Chemistry of Atmospheric Aerosols at Pacifichem 2015 Congress

Energy Technology Data Exchange (ETDEWEB)

Nizkorodov, Sergey [Univ. of California, Irvine, CA (United States)

2016-12-28

This grant was used to provide participant support for a symposium entitled “Chemistry of Atmospheric Aerosols” at the 2015 International Chemical Congress of Pacific Basin Societies (Pacifichem) that took place in Honolulu, Hawaii, USA, on December 15-20, 2015. The objective was to help attract both distinguished scientists as well as more junior researchers, including graduate students, to this international symposium by reducing the financial barrier for its attendance. It was the second time a symposium devoted to Atmospheric Aerosols was part of the Pacifichem program. This symposium provided a unique opportunity for the scientists from different countries to gather in one place and discuss the cutting edge advances in the cross-disciplinary areas of aerosol research. To achieve the highest possible impact, the PI and the symposium co-organizers actively advertised the symposium by e-mail and by announcements at other conferences. A number of people responded, and the end result was a very busy program with about 100 oral and poster presentation described in the attached PDF file. Presentations by invited speakers occupied approximately 30% of time in each of the sessions. In addition to the invited speakers, each session also had contributed presentations, including those by graduate students and postdoctoral researchers. This symposium gathered established aerosol chemists from a number of countries including United States, Canada, China, Japan, Korea, Australia, Brazil, Hongkong, Switzerland, France, and Germany. There were plenty of time for the attendees to discuss new ideas and potential collaborations both during the oral sessions and at the poster sessions of the symposium. The symposium was very beneficial to graduate student researchers, postdoctoral fellows, and junior researchers whose prior exposure to international aerosol chemistry science had been limited. The symposium provided junior researchers with a much broader perspective of aerosol

Impact of Amazonian deforestation on atmospheric chemistry

NARCIS (Netherlands)

Ganzeveld, L.N.; Lelieveld, J.

2004-01-01

A single-column chemistry and climate model has been used to study the impact of deforestation in the Amazon Basin on atmospheric chemistry. Over deforested areas, daytime ozone deposition generally decreases strongly except when surface wetness decreases through reduced precipitation, whereas

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

Directory of Open Access Journals (Sweden)

A. Kerkweg

2012-01-01

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

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.

Data assimilation in atmospheric chemistry models: current status and future prospects for coupled chemistry meteorology models

OpenAIRE

M. Bocquet; H. Elbern; H. Eskes; M. Hirtl; R. Žabkar; G. R. Carmichael; J. Flemming; A. Inness; M. Pagowski; J. L. Pérez Camaño; P. E. Saide; R. San Jose; M. Sofiev; J. Vira; A. Baklanov

2015-01-01

Data assimilation is used in atmospheric chemistry models to improve air quality forecasts, construct re-analyses of three-dimensional chemical (including aerosol) concentrations and perform inverse modeling of input variables or model parameters (e.g., emissions). Coupled chemistry meteorology models (CCMM) are atmospheric chemistry models that simulate meteorological processes and chemical transformations jointly. They offer the possibility to assimilate both meteorologica...

Moderator Chemistry Program

International Nuclear Information System (INIS)

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

1990-11-01

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

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.

Evaluated kinetic and photochemical data for atmospheric chemistry: Supplement VIII, halogen species evaluation for atmospheric chemistry

International Nuclear Information System (INIS)

Atkinson, R.; Baulch, D.L.; Cox, R.A.; Hampson, R.F. Jr.; Kerr, J.A.; Rossi, M.J.; Troe, J.

2000-01-01

This paper updates and extends part of the previous data base of critical evaluations of the kinetics and photochemistry of gas-phase chemical reactions of neutral species involved in atmospheric chemistry [J. Phys. Chem. Ref. Data 9, 295 (1980); 11, 327 (1982); 13, 1259 (1984); 18, 881 (1989); 21, 1125 (1992); 26, 521 (1997); 26, 1329 (1997); 28, 191 (1999)]. The present evaluation is limited to the inorganic halogen family of atmospherically important reactions. The work has been carried out by the authors under the auspices of the IUPAC Subcommittee on Gas Phase Kinetic Data Evaluation for Atmospheric Chemistry. Data sheets have been prepared for 102 thermal and photochemical reactions, containing summaries of the available experimental data with notes giving details of the experimental procedures. For each thermal reaction, a preferred value of the rate coefficient at 298 K is given together with a temperature dependence where possible. The selection of the preferred value is discussed and estimates of the accuracies of the rate coefficients and temperature coefficients have been made for each reaction. For each photochemical reaction the data sheets list the preferred values of the photoabsorption cross sections and the quantum yields of the photochemical reactions together with comments on how they were selected. The data sheets are intended to provide the basic physical chemical data needed as input for calculations that model atmospheric chemistry. A table summarizing the preferred rate data is provided, together with an appendix listing the available values of enthalpies of formation of the reactant and product species

Biomass burning studies and the International Global Atmospheric Chemistry (IGAC) Project

International Nuclear Information System (INIS)

Prinn, R.G.

1991-01-01

The perturbations to local and regional atmospheric chemistry caused by biomass burning also have global significance. The International Global Atmospheric Chemistry (IGAC) Project was created by scientists from over twenty countries in response to the growing interest concern about atmospheric chemical changes and their potential impact on mankind. The goal of the IGAC is to develop a fundamental understanding of the natural and anthropogenic processes that determine the chemical composition of the atmosphere and the interactions between atmospheric composition and biospheric and climatic processes. A specific objective is to accurately predict changes over the next century in the composition and chemistry of the global atmosphere. Current activities, leaders and scientists involved are presented in this chapter

Atmospheric and aerosol chemistry

International Nuclear Information System (INIS)

McNeill, V. Faye; Ariya, Parisa A.; McGill Univ. Montreal, QC

2014-01-01

This series presents critical reviews of the present position and future trends in modern chemical research. Short and concise reports on chemistry, each written by the world renowned experts. Still valid and useful after 5 or 10 years. More information as well as the electronic version of the whole content available at: springerlink.com. Christian George, Barbara D'Anna, Hartmut Herrmann, Christian Weller, Veronica Vaida, D. J. Donaldson, Thorsten Bartels-Rausch, Markus Ammann Emerging Areas in Atmospheric Photochemistry. Lisa Whalley, Daniel Stone, Dwayne Heard New Insights into the Tropospheric Oxidation of Isoprene: Combining Field Measurements, Laboratory Studies, Chemical Modelling and Quantum Theory. Neil M. Donahue, Allen L. Robinson, Erica R. Trump, Ilona Riipinen, Jesse H. Kroll Volatility and Aging of Atmospheric Organic Aerosol. P. A. Ariya, G. Kos, R. Mortazavi, E. D. Hudson, V. Kanthasamy, N. Eltouny, J. Sun, C. Wilde Bio-Organic Materials in the Atmosphere and Snow: Measurement and Characterization V. Faye McNeill, Neha Sareen, Allison N. Schwier Surface-Active Organics in Atmospheric Aerosols.

Exoplanetary Atmospheres-Chemistry, Formation Conditions, and Habitability.

Science.gov (United States)

Madhusudhan, Nikku; Agúndez, Marcelino; Moses, Julianne I; Hu, Yongyun

2016-12-01

Characterizing the atmospheres of extrasolar planets is the new frontier in exoplanetary science. The last two decades of exoplanet discoveries have revealed that exoplanets are very common and extremely diverse in their orbital and bulk properties. We now enter a new era as we begin to investigate the chemical diversity of exoplanets, their atmospheric and interior processes, and their formation conditions. Recent developments in the field have led to unprecedented advancements in our understanding of atmospheric chemistry of exoplanets and the implications for their formation conditions. We review these developments in the present work. We review in detail the theory of atmospheric chemistry in all classes of exoplanets discovered to date, from highly irradiated gas giants, ice giants, and super-Earths, to directly imaged giant planets at large orbital separations. We then review the observational detections of chemical species in exoplanetary atmospheres of these various types using different methods, including transit spectroscopy, Doppler spectroscopy, and direct imaging. In addition to chemical detections, we discuss the advances in determining chemical abundances in these atmospheres and how such abundances are being used to constrain exoplanetary formation conditions and migration mechanisms. Finally, we review recent theoretical work on the atmospheres of habitable exoplanets, followed by a discussion of future outlook of the field.

Atmospheric chemistry of CFCs and potential alternatives

International Nuclear Information System (INIS)

Watson, R.T.

1990-01-01

Since the discovery of the ozone hole, the knowledge of atmospheric chemistry related to ozone depletion and chlorofluorocarbons has increased significantly. Factors that result in large losses in ozone during the Antarctic spring are present in the Arctic, although a hole has not been observed. The latest science is discussed as it pertains to the Arctic and Antarctic regions. The ozone depletion potentials (ODP) and global warming potentials (GWP) of the most likely alternatives are presented and related to their environmental acceptability. NASA, NSF, NOAA, EPA and the industry sponsored AFEAS program are coordinating efforts to provide further scientific information to more fully understand the potential environmental effects of alternatives. A progress report is given

Atmospheric and aerosol chemistry

Energy Technology Data Exchange (ETDEWEB)

McNeill, V. Faye [Columbia Univ., New York, NY (United States). Dept. of Chemical Engineering; Ariya, Parisa A. (ed.) [McGill Univ. Montreal, QC (Canada). Dept. of Chemistry; McGill Univ. Montreal, QC (Canada). Dept. of Atmospheric and Oceanic Sciences

2014-09-01

This series presents critical reviews of the present position and future trends in modern chemical research. Short and concise reports on chemistry, each written by the world renowned experts. Still valid and useful after 5 or 10 years. More information as well as the electronic version of the whole content available at: springerlink.com. Christian George, Barbara D'Anna, Hartmut Herrmann, Christian Weller, Veronica Vaida, D. J. Donaldson, Thorsten Bartels-Rausch, Markus Ammann Emerging Areas in Atmospheric Photochemistry. Lisa Whalley, Daniel Stone, Dwayne Heard New Insights into the Tropospheric Oxidation of Isoprene: Combining Field Measurements, Laboratory Studies, Chemical Modelling and Quantum Theory. Neil M. Donahue, Allen L. Robinson, Erica R. Trump, Ilona Riipinen, Jesse H. Kroll Volatility and Aging of Atmospheric Organic Aerosol. P. A. Ariya, G. Kos, R. Mortazavi, E. D. Hudson, V. Kanthasamy, N. Eltouny, J. Sun, C. Wilde Bio-Organic Materials in the Atmosphere and Snow: Measurement and Characterization V. Faye McNeill, Neha Sareen, Allison N. Schwier Surface-Active Organics in Atmospheric Aerosols.

Chemistry and evolution of Titan's atmosphere

International Nuclear Information System (INIS)

Strobel, D.F.

1982-01-01

The chemistry and evolution of Titan's atmosphere is reviewed in the light of the scientific findings from the Voyager mission. It is argued that the present N 2 atmosphere may be Titan's initial atmosphere rather than photochemically derived from an original NH 3 atmosphere. The escape rate of hydrogen from Titan is controlled by photochemical production from hydrocarbons. CH 4 is irreversibly converted to less hydrogen rich hydrocarbons, which over geologic time accumulate on the surface to a layer thickness of approximately 0.5 km. Magnetospheric electrons interacting with Titan's exosphere may dissociate enough N 2 into hot, escaping N atoms to remove approximately 0.2 of Titan's present atmosphere over geologic time. The energy dissipation of magnetospheric electrons exceeds solar e.u.v. energy deposition in Titan's atmosphere by an order of magnitude and is the principal driver of nitrogen photochemistry. The environmental conditions in Titan's upper atmosphere are favorable to building up complex molecules, particularly in the north polar cap region. (author)

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.

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.

A Decade of Field Changing Atmospheric Aerosol Research: Outcomes of EPA’s STAR Program

Science.gov (United States)

Conference: Gordon Research Conference in Atmospheric Chemistry, July 28 – August 2, 2013, VermontPresentation Type: PosterTitle: An Analysis of EPA’s STAR Program and a Decade of Field Changing Research in Atmospheric AerosolsAuthors: Kristina M. Wagstrom1,2, Sherri ...

