov (United States)

Mukherjee, A.; Holt, R. M.

2017-12-01

The chloride mass balance (CMB) is a commonly-used method for estimating groundwater recharge. Observations of the vertical distribution of pore-water chloride are related to the groundwater infiltration rates (i.e. recharge rates). In CMB method, the chloride distribution is attributed mainly to the assumption of one dimensional piston flow. In many places, however, the vertical distribution of chloride will be influenced by heterogeneity, leading to horizontal movement of infiltrating waters. The impact of heterogeneity will be particularly important when recharge is locally focused. When recharge is focused in an area, horizontal movement of chloride-bearing waters, coupled with upward movement driven by evapotranspiration, may lead to chloride bulges that could be misinterpreted if the CMB method is used to estimate recharge. We numerically simulate chloride transport and evaluate the validity of the CMB method in highly heterogeneous systems. This simulation is conducted for the unsaturated zone of Ogallala, Antlers, and Gatuna (OAG) formations in Andrews County, Texas. A two dimensional finite element model will show the movement of chloride through heterogeneous systems. We expect to see chloride bulges not only close to the surface but also at depths characterized by horizontal or upward movement. A comparative study of focused recharge estimates in this study with available recharge data will be presented.

Selecting automation for the clinical chemistry laboratory.

Science.gov (United States)

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

2007-07-01

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

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

Current organic chemistry

National Research Council Canada - National Science Library

1997-01-01

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

Aquatic Chemistry

International Nuclear Information System (INIS)

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

1987-07-01

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

Combinatorial chemistry

DEFF Research Database (Denmark)

Nielsen, John

1994-01-01

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

Heterogeneous Roles and Heterogeneous Practices: Understanding the Adoption and Uses of Nonprofit Performance Evaluations

Science.gov (United States)

Eckerd, Adam; Moulton, Stephanie

2011-01-01

Evaluating the performance of nonprofit organizations has been of growing importance for the last several decades. Although there is much good that can come out of self-improvement, there is substantial heterogeneity within the sector that calls into question the usefulness of "across the board" evaluation tools. In this article, the authors…

Forensic Chemistry

Science.gov (United States)

Bell, Suzanne

2009-07-01

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

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

International Nuclear Information System (INIS)

Ryan, R.R.

1981-05-01

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

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

Energy Technology Data Exchange (ETDEWEB)

Ryan, R.R. (comp.)

1981-05-01

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

Studies of Heterogenous Palladium and Related Catalysts for Aerobic Oxidation of Primary Alcohols

Science.gov (United States)

Ahmed, Maaz S.

Development of aerobic oxidation methods is of critical importance for the advancement of green chemistry, where the only byproduct produced is water. Recent work by our lab has produced an efficient Pd based heterogenous catalyst capable of preforming the aerobic oxidation of a wide spectrum of alcohols to either carboxylic acid or methyl ester. The well-defined catalyst PdBi 0.35Te0.23/C (PBT/C) catalyst has been shown to can perform the aerobic oxidation of alcohols to carboxylic acids in basic conditions. Additionally, we explored this catalyst for a wide range of alcohols and probed the nature of the selectivity of PBT/C for methyl esterification over other side products. Finally, means by which the catalyst operates with respect to oxidation states of the three components, Pd, Bi, and Te, was probed. Carboxylic acids are an important functional group due to their prevalence in various pharmaceutically active agents, agrochemicals, and commodity scale chemicals. The well-defined catalyst PBT/C catalyst was discovered to be effective for the oxidation of a wide spectrum of alcohols to carboxylic acid. The demonstrated substrate scope and functional group tolerance are the widest reported for an aerobic heterogeneous catalyst. Additionally, the catalyst has been implemented in a packed bed reactor with quantitative yield of benzoic acid maintained throughout a two-day run. Biomass derived 5-(hydroxymethyl)furfural (HMF) is also oxidized to 2,5-furandicarboxylic acid (FDCA) in high yield. Exploration of PBT/C for the oxidative methyl esterification was found to exhibit exquisite selectivity for the initial oxidation of primary alcohol instead of methanol, which is the bulk solvent. We explored this selectivity and conclude that it results from various substrate-surface interactions, which are not attainable by methanol. The primary alcohol can outcompete the methanol for binding on the catalyst surface through various interactions between the side chain of the

Kinetics of Carbaryl Hydrolysis: An Undergraduate Environmental Chemistry Laboratory

Science.gov (United States)

Hawker, Darryl

2015-01-01

Kinetics is an important part of undergraduate environmental chemistry curricula and relevant laboratory exercises are helpful in assisting students to grasp concepts. Such exercises are also useful in general chemistry courses because students can see relevance to real-world issues. The laboratory exercise described here involves determination of…

Optimal resource allocation solutions for heterogeneous cognitive radio networks

Directory of Open Access Journals (Sweden)

Babatunde Awoyemi

2017-05-01

Full Text Available Cognitive radio networks (CRN are currently gaining immense recognition as the most-likely next-generation wireless communication paradigm, because of their enticing promise of mitigating the spectrum scarcity and/or underutilisation challenge. Indisputably, for this promise to ever materialise, CRN must of necessity devise appropriate mechanisms to judiciously allocate their rather scarce or limited resources (spectrum and others among their numerous users. ‘Resource allocation (RA in CRN', which essentially describes mechanisms that can effectively and optimally carry out such allocation, so as to achieve the utmost for the network, has therefore recently become an important research focus. However, in most research works on RA in CRN, a highly significant factor that describes a more realistic and practical consideration of CRN has been ignored (or only partially explored, i.e., the aspect of the heterogeneity of CRN. To address this important aspect, in this paper, RA models that incorporate the most essential concepts of heterogeneity, as applicable to CRN, are developed and the imports of such inclusion in the overall networking are investigated. Furthermore, to fully explore the relevance and implications of the various heterogeneous classifications to the RA formulations, weights are attached to the different classes and their effects on the network performance are studied. In solving the developed complex RA problems for heterogeneous CRN, a solution approach that examines and exploits the structure of the problem in achieving a less-complex reformulation, is extensively employed. This approach, as the results presented show, makes it possible to obtain optimal solutions to the rather difficult RA problems of heterogeneous CRN.

Student selection: are the school-leaving A-level grades in biology and chemistry important?

Science.gov (United States)

Green, A; Peters, T J; Webster, D J

1993-01-01

This study determined the relationships of grades in A-level biology and chemistry with examination success or failure during the medical course. By inspection of medical student records, A-level grades at entry to medical school and examination performance were obtained for 128 (91%) of the students who sat their final MBBCh examination at the University of Wales College of Medicine in June 1988. The majority, 92 (72%), completed their medical school careers with no professional examination failures; 15 failed examinations just in the period up to 2nd MB; 11 failed examinations in the clinical period only and 10 failed examinations in both periods. Whereas grade achieved in A-level chemistry was not associated with undergraduate examination performance, students with a grade A or B in A-level biology were less likely to have problems than the others (21% compared with 47%; the difference of 26% has a 95% confidence interval of 7% to 44%). Specifically, there appears to be a strong relationship between a low grade in biology and difficulties in the preclinical examinations. Moreover, for those who have difficulties at this stage, this association continues later in the course.

Molecular Structure of Salt Solutions: A New View of the Interface with Implications for Heterogeneous Atmospheric Chemistry

Czech Academy of Sciences Publication Activity Database

Jungwirth, Pavel; Tobias, D. J.

2001-01-01

Roč. 105, č. 43 (2001), s. 10468-10472 ISSN 1089-5647 R&D Projects: GA MŠk LN00A032 Institutional research plan: CEZ:AV0Z4040901 Keywords : air-solution interface * salt solutions * molecular dynamics Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.379, year: 2001

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.

Stochastic estimation and simulation of heterogeneities important for transport of contaminants in the unsaturated zone

Energy Technology Data Exchange (ETDEWEB)

Kitteroed, Nils-Otto

1997-12-31

The background for this thesis was the increasing risk of contamination of water resources and the requirement of groundwater protection. Specifically, the thesis implements procedures to estimate and simulate observed heterogeneities in the unsaturated zone and evaluates what impact the heterogeneities may have on the water flow. The broad goal was to establish a reference model with high spatial resolution within a small area and to condition the model using spatially frequent field observations, and the Moreppen site at Oslo`s new major airport was used for this purpose. An approach is presented for the use of ground penetrating radar in which indicator kriging is used to estimate continuous stratigraphical architecture. Kriging is also used to obtain 3D images of soil moisture. A simulation algorithm based on the Karhunen-Loeve expansion is evaluated and a modification of the Karhunen-Loeve simulation is suggested that makes it possible to increase the size of the simulation lattice. This is obtained by kriging interpolation of the eigenfunctions. 250 refs., 40 figs., 7 tabs.

Problem-based learning on quantitative analytical chemistry course

Science.gov (United States)

Fitri, Noor

2017-12-01

This research applies problem-based learning method on chemical quantitative analytical chemistry, so called as "Analytical Chemistry II" course, especially related to essential oil analysis. The learning outcomes of this course include aspects of understanding of lectures, the skills of applying course materials, and the ability to identify, formulate and solve chemical analysis problems. The role of study groups is quite important in improving students' learning ability and in completing independent tasks and group tasks. Thus, students are not only aware of the basic concepts of Analytical Chemistry II, but also able to understand and apply analytical concepts that have been studied to solve given analytical chemistry problems, and have the attitude and ability to work together to solve the problems. Based on the learning outcome, it can be concluded that the problem-based learning method in Analytical Chemistry II course has been proven to improve students' knowledge, skill, ability and attitude. Students are not only skilled at solving problems in analytical chemistry especially in essential oil analysis in accordance with local genius of Chemistry Department, Universitas Islam Indonesia, but also have skilled work with computer program and able to understand material and problem in English.

Supramolecular chemistry and crystal engineering*

Indian Academy of Sciences (India)

Administrator

two important prototypes – the large unit cell of elusive saccharin hydrate, .... tures that are able to guide the rational design of .... methanolyated complex could be regenerated to the ..... turn all of chemistry on its ear, since one of chemis-.

Digital Microdroplet Ejection Technology-Based Heterogeneous Objects Prototyping

OpenAIRE

Li, Na; Yang, Jiquan; Feng, Chunmei; Yang, Jianfei; Zhu, Liya; Guo, Aiqing

2016-01-01

An integrate fabrication framework is presented to build heterogeneous objects (HEO) using digital microdroplets injecting technology and rapid prototyping. The heterogeneous materials part design and manufacturing method in structure and material was used to change the traditional process. The net node method was used for digital modeling that can configure multimaterials in time. The relationship of material, color, and jetting nozzle was built. The main important contributions are to combi...

Kraft lignin chain extension chemistry via propargylation, oxidative coupling, and Claisen rearrangement.

Science.gov (United States)

Sen, Sanghamitra; Sadeghifar, Hasan; Argyropoulos, Dimitris S

2013-10-14

Despite its aromatic and polymeric nature, the heterogeneous, stochastic, and reactive characteristics of softwood kraft lignin seriously limit its potential for thermoplastic applications. Our continuing efforts toward creating thermoplastic lignin polymers are now focused at exploring propargylation derivatization chemistry and its potential as a versatile novel route for the eventual utilization of technical lignins with a significant amount of molecular control. To do this, we initially report the systematic propargylation of softwood kraft lignin. The synthesized derivatives were extensively characterized with thermal methods (DSC, TGA), (1)H, (13)C, and quantitative (31)P NMR and IR spectroscopies. Further on, we explore the versatile nature of the lignin pendant propargyl groups by demonstrating two distinct chain extension chemistries; the solution-based, copper-mediated, oxidative coupling and the thermally induced, solid-state, Claissen rearrangement polymerization chemistries. Overall, we show that it is possible to modulate the reactivity of softwood kraft lignin via a combination of methylation and chain extension providing a rational means for the creation of higher molecular weight polymers with the potential for thermoplastic materials and carbon fibers with the desired control of structure-property relations.