Atmospheric Science Program. Summaries of research in FY 1994

Energy Technology Data Exchange (ETDEWEB)

NONE

1995-06-01

This report provides descriptions for all projects funded by ESD under annual contracts in FY 1994. Each description contains the project`s title; three-year funding history (in thousands of dollars); the contract period over which the funding applies; the name(s) of the principal investigator(s); the institution(s) conducting the projects; and the project`s objectives, products, approach, and results to date (for most projects older than one year). Project descriptions are categorized within the report according to program areas: atmospheric chemistry, atmospheric dynamics, and support operations. Within these categories, the descriptions are ordered alphabetically by principal investigator. Each program area is preceded by a brief text that defines the program area, states it goals and objectives, lists principal research questions, and identifies program managers. Appendixes provide the addresses and telephone numbers of the principal investigators and define the acronyms used.

Atmospheric Composition Change: Climate-Chemistry Interactions

Science.gov (United States)

Isaksen, I.S.A.; Granier, C.; Myhre, G.; Bernsten, T. K.; Dalsoren, S. B.; Gauss, S.; Klimont, Z.; Benestad, R.; Bousquet, P.; Collins, W.;

Atmospheric Boundary Layer, Integrating Air Chemistry and Land Interactions

NARCIS (Netherlands)

Vilà-Guerau De Arellano, J.; Heerwaarden, van C.C.; Stratum, van B.J.H.; Dries, van den C.L.A.M.

2015-01-01

This textbook provides an introduction to the interactions between the atmosphere and the land for advanced undergraduate and graduate students and a reference text for researchers in atmospheric physics and chemistry, hydrology, and plant physiology. The combination of the book, which provides the

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)

Recent Discoveries and Future Challenges in Atmospheric Organic Chemistry.

Science.gov (United States)

Glasius, Marianne; Goldstein, Allen H

2016-03-15

Earth's atmosphere contains a multitude of organic compounds, which differ by orders of magnitude regarding fundamental properties such as volatility, reactivity, and propensity to form cloud droplets, affecting their impact on global climate and human health. Despite recent major research efforts and advances, there are still substantial gaps in understanding of atmospheric organic chemistry, hampering efforts to understand, model, and mitigate environmental problems such as aerosol formation in both polluted urban and more pristine regions. The analytical toolbox available for chemists to study atmospheric organic components has expanded considerably during the past decade, opening new windows into speciation, time resolution and detection of reactive and semivolatile compounds at low concentrations. This has provided unprecedented opportunities, but also unveiled new scientific challenges. Specific groundbreaking examples include the role of epoxides in aerosol formation especially from isoprene, the importance of highly oxidized, reactive organics in air-surface processes (whether atmosphere-biosphere exchange or aerosols), as well as the extent of interactions of anthropogenic and biogenic emissions and the resulting impact on atmospheric organic chemistry.

2017 Atmospheric Chemistry Gordon Research Conference

Science.gov (United States)

2017-11-13

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

IceBridge Atmospheric Chemistry L1B Data

Data.gov (United States)

National Aeronautics and Space Administration — The IceBridge Atmospheric Chemistry L1B Data set (ICHEM1B) contains measurements acquired over Antarctica using the AVOCET differential Non-Dispersive Infrared...

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.

Particle precipitation: How the spectrum fit impacts atmospheric chemistry

Science.gov (United States)

Wissing, J. M.; Nieder, H.; Yakovchouk, O. S.; Sinnhuber, M.

2016-11-01

Particle precipitation causes atmospheric ionization. Modeled ionization rates are widely used in atmospheric chemistry/climate simulations of the upper atmosphere. As ionization rates are based on particle measurements some assumptions concerning the energy spectrum are required. While detectors measure particles binned into certain energy ranges only, the calculation of a ionization profile needs a fit for the whole energy spectrum. Therefore the following assumptions are needed: (a) fit function (e.g. power-law or Maxwellian), (b) energy range, (c) amount of segments in the spectral fit, (d) fixed or variable positions of intersections between these segments. The aim of this paper is to quantify the impact of different assumptions on ionization rates as well as their consequences for atmospheric chemistry modeling. As the assumptions about the particle spectrum are independent from the ionization model itself the results of this paper are not restricted to a single ionization model, even though the Atmospheric Ionization Module OSnabrück (AIMOS, Wissing and Kallenrode, 2009) is used here. We include protons only as this allows us to trace changes in the chemistry model directly back to the different assumptions without the need to interpret superposed ionization profiles. However, since every particle species requires a particle spectrum fit with the mentioned assumptions the results are generally applicable to all precipitating particles. The reader may argue that the selection of assumptions of the particle fit is of minor interest, but we would like to emphasize on this topic as it is a major, if not the main, source of discrepancies between different ionization models (and reality). Depending on the assumptions single ionization profiles may vary by a factor of 5, long-term calculations may show systematic over- or underestimation in specific altitudes and even for ideal setups the definition of the energy-range involves an intrinsic 25% uncertainty for the

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.

Atmospheric Sciences Program summaries of research in FY 1993

Energy Technology Data Exchange (ETDEWEB)

1993-11-01

This document describes the activities and products of the Atmospheric Science Program of the Environmental Sciences Division, Office of Health and Environmental Research, Office of Energy Research, in FY 1993. Each description contains the project`s title; three-year funding history; the contract period over which the funding applies; the name(s) of the principal investigator(s); the institution(s) conducting the projects; and the project`s objectives, products, approach, and results to date. Project descriptions are categorized within the report according to program areas: atmospheric chemistry, atmospheric dynamics, and support operations. Within these categories, the descriptions are ordered alphabetically by principal investigator. Each program area is preceded by a brief text that defines the program area, states its goals and objectives, lists principal research questions, and identifies program managers. Appendixes provide the addresses and telephone numbers of the principal investigators and define the acronyms used. This document has been indexed to aid the reader in locating research topics, participants, and research institutions in the text and the project descriptions. Comprehensive subject, principal investigator, and institution indexes are provided at the end of the text for this purpose. The comprehensive subject index includes keywords from the introduction and chapter texts in addition to those from the project descriptions.

Strong atmospheric chemistry feedback to climate warming from Arctic methane emissions

Science.gov (United States)

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

2011-01-01

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

Atmospheric Prebiotic Chemistry and Organic Hazes

Science.gov (United States)

Trainer, Melissa G.

2012-01-01

Earth's atmospheric composition at the time of the origin of life is not known, but it has often been suggested that chemical transformation of reactive species in the atmosphere was a significant source of pre biotic organic molecules. Experimental and theoretical studies over the past half century have shown that atmospheric synthesis can yield molecules such as amino acids and nucleobases, but these processes are very sensitive to gas composition and energy source. Abiotic synthesis of organic molecules is more productive in reduced atmospheres, yet the primitive Earth may not have been as reducing as earlier workers assumed, and recent research has reflected this shift in thinking. This work provides a survey of the range of chemical products that can be produced given a set of atmospheric conditions, with a particular focus on recent reports. Intertwined with the discussion of atmospheric synthesis is the consideration of an organic haze layer, which has been suggested as a possible ultraviolet shield on the anoxic early Earth. Since such a haze layer - if formed - would serve as a reservoir for organic molecules, the chemical composition of the aerosol should be closely examined. The results highlighted here show that a variety of products can be formed in mildly reducing or even neutral atmospheres, demonstrating that contributions of atmospheric synthesis to the organic inventory on early Earth should not be discounted. This review intends to bridge current knowledge of the range of possible atmospheric conditions in the prebiotic environment and pathways for synthesis under such conditions by examining the possible products of organic chemistry in the early atmosphere.

Atmospheric Chemistry of (CF3)2CF-C≡N

DEFF Research Database (Denmark)

Andersen, Mads Peter Sulbæk; Kyte, Mildrid; Thirstrup Andersen, Simone

2017-01-01

FTIR/smog chamber experiments and ab initio quantum calculations were performed to investigate the atmospheric chemistry of (CF3)2CFCN, a proposed replacement compound for the industrially important sulfur hexafluoride, SF6. The present study determined k(Cl + (CF3)2CFCN) = (2.33 ± 0.87) × 10–17, k......(OH + (CF3)2CFCN) = (1.45 ± 0.25) × 10–15, and k(O3 + (CF3)2CFCN) ≤ 6 × 10–24 cm3 molecule–1 s–1, respectively, in 700 Torr of N2 or air diluent at 296 ± 2 K. The main atmospheric sink for (CF3)2CFCN was determined to be reaction with OH radicals. Quantum chemistry calculations, supported by experimental...

Organic chemistry in a CO2 rich early Earth atmosphere

Science.gov (United States)

Fleury, Benjamin; Carrasco, Nathalie; Millan, Maëva; Vettier, Ludovic; Szopa, Cyril

2017-12-01

The emergence of life on the Earth has required a prior organic chemistry leading to the formation of prebiotic molecules. The origin and the evolution of the organic matter on the early Earth is not yet firmly understood. Several hypothesis, possibly complementary, are considered. They can be divided in two categories: endogenous and exogenous sources. In this work we investigate the contribution of a specific endogenous source: the organic chemistry occurring in the ionosphere of the early Earth where the significant VUV contribution of the young Sun involved an efficient formation of reactive species. We address the issue whether this chemistry can lead to the formation of complex organic compounds with CO2 as only source of carbon in an early atmosphere made of N2, CO2 and H2, by mimicking experimentally this type of chemistry using a low pressure plasma reactor. By analyzing the gaseous phase composition, we strictly identified the formation of H2O, NH3, N2O and C2N2. The formation of a solid organic phase is also observed, confirming the possibility to trigger organic chemistry in the upper atmosphere of the early Earth. The identification of Nitrogen-bearing chemical functions in the solid highlights the possibility for an efficient ionospheric chemistry to provide prebiotic material on the early Earth.

Problems in global atmospheric chemistry

Science.gov (United States)

Crutzen, Paul J.

1993-02-01

The chemistry of the atmosphere is substantially influenced by a wide range of chemical processes which are primarily driven by the action of ultraviolet radiation of wavelengths shorter than 320 nm (UV-B) on ozone and water vapor. This leads to the formation of hydroxyl (OH) radicals which, despite very low tropospheric concentrations, remove most gases that are emitted into the atmosphere by natural and anthropogenic processes. Therefore, although only about 10% of all atmospheric ozone is located in the troposphere, through the formation of OH, it determines the oxidation efficiency of the atmosphere and is, therefore, of the utmost importance for maintaining its chemical composition. Due to a variety of human activities, especially through increasing emissions of CH4, CO, and NOx, the concentrations of tropospheric ozone and hydroxyl are expected to be increasing in polluted and decreasing in clean tropospheric environments. Altogether, this may be leading to an overall decrease in the oxidation efficiency of the atmosphere, contributing to a gradual buildup of several longlived trace gases that are primarily removed by reaction with OH. In the stratosphere, especially due to catalytic reactions of chlorine-containing gases of industrial origin, ozone is being depleted, most drastically noted during the early spring months over Antarctica. Because ozone is the only atmospheric constituent that can significantly absorb solar radiation in the wavelength region 240 - 320 nm, this loss of ozone enhances the penetration of biologically harmful UV-B radiation to the earth's surface with ensuing negative consequences for the biosphere. Several of the aforementioned chemically active trace gases with growing trends in the atmosphere are also efficient greenhouse gases. Together they can exert a warming effect on the earth's climate about equal to that of carbon dioxide.

Do airborne microbes matter for atmospheric chemistry and cloud formation?

Science.gov (United States)

Konstantinidis, Konstantinos T

2014-06-01

The role of airborne microbial cells in the chemistry of the atmosphere and cloud formation remains essentially speculative. Recent studies have indicated that microbes might be more important than previously anticipated for atmospheric processes. However, more work and direct communication between microbiologists and atmospheric scientists and modellers are necessary to better understand and model bioaerosol-cloud-precipitation-climate interactions. © 2014 Society for Applied Microbiology and John Wiley & Sons Ltd.

New atmospheric program

Science.gov (United States)

The National Science Foundation's Division of Atmospheric Sciences has established an Upper Atmospheric Facilities program within its Centers and Facilities section. The program will support the operation of and the scientific research that uses the longitudinal chain of incoherent scatter radars. The program also will ensure that the chain is maintained as a state-of-the-art research tool available to all interested and qualified scientists.For additional information, contact Richard A. Behnke, Division of Atmospheric Sciences, National Science Foundation, 1800 G Street, N.W., Washington, DC 20550 (telephone: 202-357-7390).

Biomass burning studies and the International Global Atmospheric Chemistry (IGAC) project

Science.gov (United States)

Prinn, Ronald G.

1991-01-01

IGAC is an ambitious, decade-long and global research initiative concerned with major research challenges in the field of atmospheric chemistry; its chemists and ecosystem biologists are addressing the problems associated with global biomass burning (BMB). Among IGAC's goals is the achievement of a fundamental understanding of the natural and anthropogenic processes determining changes in atmospheric composition and chemistry, in order to allow century-long predictions. IGAC's studies have been organized into 'foci', encompassing the marine, tropical, polar, boreal, and midlatitude areas, as well as their global composite interactions. Attention is to be given to the effects of BMB on biogeochemical cycles.

Nuclear chemistry in the traditional chemistry program

International Nuclear Information System (INIS)

Kleppinger, E.W.

1993-01-01

The traditional undergraduate program for chemistry majors, especially at institutions devoted solely to undergraduate education, has limited space for 'special topics' courses in areas such as nuclear and radiochemistry. A scheme is proposed whereby the basic topics covered in an introductury radiochemistry course are touched upon, and in some cases covered in detail, at some time during the four-year sequence of courses taken by a chemistry major. (author) 6 refs.; 7 tabs

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

Directory of Open Access Journals (Sweden)

R. Hein

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

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.

Variational methods for direct/inverse problems of atmospheric dynamics and chemistry

Science.gov (United States)

Penenko, Vladimir; Penenko, Alexey; Tsvetova, Elena

2013-04-01

monotone and stable discrete-analytical numerical schemes [1]-[3] conserving the positivity of the chemical substance concentrations and possessing the properties of energy and mass balance that are postulated in the general variational principle for integrated models. All algorithms for solution of transport, diffusion and transformation problems are direct (without iterations). The work is partially supported by the Programs No 4 of Presidium RAS and No 3 of Mathematical Department of RAS, by RFBR project 11-01-00187 and Integrating projects of SD RAS No 8 and 35. Our studies are in the line with the goals of COST Action ES1004. References Penenko V., Tsvetova E. Discrete-analytical methods for the implementation of variational principles in environmental applications// Journal of computational and applied mathematics, 2009, v. 226, 319-330. Penenko A.V. Discrete-analytic schemes for solving an inverse coefficient heat conduction problem in a layered medium with gradient methods// Numerical Analysis and Applications, 2012, V. 5, pp 326-341. V. Penenko, E. Tsvetova. Variational methods for constructing the monotone approximations for atmospheric chemistry models //Numerical Analysis and Applications, 2013 (in press).

The global change research center atmospheric chemistry model

Energy Technology Data Exchange (ETDEWEB)

Moraes, Jr., Francis Perry [Oregon Graduate Inst. of Science and Technology, Portland, OR (United States)

1995-01-01

This work outlines the development of a new model of the chemistry of the natural atmosphere. The model is 2.5-dimensional, having spatial coordinates height, latitude, and, the half-dimension, land and ocean. The model spans both the troposphere and stratosphere, although the troposphere is emphasized and the stratosphere is simple and incomplete. The chemistry in the model includes the O_x, HO_x, NO_x, and methane cycles in a highly modular fashion which allows model users great flexibility in selecting simulation parameters. A detailed modeled sensitivity analysis is also presented. A key aspect of the model is its inclusion of clouds. The model uses current understanding of the distribution and optical thickness of clouds to determine the true radiation distribution in the atmosphere. As a result, detailed studies of the radiative effects of clouds on the distribution of both oxidant concentrations and trace gas removal are possible. This work presents a beginning of this study with model results and discussion of cloud effects on the hydroxyl radical.

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

OpenAIRE

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

2012-01-01

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

Nighttime atmospheric chemistry of iodine

Science.gov (United States)

Saiz-Lopez, Alfonso; Plane, John M. C.; Cuevas, Carlos A.; Mahajan, Anoop S.; Lamarque, Jean-François; Kinnison, Douglas E.

2016-12-01

Little attention has so far been paid to the nighttime atmospheric chemistry of iodine species. Current atmospheric models predict a buildup of HOI and I2 during the night that leads to a spike of IO at sunrise, which is not observed by measurements. In this work, electronic structure calculations are used to survey possible reactions that HOI and I2 could undergo at night in the lower troposphere, and hence reduce their nighttime accumulation. The new reaction NO3+ HOI → IO + HNO3 is proposed, with a rate coefficient calculated from statistical rate theory over the temperature range 260-300 K and at a pressure of 1000 hPa to be k(T) = 2.7 × 10-12 (300 K/T)2.66 cm3 molecule-1 s-1. This reaction is included in two atmospheric models, along with the known reaction between I2 and NO3, to explore a new nocturnal iodine radical activation mechanism. The results show that this iodine scheme leads to a considerable reduction of nighttime HOI and I2, which results in the enhancement of more than 25 % of nighttime ocean emissions of HOI + I2 and the removal of the anomalous spike of IO at sunrise. We suggest that active nighttime iodine can also have a considerable, so far unrecognized, impact on the reduction of the NO3 radical levels in the marine boundary layer (MBL) and hence upon the nocturnal oxidizing capacity of the marine atmosphere. The effect of this is exemplified by the indirect effect on dimethyl sulfide (DMS) oxidation.

The role of computational chemistry in the science and measurements of the atmosphere

Science.gov (United States)

Phillips, D. H.

1978-01-01

The role of computational chemistry in determining the stability, photochemistry, spectroscopic parameters, and parameters for estimating reaction rates of atmospheric constituents is discussed. Examples dealing with the photolysis cross sections of HOCl and (1 Delta g) O2 and with the stability of gaseous NH4Cl and asymmetric ClO3 are presented. It is concluded that computational chemistry can play an important role in the study of atmospheric constituents, particularly reactive and short-lived species which are difficult to investigate experimentally.

The Atmospheric Chemistry Experiment (ACE): Mission Overview

Science.gov (United States)

Bernath, P. F.; Boone, C.; Walker, K.; McLeod, S.; Nassar, R.

2003-12-01

The ACE mission goals are: (1) to measure and to understand the chemical and dynamical processes that control the distribution of ozone in the upper troposphere and stratosphere, with a particular emphasis on the Arctic region; (2) to explore the relationship between atmospheric chemistry and climate change; (3) to study the effects of biomass burning in the free troposphere; (4) to measure aerosol number density, size distribution and composition in order to reduce the uncertainties in their effects on the global energy balance. ACE will make a comprehensive set of simultaneous measurements of trace gases, thin clouds, aerosols, and temperature by solar occultation from a satellite in low earth orbit. A high inclination (74 degrees) low earth orbit (650 km) gives ACE coverage of tropical, mid-latitudes and polar regions. The solar occultation advantages are high sensitivity and self-calibration. A high-resolution (0.02 cm-1) infrared Fourier Transform Spectrometer (FTS) operating from 2 to 13 microns (750-4100 cm-1) will measure the vertical distribution of trace gases, and the meteorological variables of temperature and pressure. The ACE concept is derived from the now-retired ATMOS FTS instrument, which flew on the Space Shuttle in 1985, 1992, 1993, 1994. Climate-chemistry coupling may lead to the formation of an Arctic ozone hole. ACE will provide high quality data to confront these model predictions and will monitor polar chemistry as chlorine levels decline. The ACE-FTS can measure water vapor and HDO in the tropical tropopause region to study dehydration and strat-trop exchange. The molecular signatures of massive forest fires will evident in the ACE infrared spectra. The CO2 in our spectra can be used to either retrieve atmospheric pressure or (if the instrument pointing knowledge proves to be satisfactory) for an independent retrieval of a CO2 profile for carbon cycle science. Aerosols and clouds will be monitored using the extinction of solar radiation at

Remote sensing of atmospheric chemistry; Proceedings of the Meeting, Orlando, FL, Apr. 1-3, 1991

Science.gov (United States)

McElroy, James L.; McNeal, Robert J.

The present volume on remote sensing of atmospheric chemistry discusses special remote sensing space observations and field experiments to study chemical change in the atmosphere, network monitoring for detection of stratospheric chemical change, stratospheric chemistry studies, and the combining of model, in situ, and remote sensing in atmospheric chemistry. Attention is given to the measurement of tropospheric carbon monoxide using gas filter radiometers, long-path differential absorption measurements of tropospheric molecules, air quality monitoring with the differential optical absorption spectrometer, and a characterization of tropospheric methane through space-based remote sensing. Topics addressed include microwave limb sounder experiments for UARS and EOS, an overview of the spectroscopy of the atmosphere using an FIR emission experiment, the detection of stratospheric ozone trends by ground-based microwave observations, and a FIR Fabry-Perot spectrometer for OH measurements. (For individual items see A93-31377 to A93-31412)

AECL research programs in systems chemistry

International Nuclear Information System (INIS)

Lister, D.H.; Pathania, R.S.

1984-05-01

Research programs in Systems Chemistry are aimed at preserving the integrity of the many working systems in CANDU reactors and at minimizing chemistry-induced problems such as radiation field growth or fouling of surfaces. The topics of main concern are the chemistry and corrosion of steam generators, for it is in this general area that the potential for serious problems is very real

Frontiers in Atmospheric Chemistry Modelling

Science.gov (United States)

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

2013-04-01

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

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

Science.gov (United States)

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

2016-06-01

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

Interconnection of reactive oxygen species chemistry across the interfaces of atmospheric, environmental, and biological processes.

Science.gov (United States)

Anglada, Josep M; Martins-Costa, Marilia; Francisco, Joseph S; Ruiz-López, Manuel F

2015-03-17

Oxidation reactions are ubiquitous and play key roles in the chemistry of the atmosphere, in water treatment processes, and in aerobic organisms. Ozone (O3), hydrogen peroxide (H2O2), hydrogen polyoxides (H2Ox, x > 2), associated hydroxyl and hydroperoxyl radicals (HOx = OH and HO2), and superoxide and ozonide anions (O2(-) and O3(-), respectively) are the primary oxidants in these systems. They are commonly classified as reactive oxygen species (ROS). Atmospheric chemistry is driven by a complex system of chain reactions of species, including nitrogen oxides, hydroxyl and hydroperoxide radicals, alkoxy and peroxy radicals, and ozone. HOx radicals contribute to keeping air clean, but in polluted areas, the ozone concentration increases and creates a negative impact on plants and animals. Indeed, ozone concentration is used to assess air quality worldwide. Clouds have a direct effect on the chemical composition of the atmosphere. On one hand, cloud droplets absorb many trace atmospheric gases, which can be scavenged by rain and fog. On the other hand, ionic species can form in this medium, which makes the chemistry of the atmosphere richer and more complex. Furthermore, recent studies have suggested that air-cloud interfaces might have a significant impact on the overall chemistry of the troposphere. Despite the large differences in molecular composition, concentration, and thermodynamic conditions among atmospheric, environmental, and biological systems, the underlying chemistry involving ROS has many similarities. In this Account, we examine ROS and discuss the chemical characteristics common to all of these systems. In water treatment, ROS are key components of an important subset of advanced oxidation processes. Ozonation, peroxone chemistry, and Fenton reactions play important roles in generating sufficient amounts of hydroxyl radicals to purify wastewater. Biochemical processes within living organisms also involve ROS. These species can come from pollutants in

Some current problems in atmospheric ozone chemistry; role of chemical kinetics

Energy Technology Data Exchange (ETDEWEB)

Cox, R.A.