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.

Thirteen textbooks of basic chemistry and their treatment of radioactivity

International Nuclear Information System (INIS)

Mueller, G.; Navarrete, M.; Martinez, T.; Cabrera, L.

2009-01-01

Nuclear chemistry is usually associated with great disasters, especially the atomic bomb; this without reflecting that knowledge of nuclear chemistry has also had many benefits in the field of medicine and health. Whereas in technologically advanced countries, nuclear chemistry is considered to be an important part of the syllabus, including topics such as radioactivity with the emphasis in making conscience in the common citizen of the inherent benefits. (author)

Effect of a Virtual Chemistry Laboratory on Students' Achievement

Science.gov (United States)

Tatli, Zeynep; Ayas, Alipasa

2013-01-01

It is well known that laboratory applications are of significant importance in chemistry education. However, laboratory applications have generally been neglected in recent educational environments for a variety of reasons. In order to address this gap, this study examined the effect of a virtual chemistry laboratory (VCL) on student achievement…

Transition metal chemistry of hydroxy(–OH)-rich molecules ...

Indian Academy of Sciences (India)

Administrator

Appropriately designed hydroxy(–OH) containing Schiff's base and Mannich base molecules have been recently found to be important for development of the coordination chemistry of a number of metal ions in the biomimetic chemistry of metalloenzymes. In this context, our group has studied the coordination role of these ...

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

Science.gov (United States)

Fegley, Bruce, Jr.

1997-12-01

that polyoxymethylene (polymerized formaldehyde or POM) is a constituent of the C- H-O-N particles emitted from comet P/Halley (e.g., Huebner 1987; Huebner et aL 1987; Mitchell et al. 1987). If actually present in the C-H-O-N particles, POM is also a product of disequilibrating processes which took place in the solar nebula and/or in a presolar environment. Taken together, the observations listed above indicate that a variety of disequilibrating processes such as the kinetic inhibition of thermochemical reactions, grain catalyzed chemistry, lightning induced shock chemistry, and photochemistry played an important role in establishing the chemistry and molecular composition of comet P/Halley in particular and presumably cometary material in general. However, the observational data do not by themselves constrain the timing and/or location of these various processes. This paper reviews the relevant observational data and attempts to quantify as far as possible by using current theoretical models and experimental data the relative importance of equilibrium and disequilibrium processes for the chemistry of comets. "Key" experimental and observational measurements which are important for better constraints on cometary origins are proposed. Finally, important measurements to be made by a comet nucleus sample return mission such as Rosetta are also suggested.

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

Water chemistry experiences with VVERs at Kudankulam

International Nuclear Information System (INIS)

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

2015-01-01

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

Waves spontaneously generated by heterogeneity in oscillatory media

Science.gov (United States)

Cui, Xiaohua; Huang, Xiaodong; Hu, Gang

2016-05-01

Wave propagation is an important characteristic for pattern formation and pattern dynamics. To date, various waves in homogeneous media have been investigated extensively and have been understood to a great extent. However, the wave behaviors in heterogeneous media have been studied and understood much less. In this work, we investigate waves that are spontaneously generated in one-dimensional heterogeneous oscillatory media governed by complex Ginzburg-Landau equations; the heterogeneity is modeled by multiple interacting homogeneous media with different system control parameters. Rich behaviors can be observed by varying the control parameters of the systems, whereas the behavior is incomparably simple in the homogeneous cases. These diverse behaviors can be fully understood and physically explained well based on three aspects: dispersion relation curves, driving-response relations, and wave competition rules in homogeneous systems. Possible applications of heterogeneity-generated waves are anticipated.

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

Control and Characterization of Titanium Dioxide Morphology: Applications in Surface Organometallic Chemistry

KAUST Repository

Jeantelot, Gabriel

2014-05-01

Surface Organometallic Chemistry leads to the combination of the high activity and specificity of homogeneous catalysts with the recoverability and practicality of heterogeneous catalysts. Most metal complexes used in this chemistry are grafted on metal oxide supports such as amorphous silica (SiO2) and γ-alumina (Al2O3). In this thesis, we sought to enable the use of titania (TiO2) as a new support for single-site well-defined grafting of metal complexes. This was achieved by synthesizing a special type of anatase-TiO2, bearing a high density of identical hydroxyl groups, through hydrothermal synthesis then post-treatment under high vacuum followed by oxygen flow, and characterized by several analytical techniques including X-ray diffraction, transmission electron microscopy, infrared spectroscopy and nuclear magnetic resonance. Finally, as a proof of concept, the grafting of vanadium oxychloride (VOCl3) was successfully attempted.

Heterogeneous Metal Catalysts for Oxidation Reactions

Directory of Open Access Journals (Sweden)

Md. Eaqub Ali

2014-01-01

Full Text Available Oxidation reactions may be considered as the heart of chemical synthesis. However, the indiscriminate uses of harsh and corrosive chemicals in this endeavor are threating to the ecosystems, public health, and terrestrial, aquatic, and aerial flora and fauna. Heterogeneous catalysts with various supports are brought to the spotlight because of their excellent capabilities to accelerate the rate of chemical reactions with low cost. They also minimize the use of chemicals in industries and thus are friendly and green to the environment. However, heterogeneous oxidation catalysis are not comprehensively presented in literature. In this short review, we clearly depicted the current state of catalytic oxidation reactions in chemical industries with specific emphasis on heterogeneous catalysts. We outlined here both the synthesis and applications of important oxidation catalysts. We believe it would serve as a reference guide for the selection of oxidation catalysts for both industries and academics.

General chemistry courses that can affect achievement: An action research study in developing a plan to improve undergraduate chemistry courses

Science.gov (United States)

Shweikeh, Eman

. Furthermore, improving attitudes and beliefs could be a potential for bringing about successful interventions to general chemistry learning. Importantly, the role of collaboration between chemistry educators is essential to forming instructional strategies. Additionally, shifting paradigms should be given utmost attention, including differences among student engagement in general chemistry, ways in which faculty can modify practices to meet student expectations, and the role of administrators in providing the necessary tools that stimulate chemistry education and research.

Integration of heterogeneous features for remote sensing scene classification

Science.gov (United States)

Wang, Xin; Xiong, Xingnan; Ning, Chen; Shi, Aiye; Lv, Guofang

2018-01-01

Scene classification is one of the most important issues in remote sensing (RS) image processing. We find that features from different channels (shape, spectral, texture, etc.), levels (low-level and middle-level), or perspectives (local and global) could provide various properties for RS images, and then propose a heterogeneous feature framework to extract and integrate heterogeneous features with different types for RS scene classification. The proposed method is composed of three modules (1) heterogeneous features extraction, where three heterogeneous feature types, called DS-SURF-LLC, mean-Std-LLC, and MS-CLBP, are calculated, (2) heterogeneous features fusion, where the multiple kernel learning (MKL) is utilized to integrate the heterogeneous features, and (3) an MKL support vector machine classifier for RS scene classification. The proposed method is extensively evaluated on three challenging benchmark datasets (a 6-class dataset, a 12-class dataset, and a 21-class dataset), and the experimental results show that the proposed method leads to good classification performance. It produces good informative features to describe the RS image scenes. Moreover, the integration of heterogeneous features outperforms some state-of-the-art features on RS scene classification tasks.

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...

Atmospheric Chemistry of Micrometeoritic Organic Compounds

Science.gov (United States)

Kress, M. E.; Belle, C. L.; Pevyhouse, A. R.; Iraci, L. T.

2011-01-01

Micrometeorites approx.100 m in diameter deliver most of the Earth s annual accumulation of extraterrestrial material. These small particles are so strongly heated upon atmospheric entry that most of their volatile content is vaporized. Here we present preliminary results from two sets of experiments to investigate the fate of the organic fraction of micrometeorites. In the first set of experiments, 300 m particles of a CM carbonaceous chondrite were subject to flash pyrolysis, simulating atmospheric entry. In addition to CO and CO2, many organic compounds were released, including functionalized benzenes, hydrocarbons, and small polycyclic aromatic hydrocarbons. In the second set of experiments, we subjected two of these compounds to conditions that simulate the heterogeneous chemistry of Earth s upper atmosphere. We find evidence that meteor-derived compounds can follow reaction pathways leading to the formation of more complex organic compounds.

Radiation chemistry in development and research of radiation biology

International Nuclear Information System (INIS)

Min Rui

2010-01-01

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

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)

Moving Green Chemistry Forward: Networks as a Foundation

Science.gov (United States)

Carter, T.; Lough, G.

2014-12-01

Green chemistry is a growing discipline, but for a variety of reasons, it has not yet become integrated into science curriculum and the greater societal conscience. With its increasing economic benefits to many sectors including business, industry, and academia and its potential to make science more accessible not only to science students but also to the general citizenry, we suggested answers to the questions: Why has greater success not been realized? What are the particular barriers to wider implementation? And what are incentives and ways to move green chemistry forward? We suggest some strategies and options to both increase the use of green chemistry principles and to also increase stakeholders' understanding of the importance and utility of green chemistry in their daily lives. For example, our main suggestions are that an inclusive, multidisciplinary network would aid in coordinating data and in translating the science into user friendly tools, and that an educational component embedded in this greater effort would also serve to move green chemistry forward.

Chemistry for the nuclear energy of the future

International Nuclear Information System (INIS)

Chmielewski, A.G.

2011-01-01

Chemistry - radiochemistry, radiation chemistry and nuclear chemical engineering play a very important role in the nuclear power development. Even at present, the offered technology is well developed, but still several improvements are needed and proposed. These developments concern all stages of the technology; front end, reactor operation (coolant chemistry and installation components decontamination, noble gas release control), back end of fuel cycle, etc. Chemistry for a partitioning and a transmutation is a new challenge for the chemists and chemical engineers. The IV th generation of nuclear reactors cannot be developed without chemical solutions for fuel fabrication, radiation-coolants interaction phenomena understanding and spent fuel/waste treatment technologies elaboration. Radiochemical analytical methods are fundamental for radioecological monitoring of radioisotopes of natural and anthropological origin. This paper addresses just a few subjects and is not a detailed overview of the field, however it illustrates a role of chemistry for a safe and economical nuclear power development. (author)

Molten fluoride fuel salt chemistry

International Nuclear Information System (INIS)

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

1995-01-01

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

What are today's choices for PWRs water chemistry?

International Nuclear Information System (INIS)

Berge, P.

1998-01-01

Water chemistry has always been, from the very beginning of operation of power Pressurized Water Reactors (PWRs), an important factor in determining the integrity of many reactor components. For both the primary and secondary coolant circuits, the parameters to control the quality of the chemistry have been subject to changes in time. These changes were dictated mainly by corrosion problems which required an adjustment of the chemistry, before any modification could be made in the design or the selection of materials for the subsequently built reactors or replacement components. The situation today, despite 40 years of experience, still leaves open different options for the specifications of the chemistry of the circuits. These options are sometimes due to differences in design or materials of the circuits, but more often, to the perception by the plant chemists, of the role of the chemistry on the different phenomena which could affect the operation of their plant. Paul Cohen, who was well known in the nuclear industry for the early development of the chemistry in PWRs in the USA, used to say, 'if the head chemist has changed in a plant, the chemistry will change'. The purpose of this lecture is to discuss some of the options which are offered to the chemist in compliance with the basic principles of the chemistry guidelines. (J.P.N.)

Mass spectrometric production of heterogeneous metal clusters using Knudsen cell

Directory of Open Access Journals (Sweden)

Veljković Filip M.

2016-01-01

Full Text Available Knudsen effusion mass spectrometry or high-temperature method of mass spectrometry for decades gives new information about saturated vapor of hardly volatile compounds and it is an important method in the discovery of many new molecules, radicals, ions and clusters present in the gas phase. Since pioneering works until now, this method has been successfully applied to a large number of systems (ores, oxides, ceramics, glass materials, borides, carbides, sulfides, nitrates, metals, fullerenes, etc which led to the establishment of various research branches such as chemistry of clusters. This paper describes the basic principles of Knudsen cell use for both identification of chemical species created in the process of evaporation and determination of their ionization energies. Depending on detected ions intensities and the partial pressure of each gaseous component, as well as on changes in partial pressure with temperature, Knudsen cell mass spectrometry enables the determination of thermodynamic parameters of the tested system. A special attention is paid to its application in the field of small heterogeneous and homogeneous clusters of alkali metals. Furthermore, experimental results for thermodynamic parameters of some clusters, as well as capabilities of non-standard ways of using Knudsen cells in the process of synthesis of new clusters are presented herein. [Projekat Ministarstva nauke Republike Srbije, br. 172019

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

Science.gov (United States)

Fegley, Bruce, Jr.

1989-01-01

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

Clinical heterogeneity in Fabry disease

Directory of Open Access Journals (Sweden)

G. N. Salogub

2015-01-01

Full Text Available Fabry disease is an X-linked, lysosomal storage disease (OMIM: 301500, caused by α-galactosidase A deficiency, resulting in accumulation of its substrates, glycosphingolipids, primarily – globotriaosylceramide, in the lysosomes of multiple cell types with multi-system clinical manifestations, even within the same family, including abnormalities of the central and peripheral nervous system, kidneys, heart, gastrointestinal tract, lungs, organ of vision. Clinical heterogeneity is often the reason of the delayed diagnosis. Nowadays enzyme replacement therapy has proved its efficiency in the treatment of Fabry disease. Including Fabry disease in the differential diagnosis of a large range of disorders is important because of its wide clinical heterogeneity and the possibility of an earlier intervention with a beneficial treatment.

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

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

International Nuclear Information System (INIS)

Ryan, R.R.

1982-05-01

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

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

Energy Technology Data Exchange (ETDEWEB)

Ryan, R.R. (comp.)

1982-05-01

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

The Power of Non-Hydrolytic Sol-Gel Chemistry: A Review

Directory of Open Access Journals (Sweden)

Ales Styskalik

2017-05-01

Full Text Available This review is devoted to non-hydrolytic sol-gel chemistry. During the last 25 years, non-hydrolytic sol-gel (NHSG techniques were found to be attractive and versatile methods for the preparation of oxide materials. Compared to conventional hydrolytic approaches, the NHSG route allows reaction control at the atomic scale resulting in homogeneous and well defined products. Due to these features and the ability to design specific materials, the products of NHSG reactions have been used in many fields of application. The aim of this review is to present an overview of NHSG research in recent years with an emphasis on the syntheses of mixed oxides, silicates and phosphates. The first part of the review highlights well known condensation reactions with some deeper insights into their mechanism and also presents novel condensation reactions established in NHSG chemistry in recent years. In the second section we discuss porosity control and novel compositions of selected materials. In the last part, the applications of NHSG derived materials as heterogeneous catalysts and supports, luminescent materials and electrode materials in Li-ion batteries are described.

Organic Chemistry Trivia: A Way to Interest Nonchemistry Majors

Science.gov (United States)

Farmer, Steven C.

2011-01-01

The use of in-class stories is an excellent way to keep a class interested in subject matter. Many organic chemistry classes are populated by nonchemistry majors, such as pre-med, pre-pharm, and biology students. Trivia questions are presented that are designed to show how organic chemistry is an important subject to students regardless of their…

One Hundred Years of Peptide Chemistry

Indian Academy of Sciences (India)

Department of Studies in. Chemistry ... tance. Pharmacological studies required synthesis of not only the often .... Ile-His-Pro-Phe) causes increase in blood pressure. a-melano- .... from fish proteins has gained practical importance in the food.

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.

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.

Industrial inorganic chemistry. 2. rev. ed.

International Nuclear Information System (INIS)

Buechner, W.; Schliebs, R.; Winter, G.; Buechel, K.H.

1986-01-01

Inorganic chemistry is a branch of considerable economic and technical importance. Apart from supplying the market with metals, fertilizers, building materials, pigments and glass it is one of the major suppliers of process materials to the organic chemical industry. Many modern products of other industrial sectors (video tapes, optical fibers or silicon chips) could not have been developed and manufactured without the achievements of industrial inorganic chemistry. The publication is the first of its kind to give a compact description of the inorganic chemistry sector. A clearly arranged survey facilitates access to production processes, economic aspects, ecological implications, energy consumption and raw material consumption as well as to many other data and facts. Due to its clear arrangement and the combination of technical and economic facts the book is a valuable source of information. (orig./EF) [de

Water chemistry of the JMTR IASCC irradiation loop system

International Nuclear Information System (INIS)

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

2006-01-01

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

On sub-modularization and morphological heterogeneity in modular robotics

DEFF Research Database (Denmark)

Lyder, A. H.; Stoy, K.; Garciá, R. F. M.

2012-01-01

Modular robots are a kind of robots built from mechatronic modules, which can be assembled in many different ways allowing the modular robot to assume a wide range of morphologies and functions. An important question in modular robotics is to which degree modules should be heterogeneous....... In this paper we introduce two contributing factors to heterogeneity namely morphological heterogeneity and sub-functional modularization. Respectively, the ideas are to create modules with significantly different morphologies and to spread sub-functionality across modules. Based on these principles we design...... and implement the Thor robot and evaluate it by participating in the ICRA Planetary Robotic Contingency Challenge. The Thor robot demonstrates that sub-functional modularity and morphological heterogeneity may increase the versatility of modular robots while reducing the complexity of individual modules, which...

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

African Journals Online (AJOL)

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

The "wonderful properties of glass": Liebig's Kaliapparat and the practice of chemistry in glass.

Science.gov (United States)

Jackson, Catherine M

2015-03-01

Everybody knows that glass is and always has been an important presence in chemical laboratories. Yet the very self-evidence of this notion tends to obscure a supremely important change in chemical practice during the early decades of the nineteenth century. This essay uses manuals of specifically chemical glassblowing published between about 1825 and 1835 to show that early nineteenth-century chemists began using glass in distinctly new ways and that their appropriation of glassblowing skill had profoundly important effects on the emerging discipline of chemistry. The new practice of chemistry in glass-exemplified in this essay by Justus Liebig's introduction of a new item of chemical glassware for organic analysis, the Kaliapparat--transformed not merely the material culture of chemistry but also its geography, its pedagogy, and, ultimately, its institutions. Moving chemistry into glass--a change so important that it warrants the term "glassware revolution"--had far-reaching consequences.

The Royal Society of Chemistry and the delivery of chemistry data repositories for the community

Science.gov (United States)

Williams, Antony; Tkachenko, Valery

2014-10-01

Since 2009 the Royal Society of Chemistry (RSC) has been delivering access to chemistry data and cheminformatics tools via the ChemSpider database and has garnered a significant community following in terms of usage and contribution to the platform. ChemSpider has focused only on those chemical entities that can be represented as molecular connection tables or, to be more specific, the ability to generate an InChI from the input structure. As a structure centric hub ChemSpider is built around the molecular structure with other data and links being associated with this structure. As a result the platform has been limited in terms of the types of data that can be managed, and the flexibility of its searches, and it is constrained by the data model. New technologies and approaches, specifically taking into account a shift from relational to NoSQL databases, and the growing importance of the semantic web, has motivated RSC to rearchitect and create a more generic data repository utilizing these new technologies. This article will provide an overview of our activities in delivering data sharing platforms for the chemistry community including the development of the new data repository expanding into more extensive domains of chemistry data.

Bounding the heterogeneous gas uptake on aerosols and ground using resistance model

Science.gov (United States)

Su, H.; Li, M.; Cheng, Y.

2017-12-01

Heterogeneous uptake on aerosols and ground are potential important atmospheric sinks for gases. Different schemes have been used to characterize the dry deposition and heterogeneous aerosol gas uptake, although they share similar characteristics. In this work, we propose a unified resistance model to compare the uptake flux on both ground and aerosols, to identify the dominate heterogeneous process within the planetary boundary layer (PBL). The Gamma(eq) is introduced to represent the reactive uptake coefficient on aerosols when these two processes are equally important. It's shown that Gamma(eq) is proportional to the dry deposition velocity, inversely proportional to aerosol surface area concentration. Under typical regional background condition, Gamma(eq) vary from 1x10-5 to 4x10-4 with gas species, land-use type and season, which indicates that aerosol gas uptake should be included in atmospheric models when uptake coefficient higher than 10-5. We address the importance of heterogeneous gas uptake on aerosols over ground especially for ozone uptake on liquid organic aerosols and for marine PBL atmosphere.

Proceedings of DAE-BRNS third international symposium on materials chemistry

International Nuclear Information System (INIS)

Tyagi, Deepak; Banerjee, Atindra Mohan; Nigam, Sandeep; Varma, Salil; Tripathi, Arvind Kumar; Bharadwaj, Shyamala Rajkumar; Das, Dasarathi

2010-12-01

The present volume consists of the proceedings of the DAE-BRNS Third International Symposium on Materials Chemistry. In order to keep pace with the advancements made in the area of materials chemistry, new topics like materials for energy conversion, biomaterials, carbon based materials, soft condensed materials, thin films, surface chemistry, polymer based materials, organic and organometallics, magnetic materials and high purity materials have been included in this symposium while topics like nuclear materials, nanomaterials and clusters, catalysis, chemical sensors, fuel cell materials and computational research in materials chemistry have been continued as important features of the symposium. Papers relevant to INIS are indexed separately

HOW AGRICULTURAL CHEMISTRY CAN CONTRIBUTE TO DEALING WITH PROBLEMS OF ENVIRONMENTAL POLLUTION

Directory of Open Access Journals (Sweden)

Carlo Emanuele Gessa

2010-08-01

Full Text Available Soil is a complex heterogeneous system whose physical, chemical and biological properties regulate interactions with the chemical species which reach its surface. Soil chemistry is an essential tool for understanding and predicting these interactions. Soil is able to immobilize and transform organic and inorganic molecules by different mechanisms, such as complexing and redox reactions. This behaviour gives soil detoxifying capacities towards pollutants which accumulate in the environment. Pollution by heavy metals is regulated by their solubility in soil solution which in turn depends on soil pH and redox properties and metal speciation. Organic and inorganic colloidal soil fractions can promote the immobilisation, degradation, and diffusion of organic molecules such as agrochemicals, solvents, hydrocarbons and other chemicals which reach the soil by anthropic activities. Predicting the fate of xenobiotics in soil, water, air, and plant ecosystems, the recycling of biomass and the decontamination of polluted soils are of major concern to soil chemistry.

Specification of phase 3 benchmark (Hex-Z heterogeneous and burnup calculation)

International Nuclear Information System (INIS)

Kim, Y.I.

2002-01-01

During the second RCM of the IAEA Co-ordinated Research Project Updated Codes and Methods to Reduce the Calculational Uncertainties of the LMFR Reactivity Effects the following items were identified as important. Heterogeneity will affect absolute core reactivity. Rod worths could be considerably reduced by heterogeneity effects depending on their detailed design. Heterogeneity effects will affect the resonance self-shielding in the treatment of fuel Doppler, steel Doppler and sodium density effects. However, it was considered more important to concentrate on the sodium density effect in order to reduce the calculational effort required. It was also recognized that burnup effects will have an influence on fuel Doppler and sodium worths. A benchmark for the assessment of heterogeneity effect for Phase 3 was defined. It is to be performed for the Hex-Z model of the reactor only. No calculations will be performed for the R-Z model. For comparison with heterogeneous evaluations, the control rod worth will be calculated at the beginning of the equilibrium cycle, based on the homogeneous model. The definitions of rod raised and rod inserted for SHR are given, using the composition numbers

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.

Heterogeneous Oxidation of Atmospheric Organic Aerosol: Kinetics of Changes to the Amount and Oxidation State of Particle-Phase Organic Carbon.