1987-03-01

A review is given on selected aspects of the reaction mechanisms of current interest in the chemistry of atmospheric ozone. Atmospheric ozone is produced and removed by a complex series of elementary gas-phase photochemical reactions involving O/sub x/, HO/sub x/, NO/sub x/, CIO/sub x/ and hydrocarbon species. At the present time there is a good knowledge of the basic processes involved in ozone chemistry in the stratosphere and the troposphere and the kinetics of most of the key reactions are well defined. There are a number of difficulties in the theoretical descriptions of observed ozone behaviour which may be due to uncertainties in the chemistry. Examples are the failure to predict present day ozone in the photochemically controlled region above 35 Km altitude and the large reductions in the ozone column in the Antartic Spring which has been observed in recent years. In the troposphere there is growing evidence that ozone and other trace gases have changed appreciably from pre-industrial concentrations, due to chemical reactions involving man-made pollutants. Quantitative investigation of the mechanisms by which these changes may occur requires a sound laboratory kinetics data base.

Using high-frequency sampling to detect effects of atmospheric pollutants on stream chemistry

Science.gov (United States)

Stephen D. Sebestyen; James B. Shanley; Elizabeth W. Boyer

2009-01-01

We combined information from long-term (weekly over many years) and short-term (high-frequency during rainfall and snowmelt events) stream water sampling efforts to understand how atmospheric deposition affects stream chemistry. Water samples were collected at the Sleepers River Research Watershed, VT, a temperate upland forest site that receives elevated atmospheric...

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

Directory of Open Access Journals (Sweden)

H. G. Ouwersloot

2012-10-01

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

Variational data assimilation schemes for transport and transformation models of atmospheric chemistry

Science.gov (United States)

Penenko, Alexey; Penenko, Vladimir; Tsvetova, Elena; Antokhin, Pavel

2016-04-01

The work is devoted to data assimilation algorithm for atmospheric chemistry transport and transformation models. In the work a control function is introduced into the model source term (emission rate) to provide flexibility to adjust to data. This function is evaluated as the constrained minimum of the target functional combining a control function norm with a norm of the misfit between measured data and its model-simulated analog. Transport and transformation processes model is acting as a constraint. The constrained minimization problem is solved with Euler-Lagrange variational principle [1] which allows reducing it to a system of direct, adjoint and control function estimate relations. This provides a physically-plausible structure of the resulting analysis without model error covariance matrices that are sought within conventional approaches to data assimilation. High dimensionality of the atmospheric chemistry models and a real-time mode of operation demand for computational efficiency of the data assimilation algorithms. Computational issues with complicated models can be solved by using a splitting technique. Within this approach a complex model is split to a set of relatively independent simpler models equipped with a coupling procedure. In a fine-grained approach data assimilation is carried out quasi-independently on the separate splitting stages with shared measurement data [2]. In integrated schemes data assimilation is carried out with respect to the split model as a whole. We compare the two approaches both theoretically and numerically. Data assimilation on the transport stage is carried out with a direct algorithm without iterations. Different algorithms to assimilate data on nonlinear transformation stage are compared. In the work we compare data assimilation results for both artificial and real measurement data. With these data we study the impact of transformation processes and data assimilation to the performance of the modeling system [3]. The

Global atmospheric chemistry – which air matters

Directory of Open Access Journals (Sweden)

M. J. Prather

2017-07-01

Full Text Available An approach for analysis and modeling of global atmospheric chemistry is developed for application to measurements that provide a tropospheric climatology of those heterogeneously distributed, reactive species that control the loss of methane and the production and loss of ozone. We identify key species (e.g., O3, NOx, HNO3, HNO4, C2H3NO5, H2O, HOOH, CH3OOH, HCHO, CO, CH4, C2H6, acetaldehyde, acetone and presume that they can be measured simultaneously in air parcels on the scale of a few km horizontally and a few tenths of a km vertically. As a first step, six global models have prepared such climatologies sampled at the modeled resolution for August with emphasis on the vast central Pacific Ocean basin. Objectives of this paper are to identify and characterize differences in model-generated reactivities as well as species covariances that could readily be discriminated with an unbiased climatology. A primary tool is comparison of multidimensional probability densities of key species weighted by the mass of such parcels or frequency of occurrence as well as by the reactivity of the parcels with respect to methane and ozone. The reactivity-weighted probabilities tell us which parcels matter in this case, and this method shows skill in differentiating among the models' chemistry. Testing 100 km scale models with 2 km measurements using these tools also addresses a core question about model resolution and whether fine-scale atmospheric structures matter to the overall ozone and methane budget. A new method enabling these six global chemistry–climate models to ingest an externally sourced climatology and then compute air parcel reactivity is demonstrated. Such an objective climatology containing these key species is anticipated from the NASA Atmospheric Tomography (ATom aircraft mission (2015–2020, executing profiles over the Pacific and Atlantic Ocean basins. This modeling study addresses a core part of the design of ATom.

NATO Advanced Study Institute on Pollutants from Combustion Formation and Impact on Atmospheric Chemistry

CERN Document Server

2000-01-01

This volume is based on the lectures presented at the NATO Advanced Study Institute: (ASI) «Pollutants Formation from Combustion. Formation Mechanisms and Impact on th th Atmospheric Chemistry» held in Maratea, Italy, from 13 to 26 september 1998. Preservation of the environment is of increasing concern in individual countries but also at continental or world scales. The structure of a NATO ASI which involve lecturers and participants of different nationalities was thought as especially well suited to address environmental issues. As combustion is known to substantially contribute to the damaging of the atmosphere, it was natural to concentrate the ASI program on reviewing the currently available knowledge of the formation mechanisms of the main pollutants liberated by combustion systems. In most situations, pollutants are present as trace components and their formation and removal is strongly conditioned by the chemical reactions initiated by fuel consumption. Therefore specific lectures were aimed at defi...

Peer-Mentoring Program and Academic Atmosphere

Directory of Open Access Journals (Sweden)

Sri Endah Kusmartini

2014-03-01

Full Text Available Management of Sriwijaya State Polytechnic believes that peer-mentoring program has positive effects on students’ academic success. Moreover, it is also believed that good academic atmosphere should be developed. In line with these, researchers tried to investigate whether peer-mentoring program and academic atmosphere correlated significantly to students’ writing achievement partially and simultaneously. The research was conducted in English Department, Sriwijaya State Polytechnic with 60 samples taken randomly. Measures of Peer-mentoring Program and Academic Atmosphere were used sequentially to measure peer-mentoring program and academic atmosphere as perceived by the students. Meanwhile, writing score was used to find out writing achievement of the students. The hypotheses were tested by using Pearson Product Moment Correlation and Multiple Linear Regression. The results showed that peer-mentoring program and academic atmosphere as perceived by the students correlated significantly towards students’ writing achievement partially and simultaneously. Therefore it is recommended to continue the programs.

Concluding remarks: Faraday Discussion on chemistry in the urban atmosphere.

Science.gov (United States)

Jimenez, Jose L

2016-07-18

This article summarises the Concluding remarks from the Faraday Discussion on Chemistry in the Urban Atmosphere. The following themes are addressed: (a) new results that inform our understanding of the evolving sources and composition of the urban atmosphere ("News"); (b) results that identify gaps in our understanding that necessitate further work ("Gaps"); (c) the emerging instrumentation revolution and some of the challenges that it brings; (d) the structural issues of insufficient support for the analysis of field campaigns; and (e) some important areas that were missing from this Faraday Discussion and that should receive an increasing focus in the future.

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

Science.gov (United States)

Chin, Gordon

2011-01-01

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

Modelling iodide – iodate speciation in atmospheric aerosol: Contributions of inorganic and organic iodine chemistry

Directory of Open Access Journals (Sweden)

S. Pechtl

2007-01-01

Full Text Available The speciation of iodine in atmospheric aerosol is currently poorly understood. Models predict negligible iodide concentrations but accumulation of iodate in aerosol, both of which is not confirmed by recent measurements. We present an updated aqueous phase iodine chemistry scheme for use in atmospheric chemistry models and discuss sensitivity studies with the marine boundary layer model MISTRA. These studies show that iodate can be reduced in acidic aerosol by inorganic reactions, i.e., iodate does not necessarily accumulate in particles. Furthermore, the transformation of particulate iodide to volatile iodine species likely has been overestimated in previous model studies due to negligence of collision-induced upper limits for the reaction rates. However, inorganic reaction cycles still do not seem to be sufficient to reproduce the observed range of iodide – iodate speciation in atmospheric aerosol. Therefore, we also investigate the effects of the recently suggested reaction of HOI with dissolved organic matter to produce iodide. If this reaction is fast enough to compete with the inorganic mechanism, it would not only directly lead to enhanced iodide concentrations but, indirectly via speed-up of the inorganic iodate reduction cycles, also to a decrease in iodate concentrations. Hence, according to our model studies, organic iodine chemistry, combined with inorganic reaction cycles, is able to reproduce observations. The presented chemistry cycles are highly dependent on pH and thus offer an explanation for the large observed variability of the iodide – iodate speciation in atmospheric aerosol.

The ENVISAT Atmospheric Chemistry mission (GOMOS, MIPAS and SCIAMACHY) -Processing status and data availability

Science.gov (United States)

Dehn, Angelika; Brizzi, G.; Barrot, G.; Bovensmann, H.; Canela, M.; Fehr, T.; Laur, H.; Lichtenberg, G.; Niro, F.; Perron, G.; Raspollini, P.; Saavedra de Miguel, L.; Scarpino, G.; Vogel, P.

The atmospheric chemistry instruments on board the ENVISAT platform (GOMOS, MIPAS and SCIAMACHY) provide a unique dataset of geophysical parameters (e.g.: trace gases, clouds, and aerosol) that allows a comprehensive characterization of the atmosphere's chemical and climatological processes [1]. These instruments started to provide significant science data shortly after the launch of the ENVISAT satellite (March 2002). At the time of writing this paper, these instruments and the whole payload modules are fully working and are well beyond the expected lifetime of 5 years. In addition the orbit control strategy of the platform will be modified starting from 2010, in order to extend the mission lifetime up to 2013 [2]. This means that if no instrument problems will appear, the ENVISAT atmospheric sensors will provide at the end of their life, three separated, but complementary datasets of the most important atmospheric state parameters, spanning a time interval of about 11 years. This represents an extraordinary source of information for the scientific user community, both for the completeness and quality of the data and for the extent of the dataset. The aim of this paper is to present the actual status of the ESA operational atmospheric chemistry dataset provided by the three ENVISAT atmospheric chemistry instruments and the future evolution. The processing and reprocessing status will be described in details for each instrument. The outcomes of the geophysical validation and the planned validation activities will be discussed. Finally the data availability and the source of information will be specified. [1] H. Nett, J. Frerick, T. Paulsen, and G. Levrini, "The atmospheric instruments and their applications: GOMOS, MIPAS and SCIAMACHY", ESA Bulletin (ISSN 0376-4265), No. 106, p. 77 -87 (2001) [2] J. Frerick, B. Duesmann, and M. Canela, "2010 and beyond -The ENVISAT mission extension", Proc. `Envisat Symposium 2007', Montreux, Switzerland, 23-27 April 2007 (ESA SP

An Overview of the EPRI PWR Primary Chemistry Program

International Nuclear Information System (INIS)

Perkins, David; Fruzzetti, Keith; Haas, Carey; Wells, Dan

2012-09-01

Primary chemistry controls continue to evolve, impacting long term equipment reliability goals, optimized core designs, and radiation dose management practices. Chemistry initiatives include increased primary system pH (T) , zinc injection, and optimization of primary system hydrogen concentration. Nevertheless, utilities are faced with ever changing challenges as fuel vendors continue to optimize core power densities coupled with longer operating cycles and material replacement efforts. These challenges must be collaboratively addressed by the plant chemists, engineers, and operators. Operational chemistry has changed dramatically over the years with increased primary pH (T) programs requiring some utilities to operate with up to 6 ppm lithium or slightly higher. Coupled with primary pH (T) program optimization, are ongoing EPRI research efforts attempting to develop an optimized hydrogen control program balancing material issues associated with primary water stress corrosion cracking (PWSCC) crack growth rate against fuel concerns associated with increased hydrogen concentrations. One of the most significant primary chemistry changes that effectively balances the demands of materials, fuels, chemistry and dose management strategies is zinc injection into the primary coolant. Since 1994 when Farley initiated zinc injection, zinc injection has been successfully injected at over 70 pressurized water reactors world-wide. Combining operational chemistry with shutdown chemistry controls provides the plant chemist with a technically based and balanced approach to fuel and material integrity as well as dose management strategies. Shutdown chemistry has continually evolved since the 1970's when the chemist was primarily concerned with fission products. Now the chemist must manage corrosion product release, and support Outage Management and Radiation Protection through the performance of a controlled shutdown. In part, this change was driven as plant materials evolved

Tracer chemistry in the laboratory and the atmosphere

International Nuclear Information System (INIS)

Rowland, F.S.