Science.gov (United States)

Kroll, Jesse H; Lim, Christopher Y; Kessler, Sean H; Wilson, Kevin R

2015-11-05

Atmospheric oxidation reactions are known to affect the chemical composition of organic aerosol (OA) particles over timescales of several days, but the details of such oxidative aging reactions are poorly understood. In this study we examine the rates and products of a key class of aging reaction, the heterogeneous oxidation of particle-phase organic species by the gas-phase hydroxyl radical (OH). We compile and reanalyze a number of previous studies from our laboratories involving the oxidation of single-component organic particles. All kinetic and product data are described on a common basis, enabling a straightforward comparison among different chemical systems and experimental conditions. Oxidation chemistry is described in terms of changes to key ensemble properties of the OA, rather than to its detailed molecular composition, focusing on two quantities in particular, the amount and the oxidation state of the particle-phase carbon. Heterogeneous oxidation increases the oxidation state of particulate carbon, with the rate of increase determined by the detailed chemical mechanism. At the same time, the amount of particle-phase carbon decreases with oxidation, due to fragmentation (C-C scission) reactions that form small, volatile products that escape to the gas phase. In contrast to the oxidation state increase, the rate of carbon loss is nearly uniform among most systems studied. Extrapolation of these results to atmospheric conditions indicates that heterogeneous oxidation can have a substantial effect on the amount and composition of atmospheric OA over timescales of several days, a prediction that is broadly in line with available measurements of OA evolution over such long timescales. In particular, 3-13% of particle-phase carbon is lost to the gas phase after one week of heterogeneous oxidation. Our results indicate that oxidative aging represents an important sink for particulate organic carbon, and more generally that fragmentation reactions play a major

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.)

Chemistry Perfumes Your Daily Life

Science.gov (United States)

Fortineau, Anne-Dominique

2004-01-01

A synopsis on the history of perfumery is presented, along with the various processes accessible for obtaining natural perfume constituents, and creation of synthetic chemicals. The important contribution of organic chemists in the invention of perfumes, aspects of fragrance chemistry, and general information on the perfume industry are…

Chemistry without borders: An overview

Science.gov (United States)

As chemistry becomes more globalized, it is important for an organization to be interconnected and adaptable, and for an individual to keep up with changes and latest scientific findings and keep options open. Many of the challenges and the opportunities of globalization are in the areas of jobs, re...

Simplified Model for Reburning Chemistry

DEFF Research Database (Denmark)

Glarborg, Peter; Hansen, Stine

2010-01-01

In solid fuel flames, reburn-type reactions are often important for the concentrations of NOx in the near-burner region. To be able to model the nitrogen chemistry in these flames, it is necessary to have an adequate model for volatile/NO interactions. Simple models consisting of global steps...

Solar fuels generation and molecular systems: is it homogeneous or heterogeneous catalysis?

Science.gov (United States)

Artero, Vincent; Fontecave, Marc

2013-03-21

Catalysis is a key enabling technology for solar fuel generation. A number of catalytic systems, either molecular/homogeneous or solid/heterogeneous, have been developed during the last few decades for both the reductive and oxidative multi-electron reactions required for fuel production from water or CO(2) as renewable raw materials. While allowing for a fine tuning of the catalytic properties through ligand design, molecular approaches are frequently criticized because of the inherent fragility of the resulting catalysts, when exposed to extreme redox potentials. In a number of cases, it has been clearly established that the true catalytic species is heterogeneous in nature, arising from the transformation of the initial molecular species, which should rather be considered as a pre-catalyst. Whether such a situation is general or not is a matter of debate in the community. In this review, covering water oxidation and reduction catalysts, involving noble and non-noble metal ions, we limit our discussion to the cases in which this issue has been directly and properly addressed as well as those requiring more confirmation. The methodologies proposed for discriminating homogeneous and heterogeneous catalysis are inspired in part by those previously discussed by Finke in the case of homogeneous hydrogenation reaction in organometallic chemistry [J. A. Widegren and R. G. Finke, J. Mol. Catal. A, 2003, 198, 317-341].

Per-Olov Löwdin - father of quantum chemistry

Science.gov (United States)

Brändas, Erkki J.

2017-09-01

During 2016, we celebrate the 100th anniversary of the birth of Per-Olov Löwdin. He was appointed to the first Lehrstuhl in quantum chemistry at Uppsala University in 1960. Löwdin introduced quantum chemistry as a field in its own right by formulating its goals, establishing fundamental concepts, like the correlation energy, the method of configuration interaction, reduced density matrices, natural spin orbitals, charge and bond order matrices, symmetric orthogonalisation, and generalised self-consistent fields. His exposition of partitioning technique and perturbation theory, wave and reaction operators and associated non-linear summation techniques, introduced mathematical rigour and deductive order in the interpretative organisation of the new field. He brought the first computer to Uppsala University and pioneered the initiation of 'electronic brains' and anticipated their significance for quantum chemistry. Perhaps his single most influential contribution to the field was his education of two generations of future faculty in quantum chemistry through Summer Schools in the Scandinavian Mountains, Winter Institutes at Sanibel Island in the Gulf of Mexico. Per-Olov Löwdin founded the book series Advances in Quantum Chemistry and the International Journal of Quantum Chemistry. The evolution of quantum chemistry is appraised, starting from a collection of cross-disciplinary applications of quantum mechanics to the technologically advanced and predominant field of today, virtually used in all branches of chemistry. The scientific work of Per-Olov Löwdin has been crucial for the development of this new important province of science.

Grafting of Polycaprolactone on Oxidized Nanocelluloses by Click Chemistry

Directory of Open Access Journals (Sweden)

Claude Daneault

2013-03-01

Full Text Available The main objective of this work is the grafting of polycaprolactone diol (PCL on the surface of oxidized nanocelluloses (ONC in order to enhance the compatibility between the hydrophilic cellulose nanofibres and the hydrophobic polymer matrix. This grafting was successfully realized with a new strategy known as click chemistry. In this context, the oxidized nanocelluloses bearing alkyl groups (ONC-PR were prepared by reacting amino groups of propargylamine (PR with carboxyl groups of ONC. In parallel, PCL was converted into azido-polycaprolactone (PCL-N3 in two steps: (i tosylation of polycaprolactone (PCL-OTs and (ii conversion of PCL-OTs into PCL-N3 by nucleophilic displacement using sodium azide. Finally, ONC-PR was reacted with PCL-N3 in heterogeneous conditions through click chemistry in order to prepare polycaprolactone grafted oxidized nanocellulose (ONC-g-PCL, which could be suitable for improving the interfacial adhesion in the composite materials. The grafted samples were characterized by transmission electron microscopy and by Fourier transform infrared spectroscopy (FTIR, X-ray photoelectron spectroscopy (XPS and Carbon-13 nuclear magnetic resonance spectroscopy (13C-NMR spectroscopic techniques.

Grafting of Polycaprolactone on Oxidized Nanocelluloses by Click Chemistry

Science.gov (United States)

Benkaddour, Abdelhaq; Jradi, Khalil; Robert, Sylvain; Daneault, Claude

2013-01-01

The main objective of this work is the grafting of polycaprolactone diol (PCL) on the surface of oxidized nanocelluloses (ONC) in order to enhance the compatibility between the hydrophilic cellulose nanofibres and the hydrophobic polymer matrix. This grafting was successfully realized with a new strategy known as click chemistry. In this context, the oxidized nanocelluloses bearing alkyl groups (ONC-PR) were prepared by reacting amino groups of propargylamine (PR) with carboxyl groups of ONC. In parallel, PCL was converted into azido-polycaprolactone (PCL-N3) in two steps: (i) tosylation of polycaprolactone (PCL-OTs) and (ii) conversion of PCL-OTs into PCL-N3 by nucleophilic displacement using sodium azide. Finally, ONC-PR was reacted with PCL-N3 in heterogeneous conditions through click chemistry in order to prepare polycaprolactone grafted oxidized nanocellulose (ONC-g-PCL), which could be suitable for improving the interfacial adhesion in the composite materials. The grafted samples were characterized by transmission electron microscopy and by Fourier transform infrared spectroscopy (FTIR), X-ray photoelectron spectroscopy (XPS) and Carbon-13 nuclear magnetic resonance spectroscopy (13C-NMR) spectroscopic techniques. PMID:28348327

Accounting for heterogeneity in the measurement of hospital performance

OpenAIRE

Philippe K. Widmer; Peter Zweifel; Mehdi Farsi

2011-01-01

With prospective payment of hospitals becoming more common, measuring their performance is gaining in importance. However, the standard cost frontier model yields biased efficiency scores because it ignores technological heterogeneity between hospitals. In this paper, efficiency scores are derived from a random intercept and an extended random parameter frontier model, designed to overcome the problem of unobserved heterogeneity in stochastic frontier analysis. Using a sample of 100 Swiss ...

The coalescence of heterogeneous liquid metal on nano substrate

Science.gov (United States)

Wang, Long; Li, Yifan; Zhou, Xuyan; Li, Tao; Li, Hui

2017-06-01

Molecular dynamics simulation has been performed to study the asymmetric coalescence of heterogeneous liquid metal on graphene. Simulation results show that the anomalies in the drop coalescence is mainly caused by the wettability of heterogeneous liquid metal. The silver atoms incline to distribute on the outer layer of the gold and copper droplets, revealing that the structure is determined by the interaction between different metal atoms. The coalescence and fusion of heterogeneous liquid metal drop can be predicted by comparing the wettability and the atomic mass of metallic liquid drops, which has important implications in the industrial application such as ink-jet printing and metallurgy.

A New Bioinspired Perchlorate Reduction Catalyst with Significantly Enhanced Stability via Rational Tuning of Rhenium Coordination Chemistry and Heterogeneous Reaction Pathway.

Science.gov (United States)

Liu, Jinyong; Han, Mengwei; Wu, Dimao; Chen, Xi; Choe, Jong Kwon; Werth, Charles J; Strathmann, Timothy J

2016-06-07

Rapid reduction of aqueous ClO4(-) to Cl(-) by H2 has been realized by a heterogeneous Re(hoz)2-Pd/C catalyst integrating Re(O)(hoz)2Cl complex (hoz = oxazolinyl-phenolato bidentate ligand) and Pd nanoparticles on carbon support, but ClOx(-) intermediates formed during reactions with concentrated ClO4(-) promote irreversible Re complex decomposition and catalyst deactivation. The original catalyst design mimics the microbial ClO4(-) reductase, which integrates Mo(MGD)2 complex (MGD = molybdopterin guanine dinucleotide) for oxygen atom transfer (OAT). Perchlorate-reducing microorganisms employ a separate enzyme, chlorite dismutase, to prevent accumulation of the destructive ClO2(-) intermediate. The structural intricacy of MGD ligand and the two-enzyme mechanism for microbial ClO4(-) reduction inspired us to improve catalyst stability by rationally tuning Re ligand structure and adding a ClOx(-) scavenger. Two new Re complexes, Re(O)(htz)2Cl and Re(O)(hoz)(htz)Cl (htz = thiazolinyl-phenolato bidentate ligand), significantly mitigate Re complex decomposition by slightly lowering the OAT activity when immobilized in Pd/C. Further stability enhancement is then obtained by switching the nanoparticles from Pd to Rh, which exhibits high reactivity with ClOx(-) intermediates and thus prevents their deactivating reaction with the Re complex. Compared to Re(hoz)2-Pd/C, the new Re(hoz)(htz)-Rh/C catalyst exhibits similar ClO4(-) reduction activity but superior stability, evidenced by a decrease of Re leaching from 37% to 0.25% and stability of surface Re speciation following the treatment of a concentrated "challenge" solution containing 1000 ppm of ClO4(-). This work demonstrates the pivotal roles of coordination chemistry control and tuning of individual catalyst components for achieving both high activity and stability in environmental catalyst applications.

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 ...

General Dialdehyde Click Chemistry for Amine Bioconjugation.