1994-01-01

The steady bombardment of the Earth's atmosphere by cosmic radiation induces numerous radioactive species in the atmosphere of which the best known are 14 C and T. Others of interest include 7 Be, 10 Be, and several isotopes of chlorine. The eventual formation of 14 CO 2 and its subsequent significance for archaeological dating were brilliantly established by Willard Libby in the 1940s. However, the initial reactions of nascent 14 C in a mixture of N 2 and O 2 produce 14 CO, as shown first in the lab. and then in the atmosphere. Because cosmic ray production rates are essentially constant in a given location, the observed concentration of 14 CO provides an excellent tool for studying the removal process, oxidation by HO to form 14 CO 2 . Because 14 CO 2 becomes incorporated into all living biological species, other molecules become labeled with 14 C as well, including 14 CH 4 . Measurement of the 14 C radioactivity of such molecules in the atmosphere allows apportionment of sources between biological and fossil fuel origins. Tritium atoms are also formed by cosmic radiation, and can subsequently be incorporated into the chemical forms HT and HTO. Although most T atoms from cosmic radiation are found as HTO, the much higher specific radioactivity of HT provides interesting insights into atmospheric processes. Lab. studies furnish important clues for understanding the atmospheric routes. The differences in radioactive half-lives cause the terrestrial locations of cosmic ray induced 7 Be and 10 Be to be primarily the atmosphere and the oceans, respectively. In a comparable manner, the chemistry of atmospheric radiochlorine divides between the very long-lived 36 Cl and three isotopes with half-lives less than an hour, 34m Cl, 38 Cl and 39 Cl

ACS-Hach Programs: Supporting Excellence in High School Chemistry Teaching

Science.gov (United States)

Taylor, Terri

2009-05-01

In January 2009, the ACS received a gift of approximately $33 million from the Hach Scientific Foundation, the largest gift in the society's 133-year history. The foundation's programs will be continued by the ACS and will complement pre-existing ACS resources that support high school chemistry teaching. Three activities serve as the pillars of the ACS-Hach programs—the High School Chemistry Grant Program, the Second Career Teacher Scholarship Program, and the Land Grant University Scholars Program. Collectively, the ACS-Hach programs support high school chemistry teaching and learning by responding to the needs of both in-service and pre-service secondary teachers. The goals of each of the ACS-Hach programs align well with the ACS Mission—to advance the broader chemistry enterprise and its practitioners for the benefit of Earth and its people.

Underlying chemistry research for the nuclear fuel waste management program

International Nuclear Information System (INIS)

Torgerson, D.F.; Sagert, N.H.; Shoesmith, D.W.; Taylor, P.

1984-04-01

This document reviews the underlying chemistry research part of the Canadian Nuclear Fuel Waste Management Program, carried out in the Research Chemistry Branch. This research is concerned with developing the basic chemical knowledge and under-standing required in other parts of the Program. There are four areas of underlying research: Waste Form Chemistry, Solute and Solution Chemistry, Rock-Water-Waste Interactions, and Abatement and Monitoring of Gas-Phase Radionuclides

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

NARCIS (Netherlands)

Ganzeveld, L.N.; Bouwman, L.

2010-01-01

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

Atmospheric Chemistry of CH3CH2OCH3

DEFF Research Database (Denmark)

Andersen, Mads Peter Sulbæk; Bjørn Svendsen, Sissel; Østerstrøm, Freja From

2017-01-01

The atmospheric chemistry of methyl ethyl ether, CH3CH2OCH3, was examined using FT-IR/relative-rate methods. Hydroxyl radical and chlorine atom rate coefficients of k(CH3CH2OCH3+OH) = (7.53 ± 2.86) × 10−12 cm3 molecule−1 s−1 and k(CH3CH2OCH3+Cl) = (2.35 ± 0.43) × 10−10 cm3 molecule−1 s−1 were...

"Holes" in Student Understanding: Addressing Prevalent Misconceptions regarding Atmospheric Environmental Chemistry

Science.gov (United States)

Kerr, Sara C.; Walz, Kenneth A.

2007-01-01

There is a misconception among undergraduate students that global warming is caused by holes in the ozone layer. In this study, we evaluated the presence of this and other misconceptions surrounding atmospheric chemistry that are responsible for the entanglement of the greenhouse effect and the ozone hole in students' conceptual frameworks. We…

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

International Nuclear Information System (INIS)

Haussaire, Jean-Matthieu

2017-01-01

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

Bunsen conference 1999. Atmospheric physical chemistry; Bunsentagung 1999. Physikalische Chemie der Atmosphaere

Energy Technology Data Exchange (ETDEWEB)

Crutzen, P.J.; Zellner, R. [comps.

2000-07-01

The main subject of the 1999 Bunsen conference was atmospheric physical chemistry. There were lectures and posters on measurement and distribution of atmospheric trace gases, photochemical reactions in the different parts of the atmosphere, natural and anthropogenic emissions resulting from biomass combustion, thermodynamics and microphysics of aerosol, and air pollution abatement. [German] Die Bunsentagung 1999 beschaeftigte sich mit dem Thema Physikalische Chemie der Atmosphaere. Themen der Vortraege und Poster waren u.a. die Messung und Verteilung von Spurengasen in der Atmosphaere, photochemische Reaktionen in den verschiedenen Schichten der Atmosphaere, natuerliche und anthropogene Emissionen durch Verbrennung von Biomasse, Thermodynamik und Microphysik von Aerosolen und Klimaschutz.

he Impact of Primary Marine Aerosol on Atmospheric Chemistry, Radiation and Climate: A CCSM Model Development Study

Energy Technology Data Exchange (ETDEWEB)

Keene, William C. [University of Virginia; Long, Michael S. [University of Virginia

2013-05-20

This project examined the potential large-scale influence of marine aerosol cycling on atmospheric chemistry, physics and radiative transfer. Measurements indicate that the size-dependent generation of marine aerosols by wind waves at the ocean surface and the subsequent production and cycling of halogen-radicals are important but poorly constrained processes that influence climate regionally and globally. A reliable capacity to examine the role of marine aerosol in the global-scale atmospheric system requires that the important size-resolved chemical processes be treated explicitly. But the treatment of multiphase chemistry across the breadth of chemical scenarios encountered throughout the atmosphere is sensitive to the initial conditions and the precision of the solution method. This study examined this sensitivity, constrained it using high-resolution laboratory and field measurements, and deployed it in a coupled chemical-microphysical 3-D atmosphere model. First, laboratory measurements of fresh, unreacted marine aerosol were used to formulate a sea-state based marine aerosol source parameterization that captured the initial organic, inorganic, and physical conditions of the aerosol population. Second, a multiphase chemical mechanism, solved using the Max Planck Institute for Chemistry's MECCA (Module Efficiently Calculating the Chemistry of the Atmosphere) system, was benchmarked across a broad set of observed chemical and physical conditions in the marine atmosphere. Using these results, the mechanism was systematically reduced to maximize computational speed. Finally, the mechanism was coupled to the 3-mode modal aerosol version of the NCAR Community Atmosphere Model (CAM v3.6.33). Decadal-scale simulations with CAM v.3.6.33, were run both with and without reactive-halogen chemistry and with and without explicit treatment of particulate organic carbon in the marine aerosol source function. Simulated results were interpreted (1) to evaluate influences

Atmospheric Photooxidation Products and Chemistry of Current-use Pesticides

Science.gov (United States)

Murschell, T.; Farmer, D.

2017-12-01

Pesticides are widely used in agricultural, commercial, and residential applications across the United States. Pesticides can volatilize off targets and travel long distances, with atmospheric lifetimes determined by both physical and chemical loss processes. In particular, oxidation by the hydroxyl radical (OH) can reduce the lifetime and thus atmospheric transport of pesticides, though the rates and oxidation products of atmospheric pesticide oxidation are poorly understood. Here, we investigate reactions of current-use pesticides with OH. MCPA, triclopyr, and fluroxypyr are herbicides that are often formulated together to target broadleaf weeds. We detect these species in the gas-phase using real-time high resolution chemical ionization mass spectrometry (CIMS) with both acetate and iodide reagent ions. We used an Oxidative Flow Reactor to explore OH radical oxidation and photolysis of these compounds, simulating up to 5 equivalent days of atmospheric aging by OH. Use of two ionization schemes allowed for the more complete representation of the OH radical oxidation of the three pesticides. The high resolution mass spectra allows us to deduce structures of the oxidation products and identify multi-generational chemistry. In addition, we observe nitrogen oxides, as well as isocyanic acid (HNCO), from some nitrogen-containing pesticides. We present yields of species of atmospheric importance, including NOx and halogen species and consider their impact on air quality following pesticide application.

Collaborative Research. Atmospheric Pressure Microplasma Chemistry-Photon Synergies

Energy Technology Data Exchange (ETDEWEB)

Park, Sung-Jin [Univ. of Illinois, Urbana, IL (United States); Eden, James Gary [Univ. of Illinois, Urbana, IL (United States)

2015-12-01

Combining the effects of low temperature, atmospheric pressure microplasmas and microplasma photon sources offers the promise of greatly expanding the range of applications for each of them. The plasma sources create active chemical species and these can be activated further by the addition of photons and the associated photochemistry. There are many ways to combine the effects of plasma chemistry and photochemistry, especially if there are multiple phases present. This project combined the construction of appropriate test experimental systems, various spectroscopic diagnostics and mathematical modeling. Through a continuous discussion and co-design process with the UC-Berkeley Team, we have successfully completed the fabrication and testing of all components for a microplasma array-assisted system designed for photon-activated plasma chemistry research. Microcavity plasma lamps capable of generating more than 20 mW/cm² at 172 nm (Xe dimer) were fabricated with a custom form factor to mate to the plasma chemistry setup, and a lamp was current being installed by the Berkeley team so as to investigate plasma chemistry-photon synergies at a higher photon energy (~7.2 eV) as compared to the UVA treatment that is afforded by UV LEDs operating at 365 nm. In particular, motivated by the promising results from the Berkeley team with UVA treatment, we also produced the first generation of lamps that can generate photons in the 300-370 nm wavelength range. Another set of experiments, conducted under the auspices of this grant, involved the use of plasma microjet arrays. The combination of the photons and excited radicals produced by the plasma column resulted in broad area deactivation of bacteria.

The role of ammonia in the chemistry of atmospheric aerosols

International Nuclear Information System (INIS)

Brosset, C.