Science.gov (United States)

Elahipanah, Sina; O'Brien, Paul J; Rogozhnikov, Dmitry; Yousaf, Muhammad N

2017-05-17

The development of methods for conjugating a range of molecules to primary amine functional groups has revolutionized the fields of chemistry, biology, and material science. The primary amine is a key functional group and one of the most important nucleophiles and bases used in all of synthetic chemistry. Therefore, tremendous interest in the synthesis of molecules containing primary amines and strategies to devise chemical reactions to react with primary amines has been at the core of chemical research. In particular, primary amines are a ubiquitous functional group found in biological systems as free amino acids, as key side chain lysines in proteins, and in signaling molecules and metabolites and are also present in many natural product classes. Due to its abundance, the primary amine is the most convenient functional group handle in molecules for ligation to other molecules for a broad range of applications that impact all scientific fields. Because of the primary amine's central importance in synthetic chemistry, acid-base chemistry, redox chemistry, and biology, many methods have been developed to efficiently react with primary amines, including activated carboxylic acids, isothiocyanates, Michael addition type systems, and reaction with ketones or aldehydes followed by in situ reductive amination. Herein, we introduce a new traceless, high-yield, fast click-chemistry method based on the rapid and efficient trapping of amine groups via a functionalized dialdehyde group. The click reaction occurs in mild conditions in organic solvents or aqueous media and proceeds in high yield, and the starting dialdehyde reagent and resulting dialdehyde click conjugates are stable. Moreover, no catalyst or dialdehyde-activating group is required, and the only byproduct is water. The initial dialdehyde and the resulting conjugate are both straightforward to characterize, and the reaction proceeds with high atom economy. To demonstrate the broad scope of this new click

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

The link between physics and chemistry in track modelling

International Nuclear Information System (INIS)

Green, N.J.B.; Bolton, C.E.; Spencer-Smith, R.D.

1999-01-01

The physical structure of a radiation track provides the initial conditions for the modelling of radiation chemistry. These initial conditions are not perfectly understood, because there are important gaps between what is provided by a typical track structure model and what is required to start the chemical model. This paper addresses the links between the physics and chemistry of tracks, with the intention of identifying those problems that need to be solved in order to obtain an accurate picture of the initial conditions for the purposes of modelling chemistry. These problems include the reasons for the increased yield of ionisation relative to homolytic bond breaking in comparison with the gas phase. A second area of great importance is the physical behaviour of low-energy electrons in condensed matter (including thermolisation and solvation). Many of these processes are not well understood, but they can have profound effects on the transient chemistry in the track. Several phenomena are discussed, including the short distance between adjacent energy loss events, the molecular nature of the underlying medium, dissociative attachment resonances and the ability of low-energy electrons to excite optically forbidden molecular states. Each of these phenomena has the potential to modify the transient chemistry substantially and must therefore be properly characterised before the physical model of the track can be considered to be complete. (orig.)

Pressure dependence of dynamical heterogeneity in water

International Nuclear Information System (INIS)

Teboul, Victor

2008-01-01

Using molecular dynamics simulations we investigate the effect of pressure on the dynamical heterogeneity in water. We show that the effect of a pressure variation in water is qualitatively different from the effect of a temperature variation on the dynamical heterogeneity in the liquid. We observe a strong decrease of the aggregation of molecules of low mobility together with a decrease of the characteristic time associated with this aggregation. However, the aggregation of the most mobile molecules and the characteristic time of this aggregation are only slightly affected. In accordance with this result, the non-Gaussian parameter shows an important decrease with pressure while the characteristic time t* of the non-Gaussian parameter is only slightly affected. These results highlight then the importance of pressure variation investigations in low temperature liquids on approach to the glass transition

"Drug" Discovery with the Help of Organic Chemistry.

Science.gov (United States)

Itoh, Yukihiro; Suzuki, Takayoshi

2017-01-01

The first step in "drug" discovery is to find compounds binding to a potential drug target. In modern medicinal chemistry, the screening of a chemical library, structure-based drug design, and ligand-based drug design, or a combination of these methods, are generally used for identifying the desired compounds. However, they do not necessarily lead to success and there is no infallible method for drug discovery. Therefore, it is important to explore medicinal chemistry based on not only the conventional methods but also new ideas. So far, we have found various compounds as drug candidates. In these studies, some strategies based on organic chemistry have allowed us to find drug candidates, through 1) construction of a focused library using organic reactions and 2) rational design of enzyme inhibitors based on chemical reactions catalyzed by the target enzyme. Medicinal chemistry based on organic chemical reactions could be expected to supplement the conventional methods. In this review, we present drug discovery with the help of organic chemistry showing examples of our explorative studies on histone deacetylase inhibitors and lysine-specific demethylase 1 inhibitors.

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

International Nuclear Information System (INIS)

Sato, Masatoshi

2014-01-01

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

Remarks on theoretical hot-atom chemistry

International Nuclear Information System (INIS)

Inokuti, Mitio

1993-01-01

The publication of the 'Handbook of Hot Atom Chemistry', following the earlier volume 'Recent Trend and Application', was a major milestone in physical chemistry. Theoretical treatments of hot atom chemistry must address two classes of problems. The first class concerns the individual collisions of hot atoms with other atoms or molecules. The second class concerns the description of the consequences of the many collisions of hot atoms and their chemical environment. Most of the remarks pertain to the problems of the first class. The central issue is the adiabaticity of nuclear motions versus electronic motions. To be precise, any atomic core motion should be mentioned rather than pure nuclear motion, because tightly bound core electrons are largely irrelevant to the chemistry. When nuclear motions are sufficiently slow, or for other reasons that can be regarded as adiabatic, the collision problem is basically straightforward, therefore, interatomic and intermolecular forces can be assumed, and their consequences for nuclear motions are calculable in principle. In the case of non-adiabaticity being important, much more difficult problems arise, and it is briefly discussed, and the work by Phelps is cited. (K.I.)

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.

Quantification of Spatial Heterogeneity in Old Growth Forst of Korean Pine

Science.gov (United States)

Wang Zhengquan; Wang Qingcheng; Zhang Yandong

1997-01-01

Spatial hetergeneity is a very important issue in studying functions and processes of ecological systems at various scales. Semivariogram analysis is an effective technique to summarize spatial data, and quantification of sptail heterogeneity. In this paper, we propose some principles to use semivariograms to characterize and compare spatial heterogeneity of...

Technetium chemistry

International Nuclear Information System (INIS)

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

1996-01-01

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

Chemistry of Technetium

International Nuclear Information System (INIS)

Omori, Takashi

2001-01-01

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

Some applications of radiation chemistry to biochemistry and radiobiology

International Nuclear Information System (INIS)

Wardman, P.

1987-01-01

In this chapter illustrate the use of radiation chemistry as a tool in investigating biologically important radical reactions, and also outline some studies of models for radiobiological damage. Because aqueous solutions usually offer the most important matrix, an appreciation of the main features of water radiolysis will be essential. Most of the illustrations involve pulse radiolysis, and some familiarity with chemical kinetics is assumed. In addition to these and other chapters in this book, readers find the proceedings of a recent NATO Advanced Study Institute most useful. The authors shall not try to review here all the applications of radiation chemistry to biochemistry and biology, but they will illustrate, using selected examples, the main principles and practical advantages and problems. Another recent volume covers the main contributions of flash photolysis and pulse radiolysis to the chemistry of biology and medicine, complementing earlier reviews. Papers from symposia on radical processes in radiobiology and carcinogenesis, and on super-oxide dismutases, and proceedings of recent international congresses of radiation research, together with the other publications referred to above will enable the reader to gain a comprehensive overview of the role of radicals in biological processes and the contributions of radiation chemistry

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

Heterogeneous structure and its effect on properties and electrochemical behavior of ion-exchange membrane

Science.gov (United States)

Ariono, D.; Khoiruddin; Subagjo; Wenten, I. G.

2017-02-01

Generally, commercially available ion-exchange membrane (IEM) can be classified into homogeneous and heterogeneous membranes. The classification is based on degree of heterogeneity in membrane structure. It is well known that the heterogeneity greatly affects the properties of IEM, such as conductivity, permselectivity, chemical and mechanical stability. The heterogeneity also influences ionic and electrical current transfer behavior of IEM-based processes during their operation. Therefore, understanding the role of heterogeneity in IEM properties is important to provide preliminary information on their operability and applicability. In this paper, the heterogeneity and its effect on IEM properties are reviewed. Some models for describing the heterogeneity of IEM and methods for characterizing the degree of heterogeneity are discussed. In addition, the influence of heterogeneity on the performance of IEM-based processes and their electrochemical behavior are described.

Chemistry control challenges in a supercritical water-cooled reactor

International Nuclear Information System (INIS)

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

2009-01-01

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

A Supramolecular Approach to Medicinal Chemistry: Medicine Beyond the Molecule

Science.gov (United States)

Smith, David K.

2005-03-01

This article focuses on the essential roles played by intermolecular forces in mediating the interactions between chemical molecules and biological systems. Intermolecular forces constitute a key topic in chemistry programs, yet can sometimes seem disconnected from real-life applications. However, by taking a "supramolecular" view of medicinal chemistry and focusing on interactions between molecules, it is possible to come to a deeper understanding of recent developments in medicine. This allows us to gain a real insight into the interface between biology and chemistry—an interdisciplinary area that is crucial for the development of modern medicinal products. This article emphasizes a conceptual view of medicinal chemistry, which has important implications for the future, as the supramolecular approach to medicinal-chemistry products outlined here is rapidly allowing nanotechnology to converge with medicine. In particular, this article discusses recent developments including the rational design of drugs such as Relenza and Tamiflu, the mode of action of vancomycin, and the mechanism by which bacteria develop resistance, drug delivery using cyclodextrins, and the importance of supramolecular chemistry in understanding protein aggregation diseases such as Alzheimer's and Creutzfield Jacob. The article also indicates how taking a supramolecular approach will enable the development of new nanoscale medicines.

Research on Heterogeneous Data Exchange based on XML

Science.gov (United States)

Li, Huanqin; Liu, Jinfeng

Integration of multiple data sources is becoming increasingly important for enterprises that cooperate closely with their partners for e-commerce. OLAP enables analysts and decision makers fast access to various materialized views from data warehouses. However, many corporations have internal business applications deployed on different platforms. This paper introduces a model for heterogeneous data exchange based on XML. The system can exchange and share the data among the different sources. The method used to realize the heterogeneous data exchange is given in this paper.

Selective host molecules obtained by dynamic adaptive chemistry.

Science.gov (United States)

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

2014-02-17

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

Character education in perspective of chemistry pre-service teacher

Science.gov (United States)

Merdekawati, Krisna

2017-12-01

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

Quantifying heterogeneity in human tumours using MRI and PET.

Science.gov (United States)

Asselin, Marie-Claude; O'Connor, James P B; Boellaard, Ronald; Thacker, Neil A; Jackson, Alan

2012-03-01

Most tumours, even those of the same histological type and grade, demonstrate considerable biological heterogeneity. Variations in genomic subtype, growth factor expression and local microenvironmental factors can result in regional variations within individual tumours. For example, localised variations in tumour cell proliferation, cell death, metabolic activity and vascular structure will be accompanied by variations in oxygenation status, pH and drug delivery that may directly affect therapeutic response. Documenting and quantifying regional heterogeneity within the tumour requires histological or imaging techniques. There is increasing evidence that quantitative imaging biomarkers can be used in vivo to provide important, reproducible and repeatable estimates of tumoural heterogeneity. In this article we review the imaging methods available to provide appropriate biomarkers of tumour structure and function. We also discuss the significant technical issues involved in the quantitative estimation of heterogeneity and the range of descriptive metrics that can be derived. Finally, we have reviewed the existing clinical evidence that heterogeneity metrics provide additional useful information in drug discovery and development and in clinical practice. Copyright © 2012 Elsevier Ltd. All rights reserved.

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

Heterogeneous network architectures

DEFF Research Database (Denmark)

Christiansen, Henrik Lehrmann

2006-01-01

is flexibility. This thesis investigates such heterogeneous network architectures and how to make them flexible. A survey of algorithms for network design is presented, and it is described how using heuristics can increase the speed. A hierarchical, MPLS based network architecture is described......Future networks will be heterogeneous! Due to the sheer size of networks (e.g., the Internet) upgrades cannot be instantaneous and thus heterogeneity appears. This means that instead of trying to find the olution, networks hould be designed as being heterogeneous. One of the key equirements here...... and it is discussed that it is advantageous to heterogeneous networks and illustrated by a number of examples. Modeling and simulation is a well-known way of doing performance evaluation. An approach to event-driven simulation of communication networks is presented and mixed complexity modeling, which can simplify...

Contribution of microreactor technology and flow chemistry to the development of green and sustainable synthesis.

Science.gov (United States)

Fanelli, Flavio; Parisi, Giovanna; Degennaro, Leonardo; Luisi, Renzo

2017-01-01

Microreactor technology and flow chemistry could play an important role in the development of green and sustainable synthetic processes. In this review, some recent relevant examples in the field of flash chemistry, catalysis, hazardous chemistry and continuous flow processing are described. Selected examples highlight the role that flow chemistry could play in the near future for a sustainable development.

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)

Non-Equilibrium Thermodynamic Chemistry and the Composition of the Atmosphere of Mars

Science.gov (United States)

Levine, J. S.; Summers, M. E.

2003-01-01

A high priority objective of the Mars Exploration Program is to Determine if life exists today (MEPAG Goal I, Objective A). The measurement of gases of biogenic origin may be an approach to detect the presence of microbial life on the surface or subsurface of Mars. Chemical thermodynamic calculations indicate that on both Earth and Mars, certain gases should exist in extremely low concentrations, if at all. Microbial metabolic activity is an important non-equilibrium chemistry process on Earth, and if microbial life exists on Mars, may be an important nonequilibrium chemistry process on Mars. The non-equilibrium chemistry of the atmosphere of Mars is discussed in this paper.

What Does the Acid Ionization Constant Tell You? An Organic Chemistry Student Guide

Science.gov (United States)

Rossi, Robert D.

2013-01-01

Many students find the transition from first-year general chemistry to second-year organic chemistry a daunting task. There are many reasons for this, not the least of which is their lack of a solid understanding and appreciation of the importance of some basic concepts and principles from general chemistry that play an extremely critical role in…

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.

A heterogeneous electronics architecture for dealing with complexity in modular robots

DEFF Research Database (Denmark)

Garcia, Ricardo Franco Mendoza

2011-01-01

Modular robots are robots built from many similar modules that can be arranged in different configurations to suit tasks in hand. Although promising, current incarnations of this technology suffer of an important drawback: modules are usually extremely expensive. This thesis proposes...... a heterogeneous electronics architecture that addresses the price and complexity of modular robots by focusing on the good aspects of homogeneous and heterogeneous designs, such as sequential implementation and reusable components. The architecture was implemented in four robots: Odin V1, Odin V2, Thor...... and Locomorph. In all cases, development time from conception to realization took less than a year, and two of these robots were able to take part in an international robot competition soon after their implementation. We conclude that heterogeneity brings three important advantages to the current stage...

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.

Best possible cycle chemistry control in steam turbine plants; Baesta moejliga oevervakning av vattenkemin i anlaeggningar med aangturbin

Energy Technology Data Exchange (ETDEWEB)

Hellman, Mats [Hellman Vatten AB, Stockholm (Sweden)

2004-11-01

A project has been conducted of a large number of power and pulp plants in Sweden. Production managers and those responsible for water quality control were visited and interviewed. In addition, a research of cycle chemistry literature has been conducted to determine what has been done in other countries. The review of this literature shows that the Electric Power Research Institute in the USA and ESKOM in South Africa are in the forefront regarding QA/QC and have come a long way in water control management. A key requirement for successful plant cycle chemistry is corporate management support. The project makes it clear that cycle chemistry control was best at plants where production management was aware of the importance of high water quality. There is a real need for feed water technique and water quality education at all company levels. The objective should be that 'everyone should know the importance of right water quality'. Personnel without an education in chemistry often regard cycle chemistry as somewhat complicated. Better understanding and better working cycle chemistry control can be obtained by making the control easier and clearer for persons without training in chemistry. Extensive on-line instrumentation with well-designed systems for presenting the data, by-far, gives the best cycle chemistry control. It is important to have a holistic view when water treatment systems and on-line instrumentation are planned. It is not the amount of instruments or the number of chemistry personnel that is important. The important thing is to ensure that all functions needed fit together in the best way possible. Today, when cycle chemistry monitoring is heavily dependent on on-line instrumentation, the reliability of the instruments is crucial. Therefore, it is important to have well-established routines for maintenance, calibration and service. In order to decrease forced outages of plants due to poor cycle chemistry, the focus of chemistry control should

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

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.…

Importance of Habitat Heterogeneity in Richness and Diversity of Moths (Lepidoptera) in Brazilian Savanna.

Science.gov (United States)

Braga, Laura; Diniz, Ivone Rezende

2015-06-01

Moths exhibit different levels of fidelity to habitat, and some taxa are considered as bioindicators for conservation because they respond to habitat quality, environmental change, and vegetation types. In this study, we verified the effect of two phytophysiognomies of the Cerrado, savanna and forest, on the diversity distribution of moths of Erebidae (Arctiinae), Saturniidae, and Sphingidae families by using a hierarchical additive partitioning analysis. This analysis was based on two metrics: species richness and Shannon diversity index. The following questions were addressed: 1) Does the beta diversity of moths between phytophysiognomies add more species to the regional diversity than the beta diversity between sampling units and between sites? 2) Does the distribution of moth diversity differ among taxa? Alpha and beta diversities were compared with null models. The additive partitioning of species richness for the set of three Lepidoptera families identified beta diversity between phytophysiognomies as the component that contributed most to regional diversity, whereas the Shannon index identified alpha diversity as the major contributor. According to both species richness and the Shannon index, beta diversity between phytophysiognomies was significantly higher than expected by chance. Therefore, phytophysiognomies are the most important component in determining the richness and composition of the community. Additive partitioning also indicated that individual families of moths respond differently to the effect of habitat heterogeneity. The integrity of the Cerrado mosaic of phytophysiognomies plays a crucial role in maintaining moth biodiversity in the region. © The Authors 2015. Published by Oxford University Press on behalf of Entomological Society of America. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

Proceedings of the 32. Brazilian Congress on Chemistry; 5. Brazilian Meeting of Scientific Initiation on Chemistry - Abstracts

International Nuclear Information System (INIS)

1992-01-01

This 32. Brazilian Congress on Chemistry happened in Belem, Para State, was important, considering the actual moment where the Amazonia assume a role in the international view. Works about synthesis, characterization and uses of nuclear materials and elements are presented. (C.G.C.)

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)

From trace chemistry to single atom chemistry

International Nuclear Information System (INIS)

Adloff, J.P.

1993-01-01

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

Organic chemistry

International Nuclear Information System (INIS)

2003-08-01

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

Long-term flow/chemistry feedback in a porous medium with heterogenous permeability: Kinetic control of dissolution and precipitation

International Nuclear Information System (INIS)

Bolton, E.W.; Lasaga, A.C.; Rye, D.M.

1999-01-01

The kinetics of dissolution and precipitation is of central importance to understanding the long-term evolution of fluid flows in crustal environments, with implications for problems as diverse as nuclear waste disposal and crustal evolution. The authors examine the dynamics of such evolution for several geologically relevant permeability distributions (models for en-echelon cracks, an isolated sloping fractured zone, and two sloping high-permeability zones that are close enough together to interact). Although the focus is on a simple quartz matrix system, generic features emerge from this study that can aid in the broader goal of understanding the long-term feedback between flow and chemistry, where dissolution and precipitation is under kinetic control. Examples of thermal convection in a porous medium with spatially variable permeability reveal features of central importance to water-rock interaction. After a transient phase, an accelerated rate of change of porosity may be used with care to decrease computational time, as an alternative to the quasi-stationary state approximation (Lichtner, 1988). Kinetic effects produce features not expected by traditional assumptions made on the basis of equilibrium, for example, that cooling fluids are oversaturated and heating fluids are undersaturated with respect to silicic acid equilibrium. Indeed, the authors observe regions of downwelling oversaturated fluid experiencing heating and regions of upwelling, yet cooling, undersaturated fluid. When oscillatory convection is present, the amplitudes of oscillation generally increase with time in near-surface environments, whereas amplitudes tend to decrease over long times near the heated lower boundary. The authors examine the scaling behavior of characteristic length scales, of terms in the solute equation, and of the typical deviation from equilibrium, each as a function of the kinetic rate parameters

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

Unusual Amino Acids in Medicinal Chemistry.

Science.gov (United States)

Blaskovich, Mark A T

2016-12-22

Unusual amino acids are fundamental building blocks of modern medicinal chemistry. The combination of readily functionalized amine and carboxyl groups attached to a chiral central core along with one or two potentially diverse side chains provides a unique three-dimensional structure with a high degree of functionality. This makes them invaluable as starting materials for syntheses of complex molecules, highly diverse elements for SAR campaigns, integral components of peptidomimetic drugs, and potential drugs on their own. This Perspective highlights the diversity of unnatural amino acid structures found in hit-to-lead and lead optimization campaigns and clinical stage and approved drugs, reflecting their increasingly important role in medicinal chemistry.

Contribution of microreactor technology and flow chemistry to the development of green and sustainable synthesis

Directory of Open Access Journals (Sweden)

Flavio Fanelli

2017-03-01

Full Text Available Microreactor technology and flow chemistry could play an important role in the development of green and sustainable synthetic processes. In this review, some recent relevant examples in the field of flash chemistry, catalysis, hazardous chemistry and continuous flow processing are described. Selected examples highlight the role that flow chemistry could play in the near future for a sustainable development.

Regional heterogeneity and gene flow maintain variance in a quantitative trait within populations of lodgepole pine

Science.gov (United States)

Yeaman, Sam; Jarvis, Andy

2006-01-01

Genetic variation is of fundamental importance to biological evolution, yet we still know very little about how it is maintained in nature. Because many species inhabit heterogeneous environments and have pronounced local adaptations, gene flow between differently adapted populations may be a persistent source of genetic variation within populations. If this migration–selection balance is biologically important then there should be strong correlations between genetic variance within populations and the amount of heterogeneity in the environment surrounding them. Here, we use data from a long-term study of 142 populations of lodgepole pine (Pinus contorta) to compare levels of genetic variation in growth response with measures of climatic heterogeneity in the surrounding region. We find that regional heterogeneity explains at least 20% of the variation in genetic variance, suggesting that gene flow and heterogeneous selection may play an important role in maintaining the high levels of genetic variation found within natural populations. PMID:16769628

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.

Heterogeneous Rock Simulation Using DIP-Micromechanics-Statistical Methods

Directory of Open Access Journals (Sweden)

H. Molladavoodi

2018-01-01

Full Text Available Rock as a natural material is heterogeneous. Rock material consists of minerals, crystals, cement, grains, and microcracks. Each component of rock has a different mechanical behavior under applied loading condition. Therefore, rock component distribution has an important effect on rock mechanical behavior, especially in the postpeak region. In this paper, the rock sample was studied by digital image processing (DIP, micromechanics, and statistical methods. Using image processing, volume fractions of the rock minerals composing the rock sample were evaluated precisely. The mechanical properties of the rock matrix were determined based on upscaling micromechanics. In order to consider the rock heterogeneities effect on mechanical behavior, the heterogeneity index was calculated in a framework of statistical method. A Weibull distribution function was fitted to the Young modulus distribution of minerals. Finally, statistical and Mohr–Coulomb strain-softening models were used simultaneously as a constitutive model in DEM code. The acoustic emission, strain energy release, and the effect of rock heterogeneities on the postpeak behavior process were investigated. The numerical results are in good agreement with experimental data.