1979-01-01

Data is presented on the concentrations of hydrogen and ammonium ions in aerosol samples taken under various meteorological conditions in different areas of Sweden, and implications for the atmospheric chemistry of aerosols are discussed. Particle compositions at coastal and inland stations were determined during situations when particle concentrations increased as much as a hundred times due to atmospheric transport from Europe or air movements from the east or west. Analysis of particle compositions during both types of particle episodes reveals variations in the H(+)/NH4(+) ratio which indicate that particles present over agricultural areas take up ammonia from the ground and release it over a forest district with acid lakes. The ratio is found to be dependent on the atmospheric partial pressure of ammonia at equilibrium, with the flow of ammonia to or from the ground and transport conditions also likely to influence the ratio

Atmospheric chemistry, sources and sinks of carbon suboxide, C3O2

Science.gov (United States)

Keßel, Stephan; Cabrera-Perez, David; Horowitz, Abraham; Veres, Patrick R.; Sander, Rolf; Taraborrelli, Domenico; Tucceri, Maria; Crowley, John N.; Pozzer, Andrea; Stönner, Christof; Vereecken, Luc; Lelieveld, Jos; Williams, Jonathan

2017-07-01

Carbon suboxide, O = C = C = C = O, has been detected in ambient air samples and has the potential to be a noxious pollutant and oxidant precursor; however, its lifetime and fate in the atmosphere are largely unknown. In this work, we collect an extensive set of studies on the atmospheric chemistry of C3O2. Rate coefficients for the reactions of C3O2 with OH radicals and ozone were determined as kOH = (2.6 ± 0.5) × 10-12 cm3 molecule-1 s-1 at 295 K (independent of pressure between ˜ 25 and 1000 mbar) and kO3 chemistry-general circulation model. The results indicate sub-pptv levels at the Earth's surface, up to about 10 pptv in regions with relatively strong sources, e.g. influenced by biomass burning, and a mean lifetime of ˜ 3.2 days. These predictions carry considerable uncertainty, as more measurement data are needed to determine ambient concentrations and constrain the source strengths.

Non-OH Chemistry in Oxidation Flow Reactors for the Study of Atmospheric Chemistry Systematically Examined by Modeling

Science.gov (United States)

Peng, Zhe; Day, Douglas A.; Ortega, Amber M.; Palm, Brett B.; Hu, Weiwei; Stark, Harald; Li, Rui; Tsigaridis, Kostas; Brune, William H.; Jimenez, Jose L.

2016-01-01

Oxidation flow reactors (OFRs) using low-pressure Hg lamp emission at 185 and 254 nm produce OH radicals efficiently and are widely used in atmospheric chemistry and other fields. However, knowledge of detailed OFR chemistry is limited, allowing speculation in the literature about whether some non-OH reactants, including several not relevant for tropospheric chemistry, may play an important role in these OFRs. These non-OH reactants are UV radiation, O(1D), O(3P), and O3. In this study, we investigate the relative importance of other reactants to OH for the fate of reactant species in OFR under a wide range of conditions via box modeling. The relative importance of non-OH species is less sensitive to UV light intensity than to relative humidity (RH) and external OH reactivity (OHRext), as both non-OH reactants and OH scale roughly proportional to UV intensity. We show that for field studies in forested regions and also the urban area of Los Angeles, reactants of atmospheric interest are predominantly consumed by OH. We find that O(1D), O(3P), and O3 have relative contributions to VOC consumption that are similar or lower than in the troposphere. The impact of O atoms can be neglected under most conditions in both OFR and troposphere. Under pathological OFR conditions of low RH and/or high OHRext, the importance of non-OH reactants is enhanced because OH is suppressed. Some biogenics can have substantial destructions by O3, and photolysis at non-tropospheric wavelengths (185 and 254 nm) may also play a significant role in the degradation of some aromatics under pathological conditions. Working under low O2 with the OFR185 mode allows OH to completely dominate over O3 reactions even for the biogenic species most reactive with O3. Non-tropospheric VOC photolysis may have been a problem in some laboratory and source studies, but can be avoided or lessened in future studies by diluting source emissions and working at lower precursor concentrations in lab studies, and by

Collaborative Research: Atmospheric Pressure Microplasma Chemistry-Photon Synergies Final Report

Energy Technology Data Exchange (ETDEWEB)

Graves, David [Univ. of California, Berkeley, CA (United States)

2017-02-07

Combining the effects of low temperature, atmospheric pressure microplasmas and microplasma photon sources shows greatly expanded range of applications of each of them. The plasma sources create active chemical species and these can be activated further by addition of photons and associated photochemistry. There are many ways to combine the effects of plasma chemistry and photochemistry, especially if there are multiple phases present. The project combines construction of appropriate test experimental systems, various spectroscopic diagnostics and mathematical modeling.

Atmospheric sciences annual progress report, 1974

International Nuclear Information System (INIS)

Tucker, W.D.

1975-11-01

Activities in atmospheric sciences in the Department of Applied Science at Brookhaven National Laboratory carried out during 1974 are described. Included are contributions from the Meteorology, Atmospheric Diagnostics, Atmospheric Chemistry Research, and Atmospheric Instrumentation Groups. Programs in Meteorology reported on include diffusion from an off-shore source, plume dynamics studies, modeling of coastal effects on wind and temperature fields and pollutant distributions, effects of indoor shelter on inhalation of airborne radionuclides, chemical-dynamical interactions, techniques for determining acid-rain impact upon the ecology of the eastern U.S., and climatology. Work under Atmospheric Chemistry Research was concentrated on atmospheric aerosol studies, including formation by free radical and neutral association reactions, identification of reactive systems leading to aerosol formation, growth of sodium aerosols under atmospheric conditions and clustering reactions. Atmospheric Diagnostics presents work on field sampling and analytical technology for atmospheric pollutants, airborne sampling systems, atmospheric sulfate particulates methodology, and on a pyroturbidometric method for particulate sulfate discrimination and determination. Methodology for the use of sulfur hexafluoride in field tracer studies is discussed under Atmospheric Instrumentation. A list of publications is included

The role of human activity and land use change in atmospheric chemistry and air quality

International Nuclear Information System (INIS)

Penner, J.E.

1992-07-01

In the this paper, I review the importance of a mineral of fossil fuel emissions atmospheric chemistry, air quality, and climate. I then review current estimates of the sources for each specie, deriving the fraction of each source that is due to specific land use practices or land cover categories. Understanding the current trends of those species with known increasing abundances and projecting increases into the future is possible if the estimated sources from human activity and land use change can be projected and if the known atmospheric sinks and the interactions in atmospheric chemistry and climate change are appropriately taken into account. Regional trends in the short-lived species can be projected as well, assuming the estimated sources and sinks are correct. However, significant uncertainties continue to surround the estimated budgets for most of these species. Uncertainties and the estimated ranges in different source strength estimates for each are also discussed

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

NARCIS (Netherlands)

Ouwersloot, H.G.; Vilà-Guerau de Arellano, J.; Nölscher, A.C.; Krol, M.C.; Ganzeveld, L.N.; Breitenberger, C.; Mammarella, I.; Williams, J.; Lelieveld, J.

2012-01-01

We studied the atmospheric boundary layer (ABL) dynamics and the impact on atmospheric chemistry during the HUMPPA-COPEC-2010 campaign. We used vertical profiles of potential temperature and specific moisture, obtained from 132 radio soundings, to determine the main boundary layer characteristics

Influence of biomass burning emissions on precipitation chemistry in the equatorial forests of Africa

International Nuclear Information System (INIS)

Lacaux, J.P.; Lefeivre, B.; Delmas, R.A.; Cros, B.; Andreae, M.O.

1991-01-01

As part of the DESCAFE program (Dynamics and Chemistry of the Atmosphere in Equatorial Forest), measurements of precipitation chemistry were made at two sampling sites of the equatorial forest in the Republic of Congo. The measurements were made in order to identify and compare atmospheric sources of gases and particles (mainly biogenic sources and emissions from burning vegetation)

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.

Potential changes in atmospheric chemistry in the decades ahead: Climate and biosphere interactions and feedbacks

Energy Technology Data Exchange (ETDEWEB)

Gaffney, J.S.; Marley, N.A.

1991-10-01

Atmospheric chemistry is a challenging area of research where much knowledge is needed if we are to continue to survive as a species. This paper outlines research needs in the decades ahead in this key area of scientific endeavor. Highlighted are areas of research that are likely to lead to climatic and biospheric impacts and have been given little attention in the past. In particular, the possible organic transformation chemistries that may lead to chemical and physical changes in tropospheric cloud chemistries are highlighted and emphasized as an area where research is needed in the future. 22 refs.

ALMA observations of Titan's atmospheric chemistry and seasonal variation

Science.gov (United States)

Cordiner, Martin

2017-04-01

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

Introductory Linear Regression Programs in Undergraduate Chemistry.

Science.gov (United States)

Gale, Robert J.

1982-01-01

Presented are simple programs in BASIC and FORTRAN to apply the method of least squares. They calculate gradients and intercepts and express errors as standard deviations. An introduction of undergraduate students to such programs in a chemistry class is reviewed, and issues instructors should be aware of are noted. (MP)

Laboratory studies of nitrate radical chemistry - application to atmospheric processes

Energy Technology Data Exchange (ETDEWEB)

Noremsaune, Ingse

1997-12-31

This thesis studies atmospheric chemistry and tries in particular to fill gaps in the data base of atmospheric reactions. It studies the nitrate radical reactions with chloroethenes and with but-2-yne (2-butyne). The mechanisms and rate coefficients for the NO{sub 3}-initiated degradation of the chloroethenes and 2-butyne were investigated by means of the static reaction chamber and the fast flow-discharge technique. The reactions between the nitrate radical and the chloroethenes were studied at atmospheric pressure in a reaction chamber with synthetic air as bath gas. FTIR (Fourier Transform InfraRed spectroscopy) spectroscopy was used to follow the reactions and to identify the products. Products were observed for the reactions with (E)-1,2-dichloroethene and tetrachloroethene, although the absorption bands are weak. The alkyl peroxynitrate and nitrate compounds form very strong and characteristic absorption bands. The rate coefficients for the reactions between NO{sub 3} and the chloroethenes were investigated at room temperature by three different methods. The results are given in tables. 132 refs., 44 figs., 21 tabs.

On the use of plant emitted volatile organic compounds for atmospheric chemistry simulation experiments

Science.gov (United States)

Kiendler-Scharr, A.; Hohaus, T.; Yu, Z.; Tillmann, R.; Kuhn, U.; Andres, S.; Kaminski, M.; Wegener, R.; Novelli, A.; Fuchs, H.; Wahner, A.

2015-12-01

Biogenic volatile organic compounds (BVOC) contribute to about 90% of the emitted VOC globally with isoprene being one of the most abundant BVOC (Guenther 2002). Intensive efforts in studying and understanding the impact of BVOC on atmospheric chemistry were undertaken in the recent years. However many uncertainties remain, e.g. field studies have shown that in wooded areas measured OH reactivity can often not be explained by measured BVOC and their oxidation products (e.g. Noelscher et al. 2012). This discrepancy may be explained by either a lack of understanding of BVOC sources or insufficient understanding of BVOC oxidation mechanisms. Plants emit a complex VOC mixture containing likely many compounds which have not yet been measured or identified (Goldstein and Galbally 2007). A lack of understanding BVOC sources limits bottom-up estimates of secondary products of BVOC oxidation such as SOA. Similarly, the widespread oversimplification of atmospheric chemistry in simulation experiments, using single compound or simple BVOC mixtures to study atmospheric chemistry processes limit our ability to assess air quality and climate impacts of BVOC. We will present applications of the new extension PLUS (PLant chamber Unit for Simulation) to our atmosphere simulation chamber SAPHIR. PLUS is used to produce representative BVOC mixtures from direct plant emissions. We will report on the performance and characterization of the newly developed chamber. As an exemplary application, trees typical of a Boreal forest environment were used to compare OH reactivity as directly measured by LIF to the OH reactivity calculated from BVOC measured by GC-MS and PTRMS. The comparison was performed for both, primary emissions of trees without any influence of oxidizing agents and using different oxidation schemes. For the monoterpene emitters investigated here, we show that discrepancies between measured and calculated total OH reactivity increase with increasing degree of oxidation

The Atmospheric Chemistry of Methyl Chavicol (Estragole)

Science.gov (United States)

Bloss, W. J.; Alam, M. S.; Rickard, A. R.; Hamilton, J. F.; Pereira, K. F.; Camredon, M.; Munoz, A.; Vazquez, M.; Alacreu, P.; Rodenas, M.; Vera, T.