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.

Does heterogeneity of pimonidazole labelling correspond to the heterogeneity of radiation-response of FaDu human squamous cell carcinoma?

International Nuclear Information System (INIS)

Yaromina, Ala; Hoelscher, Tobias; Eicheler, Wolfgang; Rosner, Andrea; Krause, Mechthild; Hessel, Franziska; Petersen, Cordula; Thames, Howard D.; Baumann, Michael; Zips, Daniel

2005-01-01

Background and purpose: Pimonidazole is a marker for hypoxic cells which are radioresistant and thereby important for the outcome of radiotherapy. The present study evaluates heterogeneity in pimonidazole binding within and between tumours and relates the results to the heterogeneity of radiation response in the same tumour cell line. Materials and methods: FaDu, a poorly differentiated human squamous cell carcinoma line, was transplanted subcutaneously into the right hind-leg of NMRI nude mice. Tumours were irradiated with graded single doses either under ambient or clamped blood flow conditions and local tumour control was evaluated after 120 days. Complete dose-response curves for local tumour control were generated and the slope, a measure of heterogeneity of radiation response, was determined. In parallel, 12 unirradiated tumours were examined histologically. Seven serial 10 μm cross-sections per tumour were evaluated using fluorescence microscopy and computerised image analysis to determine the pimonidazole hypoxic fraction (pHF). Heterogeneity in pHF was quantified by its coefficient of variation (CV). Poisson-based model calculations considering the intertumoural heterogeneity of pHF were performed and the slopes of the predicted and the observed dose-response curves were compared. Results: The mean pHF was 11% [CV 50%] when one central section per tumour was evaluated. Measurements of multiple sections per tumour resulted in a mean pHF of 12% [CV 46%] (P=0.7). Intertumoural heterogeneity in pHF was more pronounced than heterogeneity in individual tumours by a factor of 2. Model calculations based on the variability in pHF resulted in similar slopes of the dose-response curve for local tumour control in comparison with the observed slope when the heterogeneity in an unknown and arbitrarily chosen additional radiobiologically relevant parameter, in this example clonogen density, was taken into account. Conclusions: While the average pimonidazole hypoxic

Population dynamics on heterogeneous bacterial substrates

Science.gov (United States)

Mobius, Wolfram; Murray, Andrew W.; Nelson, David R.

2012-02-01

How species invade new territories and how these range expansions influence the population's genotypes are important questions in the field of population genetics. The majority of work addressing these questions focuses on homogeneous environments. Much less is known about the population dynamics and population genetics when the environmental conditions are heterogeneous in space. To better understand range expansions in two-dimensional heterogeneous environments, we employ a system of bacteria and bacteriophage, the viruses of bacteria. Thereby, the bacteria constitute the environment in which a population of bacteriophages expands. The spread of phage constitutes itself in lysis of bacteria and thus formation of clear regions on bacterial lawns, called plaques. We study the population dynamics and genetics of the expanding page for various patterns of environments.

Intracellular Chemistry: Integrating Molecular Inorganic Catalysts with Living Systems.

Science.gov (United States)

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

2018-03-23

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

Embedding Environmental Sustainability in the Undergraduate Chemistry Curriculum: A Case Study

Science.gov (United States)

Schultz, Madeleine

2013-01-01

In spite of increasing attention devoted to the importance of embedding sustainability in university curricula, few Australian universities include specific green chemistry units, and there is no mention of green or sustainable chemistry concepts in the majority of units. In this paper, an argument is posited that all universities should embed…

Structure and chemistry of the Si(111)/AlN interface

Science.gov (United States)

Radtke, G.; Couillard, M.; Botton, G. A.; Zhu, D.; Humphreys, C. J.

2012-01-01

We investigate the atomic structure and the chemistry of the Si(111)/AlN interface for an AlN film grown at low-temperature (735 °C) by metalorganic vapor phase epitaxy. A heterogeneous interface is formed from the alternation of crystallographically abrupt and partly amorphous regions. The polarity of the AlN film, along with the projected atomic structure of the crystalline interface, is retrieved using high-angle annular dark field imaging, and a model, based on these experimental observations, is proposed for the bonding at the interface. Electron energy-loss spectrum-imaging, however, also reveals a chemical intermixing, placing our growth conditions at the onset of SiNx interlayer formation.

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

Dynamic heterogeneity in life histories

DEFF Research Database (Denmark)

Tuljapurkar, Shripad; Steiner, Uli; Orzack, Steven Hecht

2009-01-01

or no fixed heterogeneity influences this trait. We propose that dynamic heterogeneity provides a 'neutral' model for assessing the possible role of unobserved 'quality' differences between individuals. We discuss fitness for dynamic life histories, and the implications of dynamic heterogeneity...... generate dynamic heterogeneity: life-history differences produced by stochastic stratum dynamics. We characterize dynamic heterogeneity in a range of species across taxa by properties of the Markov chain: the entropy, which describes the extent of heterogeneity, and the subdominant eigenvalue, which...... distributions of lifetime reproductive success. Dynamic heterogeneity contrasts with fixed heterogeneity: unobserved differences that generate variation between life histories. We show by an example that observed distributions of lifetime reproductive success are often consistent with the claim that little...

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

Towards "Bildung"-Oriented Chemistry Education

Science.gov (United States)

Sjöström, Jesper

2013-01-01

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

Green Chemistry Metrics with Special Reference to Green Analytical Chemistry

Directory of Open Access Journals (Sweden)

Marek Tobiszewski

2015-06-01

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

Green Chemistry Metrics with Special Reference to Green Analytical Chemistry.

Science.gov (United States)

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

2015-06-12

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

Earth system modelling on system-level heterogeneous architectures: EMAC (version 2.42) on the Dynamical Exascale Entry Platform (DEEP)

Science.gov (United States)

Christou, Michalis; Christoudias, Theodoros; Morillo, Julián; Alvarez, Damian; Merx, Hendrik

2016-09-01

We examine an alternative approach to heterogeneous cluster-computing in the many-core era for Earth system models, using the European Centre for Medium-Range Weather Forecasts Hamburg (ECHAM)/Modular Earth Submodel System (MESSy) Atmospheric Chemistry (EMAC) model as a pilot application on the Dynamical Exascale Entry Platform (DEEP). A set of autonomous coprocessors interconnected together, called Booster, complements a conventional HPC Cluster and increases its computing performance, offering extra flexibility to expose multiple levels of parallelism and achieve better scalability. The EMAC model atmospheric chemistry code (Module Efficiently Calculating the Chemistry of the Atmosphere (MECCA)) was taskified with an offload mechanism implemented using OmpSs directives. The model was ported to the MareNostrum 3 supercomputer to allow testing with Intel Xeon Phi accelerators on a production-size machine. The changes proposed in this paper are expected to contribute to the eventual adoption of Cluster-Booster division and Many Integrated Core (MIC) accelerated architectures in presently available implementations of Earth system models, towards exploiting the potential of a fully Exascale-capable platform.

Position paper on main areas of nuclear chemistry research and application

International Nuclear Information System (INIS)

2001-01-01

Nuclear chemistry, with its specialized areas of nuclear chemistry, radiochemistry, and radiation chemistry, mainly covers these fields: basic research in nuclear chemistry; actinide chemistry; radioanalysis; nuclear chemistry in the life sciences, geosciences, and cosmic chemistry; radiotracers in technology; nuclear power technology; nuclear waste management; tritium chemistry in fusion technology, and radiation protection and radioecology. In the more than one hundred years of history of this branch of science and technology, which was opened up by the discovery of radioactivity and of the radioelements, pioneering discoveries and developments have been made in many sectors. Far beyond the confines of this area of work, they have achieved overriding importance in applications in many fields of technology and industry and in the life sciences. Research and application in nuclear chemistry continue to be highly relevant to society, ecology, and the economy, and the potential of science and technology in this field in Germany is acknowledged internationally. In the light of this vast area of activity, and against the need to maintain competence in nuclear chemistry for the use of nuclear power, irrespective of the status of this continued use in Germany, nuclear chemistry is indispensable to the solution of future problems. The Nuclear Chemistry Group of the Gesellschaft Deutscher Chemiker therefore uses this position paper to draw attention to the urgent need to keep up and further advance nuclear chemistry applications in a variety of areas of science and technology, also as a public duty of thorough education and research. (orig.) [de

International Military Practice Amidst Ethical Heterogeneity

Science.gov (United States)

2013-12-13

importance of the multicultural environment cannot be understated, and the ethical make-up, moral philosophy, and cultural relativism (Robertson and...determinism, moral relativism . Rather, the development of students’ ethical and moral strength is achieved by engaging in learning opportunites...INTERNATIONAL MILITARY PRACTICE AMIDST ETHICAL HETEROGENEITY A thesis presented to the Faculty of the U.S. Army Command and

Representation and Analysis of Chemistry Core Ideas in Science Education Standards between China and the United States

Science.gov (United States)

Wan, Yanlan; Bi, Hualin

2016-01-01

Chemistry core ideas play an important role in students' chemistry learning. On the basis of the representations of chemistry core ideas about "substances" and "processes" in the Chinese Chemistry Curriculum Standards (CCCS) and the U.S. Next Generation Science Standards (NGSS), we conduct a critical comparison of 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.

Macroeconomic Policies and Agent Heterogeneity

OpenAIRE

GOTTLIEB, Charles

2012-01-01

Defence date: 24 February 2012 Examining Board: Giancarlo Corsetti, Arpad Abraham, Juan Carlos Conesa, Jonathan Heathcote. This thesis contributes to the understanding of macroeconomic policies’ impact on the distribution of wealth. It belongs to the strand of literature that departs from the representative agent assumption and perceives agent heterogeneity and the induced disparities in wealth accumulation, as an important dimension of economic policy-making. Within such economic envir...

Bibliographies on radiation chemistry

International Nuclear Information System (INIS)

Hoffman, M.Z.; Ross, A.B.

1986-01-01

The one-electron oxidation and reduction of metal ions and complexes can yield species in unusual oxidation states, and ligand-radicals coordinated to the central metal. These often unstable species can be mechanistically important intermediates in thermal, photochemical, and electrochemical reactions involving metal-containing substances. Their generation via radiolysis provides an alternate means of characterizing them using kinetic and spectroscopic techniques. We hope these bibliographies on the radiation chemistry of metal ions and complexes, presented according to periodic groups, will prove useful to researchers in metallo-redox chemistry. These bibliographies contain only primary literature sources; reviews are not included. However, a list of general review articles on the radiation chemistry of metal ions and complexes is presented here in the first section which covers cobalt, rhodium and iridium, Group 9 in the new IUPAC notation. Additional parts of the bibliography are planned, covering other periodic groups. Part A of the bibliography was prepared by a search of the Radiation Chemistry Data Center Bibliographic Data Base (RCDCbib) through January 1986 for papers on rhodium, iridium and cobalt compounds, and radiolysis (both continuous and pulsed). Papers in which the use of metal compounds was incidental to the primary objective of the study were excluded. Excluded also were publications in unrefereed and obscure sources such as meeting proceedings, internal reports, dissertations, and patents. The majority of the studies in the resultant compilation deal with experiments performed on solutions, mainly aqueous, although a substantial fraction is devoted to solid-state esr measurements. The references are listed in separate sections for each of the metals, and are presented in approximate chronological order. (author)

Chemistry of high-energy materials

Energy Technology Data Exchange (ETDEWEB)

Klapoetke, Thomas M. [Ludwig-Maximilians-Univ., Muenchen (Germany). Dept. of Chemistry; Maryland Univ., College Park, MD (US). Center of Energetic Concepts Development (CECD)

2011-07-01

The graduate-level textbook Chemistry of High-Energy Materials provides an introduction to and an overview of primary and secondary (high) explosives as well as propellant charges, rocket propellants and pyrotechnics. After a brief historical overview, the main classes of energetic materials are discussed systematically. Thermodynamic aspects, as far as relevant to energetic materials, are discussed, as well as modern computational approaches to predict performance and sensitivity parameters. The most important performance criteria such as detonation velocity, detonation pressure and heat of explosion, as well as the relevant sensitivity parameters suc as impact and friction sensitivity and electrostatic discharge sensitivity are explored in detail. Modern aspects of chemical synthesis including lead-free primary explosives and high-nitrogen compounds are also included in this book together with a discussion of high-energy materials for future defense needs. The most important goal of this book, based on a lecture course which has now been held at LMU Munich for over 12 years, is to increase knowledge and know-how in the synthesis and safe handling of high-energy materials. Society needs now as much as ever advanced explosives, propellant charges, rocket propellants and pyrotechnics to meet the demands in defense and engineering. This book is first and foremost aimed at advanced students in chemistry, engineering and materials sciences. However, it is also intended to provide a good introduction to the chemistry of energetic materials and chemical defense technology for scientists in the defense industry and government-run defense organizations. (orig.)