2012-12-01

The oxidation of volatile organic compounds (VOCs) leads to formation of ozone and secondary organic aerosols (SOA), with consequences for health, air quality, crop yields, atmospheric chemistry and radiative transfer. It is estimated that ca. 90 % of VOC emissions to the atmosphere originate from biogenic sources (BVOC); such emissions may increase under future climates. Recent field observations have identified Methyl Chavicol ("MC" hereafter, also known as Estragole; 1-allyl-4-methoxybenzene, C10H12O) as a major BVOC above pine forests in the USA [Bouvier-Brown et al., 2009], and within an oil palm plantation in Malaysian Borneo, where it was found that MC could represent the highest single floral contribution of reactive carbon to the atmosphere [Misztal et al., 2010]. Palm oil cultivation, and hence emissions of MC, may be expected to increase with societal food and biofuel demand. We present the results of a series of simulation chamber experiments to assess the atmospheric fate of MC. Experiments were performed in the EUPHORE (European Photoreactor) facility in Valencia, Spain (200 m3 outdoor smog chamber), investigating the degradation of MC by reaction with OH, O3 and NO3. An extensive range of measurement instrumentation was used to monitor precursor and product formation, including stable species (FTIR, PTR-MS, GC-FID and GC-MS), radical intermediates (LIF), inorganic components (NOx, O3, HONO (LOPAP and aerosol production (SMPS) and composition (PILS and filters; analysed offline by LC-MS and FTICR-MS). Experiments were conducted at a range of NOx:VOC ratios, and in the presence and absence of radical (OH) scavenger compounds. This chamber dataset is used to determine the rate constants for reaction of MC with OH, O3 and NO3, the ozonolysis radical yields, and identify the primary degradation products for each initiation route, alongside the aerosol mass yields. Aerosol composition measurements are analysed to identify markers for MC contributions to

Partial Overhaul and Initial Parallel Optimization of KINETICS, a Coupled Dynamics and Chemistry Atmosphere Model

Science.gov (United States)

Nguyen, Howard; Willacy, Karen; Allen, Mark

2012-01-01

KINETICS is a coupled dynamics and chemistry atmosphere model that is data intensive and computationally demanding. The potential performance gain from using a supercomputer motivates the adaptation from a serial version to a parallelized one. Although the initial parallelization had been done, bottlenecks caused by an abundance of communication calls between processors led to an unfavorable drop in performance. Before starting on the parallel optimization process, a partial overhaul was required because a large emphasis was placed on streamlining the code for user convenience and revising the program to accommodate the new supercomputers at Caltech and JPL. After the first round of optimizations, the partial runtime was reduced by a factor of 23; however, performance gains are dependent on the size of the data, the number of processors requested, and the computer used.

Atmospheric chemistry and environmental impact of the use of amines in carbon capture and storage (CCS).

Science.gov (United States)

Nielsen, Claus J; Herrmann, Hartmut; Weller, Christian

2012-10-07

This critical review addresses the atmospheric gas phase and aqueous phase amine chemistry that is relevant to potential emissions from amine-based carbon capture and storage (CCS). The focus is on amine, nitrosamine and nitramine degradation, and nitrosamine and nitramine formation processes. A comparison between the relative importance of the various atmospheric sinks for amines, nitrosamines and nitramines is presented.

Atmospheric Circulation, Chemistry, and Infrared Spectra of Titan-like Exoplanets around Different Stellar Types

Science.gov (United States)

Lora, Juan M.; Kataria, Tiffany; Gao, Peter

2018-01-01

With the discovery of ever smaller and colder exoplanets, terrestrial worlds with hazy atmospheres must be increasingly considered. Our solar system’s Titan is a prototypical hazy planet, whose atmosphere may be representative of a large number of planets in our Galaxy. As a step toward characterizing such worlds, we present simulations of exoplanets that resemble Titan but orbit three different stellar hosts: G, K, and M dwarf stars. We use general circulation and photochemistry models to explore the circulation and chemistry of these Titan-like planets under varying stellar spectra, in all cases assuming a Titan-like insolation. Due to the strong absorption of visible light by atmospheric haze, the redder radiation accompanying later stellar types produces more isothermal stratospheres, stronger meridional temperature gradients at mbar pressures, and deeper and stronger zonal winds. In all cases, the planets’ atmospheres are strongly superrotating, but meridional circulation cells are weaker aloft under redder starlight. The photochemistry of hydrocarbon and nitrile species varies with stellar spectra, with variations in the FUV/NUV flux ratio playing an important role. Our results tentatively suggest that column haze production rates could be similar under all three hosts, implying that planets around many different stars could have similar characteristics to Titan’s atmosphere. Lastly, we present theoretical emission spectra. Overall, our study indicates that, despite important and subtle differences, the circulation and chemistry of Titan-like exoplanets are relatively insensitive to differences in the host star. These findings may be further probed with future space-based facilities, like WFIRST, LUVOIR, HabEx, and OST.

Isotope and Nuclear Chemistry Division annual report, FY 1983

International Nuclear Information System (INIS)

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

1984-05-01

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

Isotope and Nuclear Chemistry Division annual report, FY 1983

Energy Technology Data Exchange (ETDEWEB)

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

1984-05-01

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

Isotope and Nuclear Chemistry Division annual report, FY 1984

International Nuclear Information System (INIS)

Heiken, J.H.

1985-04-01

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

Baseline atmospheric program Australia 1993

International Nuclear Information System (INIS)

Francey, R.J.; Dick, A.L.; Derek, N.

1996-01-01

This publication reports activities, program summaries and data from the Cape Grim Baseline Air Pollution Station in Tasmania, during the calendar year 1993. These activities represent Australia's main contribution to the Background Air Pollution Monitoring Network (BAPMoN), part of the World Meteorological Organization's Global Atmosphere Watch (GAW). The report includes 5 research reports covering trace gas sampling, ozone and radon interdependence, analysis of atmospheric dimethylsulfide and carbon-disulfide, sampling of trace gas composition of the troposphere, and sulfur aerosol/CCN relationship in marine air. Summaries of program reports for the calendar year 1993 are also included. Tabs., figs., refs

Systemic Changes in the Undergraduate Chemistry Curriculum Program Awards

Science.gov (United States)

1995-07-01

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

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

Energy Technology Data Exchange (ETDEWEB)

NONE

2011-07-01

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

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

International Nuclear Information System (INIS)

2011-01-01

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

Atmospheric Constraints on the Surface UV Environment of Mars at 3.9 Ga Relevant to Prebiotic Chemistry

Science.gov (United States)

Ranjan, Sukrit; Wordsworth, Robin; Sasselov, Dimitar D.

2017-08-01

Recent findings suggest that Mars may have been a clement environment for the emergence of life and may even have compared favorably to Earth in this regard. These findings have revived interest in the hypothesis that prebiotically important molecules or even nascent life may have formed on Mars and been transferred to Earth. UV light plays a key role in prebiotic chemistry. Characterizing the early martian surface UV environment is key to understanding how Mars compares to Earth as a venue for prebiotic chemistry. Here, we present two-stream, multilayer calculations of the UV surface radiance on Mars at 3.9 Ga to constrain the surface UV environment as a function of atmospheric state. We explore a wide range of atmospheric pressures, temperatures, and compositions that correspond to the diversity of martian atmospheric states consistent with available constraints. We include the effects of clouds and dust. We calculate dose rates to quantify the effect of different atmospheric states on UV-sensitive prebiotic chemistry. We find that, for normative clear-sky CO2-H2O atmospheres, the UV environment on young Mars is comparable to young Earth. This similarity is robust to moderate cloud cover; thick clouds (τcloud ≥ 100) are required to significantly affect the martian UV environment, because cloud absorption is degenerate with atmospheric CO2. On the other hand, absorption from SO2, H2S, and dust is nondegenerate with CO2, meaning that, if these constituents build up to significant levels, surface UV fluence can be suppressed. These absorbers have spectrally variable absorption, meaning that their presence affects prebiotic pathways in different ways. In particular, high SO2 environments may admit UV fluence that favors pathways conducive to abiogenesis over pathways unfavorable to it. However, better measurements of the spectral quantum yields of these pathways are required to evaluate this hypothesis definitively.

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

Directory of Open Access Journals (Sweden)

G. M. Wolfe

2011-02-01

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

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

The Atmospheric Chemistry and Climate Model Intercomparison Project (ACCMIP): Overview and Description of Models, Simulations and Climate Diagnostics

Science.gov (United States)

Lamarque, J.-F.; Shindell, D. T.; Naik, V.; Plummer, D.; Josse, B.; Righi, M.; Rumbold, S. T.; Schulz, M.; Skeie, R. B.; Strode, S.;

The atmospheric chemistry of methyl salicylate - reactions with atomic chlorine and with ozone

Energy Technology Data Exchange (ETDEWEB)

Canosa-Mas, C.E.; Duffy, J.M.; Thompson, K.C.; Wayne, R.P. [Physical and Theoretical Chemical Lab., Oxford (United Kingdom); King, M.D. [King' s College, London (United Kingdom). Dept. of Chemistry

2002-05-01

Methyl salicylate is one of a number of semiochemicals, signal molecules, emitted by herbivore-infested plants. These signal molecules attract predators of the herbivore, and the chemicals thus act indirectly as part of the defence mechanism of the plant. Previous studies have shown that ozone damage to plants can also elicit the emission of signal molecules. The fate of these signal molecules in the atmosphere is not known. Preliminary studies have been undertaken to examine the atmospheric chemistry of methyl salicylate for the first time. Rate coefficients for the reaction of methyl salicylate with atomic chlorine and with ozone have been determined; the values are (2.8()+-(0.3)x10{sup -12} and )approx4x10{sup -21} cm{sup 3} molecule{sup -1} s{sup -1}. These results suggest that neither reaction with atomic chlorine nor reaction with ozone will provide important loss routes for methyl salicylate in the atmosphere. The possible importance of photolysis of methyl salicylate in the atmosphere is considered. (Author)

The atmospheric chemistry of methyl salicylate—reactions with atomic chlorine and with ozone

Science.gov (United States)

Canosa-Mas, Carlos E.; Duffy, Justin M.; King, Martin D.; Thompson, Katherine C.; Wayne, Richard P.

Methyl salicylate is one of a number of semiochemicals, signal molecules, emitted by herbivore-infested plants. These signal molecules attract predators of the herbivore, and the chemicals thus act indirectly as part of the defence mechanism of the plant. Previous studies have shown that ozone damage to plants can also elicit the emission of signal molecules. The fate of these signal molecules in the atmosphere is not known. Preliminary studies have been undertaken to examine the atmospheric chemistry of methyl salicylate for the first time. Rate coefficients for the reaction of methyl salicylate with atomic chlorine and with ozone have been determined; the values are (2.8±0.3)×10 -12 and ˜4×10 -21 cm 3 molecule -1 s -1. These results suggest that neither reaction with atomic chlorine nor reaction with ozone will provide important loss routes for methyl salicylate in the atmosphere. The possible importance of photolysis of methyl salicylate in the atmosphere is considered.

Quantifying expert consensus against the existence of a secret, large-scale atmospheric spraying program

Science.gov (United States)

Shearer, Christine; West, Mick; Caldeira, Ken; Davis, Steven J.

2016-08-01

Nearly 17% of people in an international survey said they believed the existence of a secret large-scale atmospheric program (SLAP) to be true or partly true. SLAP is commonly referred to as ‘chemtrails’ or ‘covert geoengineering’, and has led to a number of websites purported to show evidence of widespread chemical spraying linked to negative impacts on human health and the environment. To address these claims, we surveyed two groups of experts—atmospheric chemists with expertize in condensation trails and geochemists working on atmospheric deposition of dust and pollution—to scientifically evaluate for the first time the claims of SLAP theorists. Results show that 76 of the 77 scientists (98.7%) that took part in this study said they had not encountered evidence of a SLAP, and that the data cited as evidence could be explained through other factors, including well-understood physics and chemistry associated with aircraft contrails and atmospheric aerosols. Our goal is not to sway those already convinced that there is a secret, large-scale spraying program—who often reject counter-evidence as further proof of their theories—but rather to establish a source of objective science that can inform public discourse.