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.

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.

The water chemistry of CANDU PHW reactors

International Nuclear Information System (INIS)

LeSurf, J.E.

1978-01-01

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

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...

Liquid crystals beyond displays chemistry, physics, and applications

CERN Document Server

Li, Quan

2012-01-01

The chemistry, physics, and applications of liquid crystals beyond LCDs Liquid Crystals (LCs) combine order and mobility on a molecular and supramolecular level. But while these remarkable states of matter are most commonly associated with visual display technologies, they have important applications for a variety of other fields as well. Liquid Crystals Beyond Displays: Chemistry, Physics, and Applications considers these, bringing together cutting-edge research from some of the most promising areas of LC science. Featuring contributions from respected researchers from around the globe, th

Chemistry Dashboard

Science.gov (United States)

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

Impact of Chemistry Teachers' Knowledge and Practices on Student Achievement

Science.gov (United States)

Scantlebury, Kathryn

2008-10-01

Professional development programs promoting inquiry-based teaching are challenged with providing teachers content knowledge and using pedagogical approaches that model standards based instruction. Inquiry practices are also important for undergraduate students. This paper focuses on the evaluation of an extensive professional development program for chemistry teachers that included chemistry content tests for students and the teachers and the impact of undergraduate research experiences on college students' attitudes towards chemistry. Baseline results for the students showed that there were no gender differences on the achievement test but white students scored significantly higher than non-white students. However, parent/adult involvement with chemistry homework and projects, was a significant negative predictor of 11th grade students' test chemistry achievement score. This paper will focus on students' achievement and attitude results for teachers who are mid-way through the program providing evidence that on-going, sustained professional development in content and pedagogy is critical for improving students' science achievement.

Materials Chemistry

CERN Document Server

Fahlman, Bradley D

2011-01-01

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

Starch: chemistry, microstructure, processing and enzymatic degradation

Science.gov (United States)

Starch is recognized as one of the most abundant and important commodities containing value added attributes for a vast number of industrial applications. Its chemistry, structure, property and susceptibility to various chemical, physical and enzymatic modifications offer a high technological value ...

Quantum chemistry

CERN Document Server

Lowe, John P

1993-01-01

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

Spatial preference heterogeneity in forest recreation

DEFF Research Database (Denmark)

Abildtrup, Jens; Garcia, Serge; Olsen, Søren Bøye

2013-01-01

In this study, we analyze the preferences for recreational use of forests in Lorraine (Northeastern France), applying stated preference data. Our approach allows us to estimate individual-specific preferences for recreational use of different forest types. These estimates are used in a second stage...... in the estimation of welfare economic values for parking and picnic facilities in the analyzed model. The results underline the importance of considering spatial heterogeneity of preferences carrying out economic valuation of spatial-delineated environmental goods and that the spatial variation in willingness...... of the analysis where we test whether preferences depend on access to recreation sites. We find that there is significant preference heterogeneity with respect to most forest attributes. The spatial analysis shows that preferences for forests with parking and picnic facilities are correlated with having access...

Secondary-school chemistry textbooks in the 19th century

Directory of Open Access Journals (Sweden)

Milanović Vesna D.

2015-01-01

Full Text Available The teaching of chemistry in Serbia as a separate subject dates from 1874. The first secondary-school chemistry textbooks appeared in the second half of the 19th century. The aim of this paper is to gain insight, by analysing two secondary-school chemistry textbooks, written by Sima Lozanić (1895 and Mita Petrović (1892, into what amount of scientific knowledge from the sphere of chemistry was presented to secondary school students in Serbia in the second half of the 19th century, and what principles textbooks written at the time were based on. Within the framework of the research conducted, we defined the criteria for assessing the quality of secondary-school chemistry textbooks in the context of the time they were written in. The most important difference between the two textbooks under analysis that we found pertained to the way in which their contents were organized. Sima Lozanić’s textbook is characterized by a greater degree of systematicness when it comes to the manner of presenting its contents and consistency of approach throughout the book. In both textbooks one can perceive the authors’ attempts to link chemistry-related subjects to everyday life, and to point out the practical significance of various substances, as well as their toxicness.

Heterogeneous cellular networks

CERN Document Server

Hu, Rose Qingyang

2013-01-01

A timely publication providing coverage of radio resource management, mobility management and standardization in heterogeneous cellular networks The topic of heterogeneous cellular networks has gained momentum in industry and the research community, attracting the attention of standardization bodies such as 3GPP LTE and IEEE 802.16j, whose objectives are looking into increasing the capacity and coverage of the cellular networks. This book focuses on recent progresses,  covering the related topics including scenarios of heterogeneous network deployment, interference management i

Proceedings of the DAE-BRNS fourth interdisciplinary symposium on materials chemistry

International Nuclear Information System (INIS)

Tyagi, D.; Banerjee, A.M.; Bhattacharyya, K.; Nigam, S.; Varma, S.; Tripathi, A.K.; Das, D.

2012-12-01

This symposium covers almost all the contemporary research areas of materials chemistry like materials for energy conversion, biomaterials, carbon based materials, chemical sensors, fuel cell materials and other electro-ceramics, polymers and soft condensed matters, thin films and surface chemistry, organic and organometallics, high purity materials, nanomaterials and clusters to acquaint ourselves with the advancement made in these emerging areas. Topics like nuclear materials, magnetic materials, catalysis and computational materials chemistry continue to be important facet of ISMC series of symposia. Papers relevant to INIS are indexed separately

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…

Assessment of EPRI water chemistry guidelines for new nuclear power plants

International Nuclear Information System (INIS)

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

2012-09-01

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

Elastic Rock Heterogeneity Controls Brittle Rock Failure during Hydraulic Fracturing

Science.gov (United States)

Langenbruch, C.; Shapiro, S. A.

2014-12-01

For interpretation and inversion of microseismic data it is important to understand, which properties of the reservoir rock control the occurrence probability of brittle rock failure and associated seismicity during hydraulic stimulation. This is especially important, when inverting for key properties like permeability and fracture conductivity. Although it became accepted that seismic events are triggered by fluid flow and the resulting perturbation of the stress field in the reservoir rock, the magnitude of stress perturbations, capable of triggering failure in rocks, can be highly variable. The controlling physical mechanism of this variability is still under discussion. We compare the occurrence of microseismic events at the Cotton Valley gas field to elastic rock heterogeneity, obtained from measurements along the treatment wells. The heterogeneity is characterized by scale invariant fluctuations of elastic properties. We observe that the elastic heterogeneity of the rock formation controls the occurrence of brittle failure. In particular, we find that the density of events is increasing with the Brittleness Index (BI) of the rock, which is defined as a combination of Young's modulus and Poisson's ratio. We evaluate the physical meaning of the BI. By applying geomechanical investigations we characterize the influence of fluctuating elastic properties in rocks on the probability of brittle rock failure. Our analysis is based on the computation of stress fluctuations caused by elastic heterogeneity of rocks. We find that elastic rock heterogeneity causes stress fluctuations of significant magnitude. Moreover, the stress changes necessary to open and reactivate fractures in rocks are strongly related to fluctuations of elastic moduli. Our analysis gives a physical explanation to the observed relation between elastic heterogeneity of the rock formation and the occurrence of brittle failure during hydraulic reservoir stimulations. A crucial factor for understanding

Annual Report 1984. Chemistry Department

DEFF Research Database (Denmark)

Funck, Jytte; Nielsen, Ole John

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

Modelling Configuration Knowledge in Heterogeneous Product Families

DEFF Research Database (Denmark)

Queva, Matthieu Stéphane Benoit; Männistö, Tomi; Ricci, Laurent

2011-01-01

Product configuration systems play an important role in the development of Mass Customisation. The configuration of complex product families may nowadays involve multiple design disciplines, e.g. hardware, software and services. In this paper, we present a conceptual approach for modelling...... the variability in such heterogeneous product families. Our approach is based on a framework that aims to cater for the different stakeholders involved in the modelling and management of the product family. The modelling approach is centred around the concepts of views, types and constraints and is illustrated...... by a motivation example. Furthermore, as a proof of concept, a prototype has been implemented for configuring a non-trivial heterogeneous product family....

Defining Conceptual Understanding in General Chemistry

Science.gov (United States)

Holme, Thomas A.; Luxford, Cynthia J.; Brandriet, Alexandra

2015-01-01

Among the many possible goals that instructors have for students in general chemistry, the idea that they will better understand the conceptual underpinnings of the science is certainly important. Nonetheless, identifying with clarity what exemplifies student success at achieving this goal is hindered by the challenge of clearly articulating what…

Species‐ and habitat‐specific otolith chemistry patterns inform riverine fisheries management

Science.gov (United States)

Radigan, William; Carlson, Andrew K.; Kientz, Jeremy; Chipps, Steven R.; Fincel, Mark J.; Graeb, Brian D. S.

2018-01-01

Geology and hydrology are drivers of water chemistry and thus important considerations for fish otolith chemistry research. However, other factors such as species and habitat identity may have predictive ability, enabling selection of appropriate elemental signatures prior to costly, perhaps unnecessary water/age‐0 fish sampling. The goal of this study was to develop a predictive methodology for using species and habitat identity to design efficient otolith chemistry studies. Duplicate water samples and age‐0 fish were collected from 61 sites in 4 Missouri River reservoirs for walleye Sander vitreus and one impoundment (Lake Sharpe, South Dakota) for other fishes (bluegill Lepomis macrochirus, black crappie Pomoxis nigromaculatus, gizzard shad Dorosoma cepedianum, largemouth bass Micropterus salmoides, smallmouth bass M. dolomieu, white bass Morone chrysops, white crappie P. annularis, and yellow perch Perca flavescens). Water chemistry (barium:calcium [Ba:Ca], strontium:calcium [Sr:Ca]) was temporally stable, spatially variable, and highly correlated with otolith chemistry for all species except yellow perch. Classification accuracies based on bivariate Ba:Ca and Sr:Ca signatures were high (84% across species) yet varied between floodplain and main‐channel habitats in a species‐specific manner. Thus, to maximize the reliability of otolith chemistry, researchers can use species classifications presented herein to inform habitat selection (e.g., study reservoir‐oriented species such as white bass in main‐channel environments) and habitat‐based classifications to inform species selection (e.g., focus floodplain studies on littoral species such as largemouth bass). Overall, species and habitat identity are important considerations for efficient, effective otolith chemistry studies that inform and advance fisheries and aquatic resource management.

Electron tunneling in chemistry

International Nuclear Information System (INIS)

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

1985-01-01

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

Annual report 1984 Chemistry Department

International Nuclear Information System (INIS)

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

1985-03-01

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

Annual report 1987 Chemistry Department

International Nuclear Information System (INIS)

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

1988-04-01

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

Annual report 1985 Chemistry Department

International Nuclear Information System (INIS)

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

1986-03-01

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

Annual report 1982 chemistry department

International Nuclear Information System (INIS)

Larsen, E.; Nielsen, O.J.

1983-04-01