A short overview of the microbial population in clouds: Potential roles in atmospheric chemistry and nucleation processes

Science.gov (United States)

Delort, Anne-Marie; Vaïtilingom, Mickael; Amato, Pierre; Sancelme, Martine; Parazols, Marius; Mailhot, Gilles; Laj, Paolo; Deguillaume, Laurent

2010-11-01

Recent studies showed that living microorganisms, including bacteria, fungi and yeasts, are present in the atmospheric water phase (fog and clouds) and their role in chemical processes may have been underestimated. At the interface between atmospheric science and microbiology, information about this field of science suffers from the fact that not all recent findings are efficiently conveyed to both scientific communities. The purpose of this paper is therefore to provide a short overview of recent work linked to living organisms in the atmospheric water phase, from their activation to cloud droplets and ice crystal, to their potential impact on atmospheric chemical processes. This paper is focused on the microorganisms present in clouds and on the role they could play in atmospheric chemistry and nucleation processes. First, the life cycle of microorganisms via the atmosphere is examined, including their aerosolization from sources, their integration into clouds and their wet deposition on the ground. Second, special attention is paid to the possible impacts of microorganisms on liquid and ice nucleation processes. Third, a short description of the microorganisms that have been found in clouds and their variability in numbers and diversity is presented, emphasizing some specific characteristics that could favour their occurrence in cloud droplets. In the last section, the potential role of microbial activity as an alternative route to photochemical reaction pathways in cloud chemistry is discussed.

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

Directory of Open Access Journals (Sweden)

G. Sarwar

2013-10-01

Full Text Available We incorporate the recently developed Regional Atmospheric Chemistry Mechanism (version 2, RACM2 into the Community Multiscale Air Quality modeling system for comparison with the existing 2005 Carbon Bond mechanism with updated toluene chemistry (CB05TU. Compared to CB05TU, RACM2 enhances the domain-wide monthly mean hydroxyl radical concentrations by 46% and nitric acid by 26%. However, it reduces hydrogen peroxide by 2%, peroxyacetic acid by 94%, methyl hydrogen peroxide by 19%, peroxyacetyl nitrate by 40%, and organic nitrate by 41%. RACM2 enhances ozone compared to CB05TU at all ambient levels. Although it exhibited greater overestimates at lower observed concentrations, it displayed an improved performance at higher observed concentrations. The RACM2 ozone predictions are also supported by increased ozone production efficiency that agrees better with observations. Compared to CB05TU, RACM2 enhances the domain-wide monthly mean sulfate by 10%, nitrate by 6%, ammonium by 10%, anthropogenic secondary organic aerosols by 42%, biogenic secondary organic aerosols by 5%, and in-cloud secondary organic aerosols by 7%. Increased inorganic and organic aerosols with RACM2 agree better with observed data. Any air pollution control strategies developed using the two mechanisms do not differ appreciably.

Aqueous organic chemistry in the atmosphere: sources and chemical processing of organic aerosols.

Science.gov (United States)

McNeill, V Faye

2015-02-03

Over the past decade, it has become clear that aqueous chemical processes occurring in cloud droplets and wet atmospheric particles are an important source of organic atmospheric particulate matter. Reactions of water-soluble volatile (or semivolatile) organic gases (VOCs or SVOCs) in these aqueous media lead to the formation of highly oxidized organic particulate matter (secondary organic aerosol; SOA) and key tracer species, such as organosulfates. These processes are often driven by a combination of anthropogenic and biogenic emissions, and therefore their accurate representation in models is important for effective air quality management. Despite considerable progress, mechanistic understanding of some key aqueous processes is still lacking, and these pathways are incompletely represented in 3D atmospheric chemistry and air quality models. In this article, the concepts, historical context, and current state of the science of aqueous pathways of SOA formation are discussed.

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

Directory of Open Access Journals (Sweden)

T. A. M. Pugh

2011-05-01

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

Graduate Education in Chemistry. The ACS Committee on Professional Training: Surveys of Programs and Participants.

Science.gov (United States)

American Chemical Society, Washington, DC.

This document reports on graduate education in chemistry concerning the nature of graduate programs. Contents include: (1) "Graduate Education in Chemistry in the United States: A Snapshot from the Late Twentieth Century"; (2) "A Survey of Ph.D. Programs in Chemistry"; (4) "The Master's Degree in Chemistry"; (5) "A Survey of Ph.D. Recipients in…

Advancement in reactor coolant chemistry management programs and related technology development in Taiwan

International Nuclear Information System (INIS)

Huang, C.S.; Lin, Chien C.

2000-01-01

Taiwan Power Company (TPC) has three nuclear power plants in operation with a total capacity of 51 GWe, contributing about 30% of electricity generation in Taiwan. The first two plants, Chinshan (CSNPP) and Kuosheng (KSNPP), are boiling water reactor plants, and the third one, Maanshan (MASNPP), is a pressurized water reactor plant. Each plant has two identical reactors. As many nuclear power plant operators worldwide, TPC is committed to operate the plants efficiently, economically, and safely. TPC has developed and implemented several chemistry improvement programs in recent years to improve the coolant chemistry in order to ( l ) protect structure materials from corrosion, (2) reduce radiation exposures to workers and (3) reduce radwaste production and radiation release to the environment. This paper describes TPC's experience in some water chemistry management, radwaste reduction and radiation exposure control programs. Future programs under planning, including implementation of hydrogen water chemistry (HWC) in BWRs, installation of condensate pre-filters, and development of on-line water chemistry monitoring system, are also be briefly discussed. In addition, some material related research and development programs will also be presented. (author)

Regulatory oversight strategy for chemistry program at Canadian nuclear power plants

International Nuclear Information System (INIS)

Kameswaran; Ram

2012-09-01

Chemistry program is one of the essential programs for the safe operation of a nuclear power plant. It helps to ensure the necessary integrity, reliability and availability of plant structures, systems and components important to safety. Additionally, the program plays an important role in asset preservation, limiting radiation exposure and environmental protection. A good chemistry program will minimize corrosion of materials, reduce activation products, minimize of the buildup of radioactive material leading to occupational radiation exposure and it helps limit the release of chemicals and radioactive materials to the environment. The legal basis for the chemistry oversight at Canadian NPPs is established by the Nuclear Safety and Control Act and its associated regulations. It draws on the Canadian Nuclear Safety Commission's regulatory framework and NPP operating license conditions that include applicable standards such as CAN/CSA N286-05 Management System Requirements for Nuclear Power Plants. This paper focuses on the regulatory oversight strategy used in Canada to assess the performance of chemistry program at the nuclear power plants (NPPs) licensed by CNSC. The strategy consists of a combination of inspection and performance monitoring activities. The activities are further supported from information gathered through staff inspections of cross-cutting areas such as maintenance, corrective-action follow-ups, event reviews and safety related performance indicators. (authors)

Oxidation of a new Biogenic VOC: Chamber Studies of the Atmospheric Chemistry of Methyl Chavicol

Science.gov (United States)

Bloss, William; Alam, Mohammed; Adbul Raheem, Modinah; Rickard, Andrew; Hamilton, Jacqui; Pereira, Kelly; Camredon, Marie; Munoz, Amalia; Vazquez, Monica; Vera, Teresa; Rodenas, Mila

2013-04-01

The oxidation of volatile organic compounds (VOCs) leads to formation of ozone and SOA, with consequences for air quality, health, crop yields, atmospheric chemistry and radiative transfer. Recent observations have identified Methyl Chavicol ("MC": Estragole; 1-allyl-4-methoxybenzene, C10H12O) as a major BVOC above pine forests in the USA, and oil palm plantations in Malaysian Borneo. Palm oil cultivation, and hence MC emissions, may be expected to increase with societal food and bio fuel demand. We present the results of a series of simulation chamber experiments to assess the atmospheric fate of MC. Experiments were performed in the EUPHORE facility, monitoring stable product species, radical intermediates, and aerosol production and composition. We determine rate constants for reaction of MC with OH and O3, and ozonolysis radical yields. Stable product measurements (FTIR, PTRMS, GC-SPME) are used to determine the yields of stable products formed from OH- and O3- initiated oxidation, and to develop an understanding of the initial stages of the MC degradation chemistry. A surrogate mechanism approach is used to simulate MC degradation within the MCM, evaluated in terms of ozone production measured in the chamber experiments, and applied to quantify the role of MC in the real atmosphere.

Environmental research program: FY 1987, annual report

International Nuclear Information System (INIS)

1988-03-01

This multidisciplinary research program includes fundamental and applied research in physics, chemistry, engineering, and biology, as well as research on the development of advanced methods of measurement and analysis. The Program's Annual Report contains summaries of research performed during FY 1987 in the areas of atmospheric aerosols, flue gas chemistry, combustion, membrane bioenergetics, and analytical chemistry. The main research interests of the Atmospheric Aerosol Research group concern the chemical and physical processes that occur in haze, clouds, and fogs. For their studies, the group is developing novel analytical and research methods for characterizing aerosol species. Aerosol research is performed in the laboratory and in the field. Studies of smoke emissions from fires and their possible effects on climatic change, especially as related to nuclear winter, are an example of the collaboration between the Atmospheric Aerosol Research and Combustion Research Groups

Environmental research program: FY 1987, annual report

Energy Technology Data Exchange (ETDEWEB)

1988-03-01

This multidisciplinary research program includes fundamental and applied research in physics, chemistry, engineering, and biology, as well as research on the development of advanced methods of measurement and analysis. The Program's Annual Report contains summaries of research performed during FY 1987 in the areas of atmospheric aerosols, flue gas chemistry, combustion, membrane bioenergetics, and analytical chemistry. The main research interests of the Atmospheric Aerosol Research group concern the chemical and physical processes that occur in haze, clouds, and fogs. For their studies, the group is developing novel analytical and research methods for characterizing aerosol species. Aerosol research is performed in the laboratory and in the field. Studies of smoke emissions from fires and their possible effects on climatic change, especially as related to nuclear winter, are an example of the collaboration between the Atmospheric Aerosol Research and Combustion Research Groups.

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

Science.gov (United States)

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

2015-01-01

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

CARBON-RICH GIANT PLANETS: ATMOSPHERIC CHEMISTRY, THERMAL INVERSIONS, SPECTRA, AND FORMATION CONDITIONS

Energy Technology Data Exchange (ETDEWEB)

Madhusudhan, Nikku [Department of Astrophysical Sciences, Princeton University, Princeton, NJ 08544 (United States); Mousis, Olivier [Institut UTINAM, CNRS-UMR 6213, Observatoire de Besancon, BP 1615, F-25010 Besancon Cedex (France); Johnson, Torrence V. [Jet Propulsion Laboratory, California Institute of Technology, Pasadena, CA 91109 (United States); Lunine, Jonathan I., E-mail: nmadhu@astro.princeton.edu [Department of Astronomy, Cornell University, Ithaca, NY 14853 (United States)

2011-12-20

The recent inference of a carbon-rich atmosphere, with C/O {>=} 1, in the hot Jupiter WASP-12b motivates the exotic new class of carbon-rich planets (CRPs). We report a detailed study of the atmospheric chemistry and spectroscopic signatures of carbon-rich giant (CRG) planets, the possibility of thermal inversions in their atmospheres, the compositions of icy planetesimals required for their formation via core accretion, and the apportionment of ices, rock, and volatiles in their envelopes. Our results show that CRG atmospheres probe a unique region in composition space, especially at high temperature (T). For atmospheres with C/O {>=} 1, and T {approx}> 1400 K in the observable atmosphere, most of the oxygen is bound up in CO, while H{sub 2}O is depleted and CH{sub 4} is enhanced by up to two or three orders of magnitude each, compared to equilibrium compositions with solar abundances (C/O = 0.54). These differences in the spectroscopically dominant species for the different C/O ratios cause equally distinct observable signatures in the spectra. As such, highly irradiated transiting giant exoplanets form ideal candidates to estimate atmospheric C/O ratios and to search for CRPs. We also find that the C/O ratio strongly affects the abundances of TiO and VO, which have been suggested to cause thermal inversions in highly irradiated hot Jupiter atmospheres. A C/O = 1 yields TiO and VO abundances of {approx}100 times lower than those obtained with equilibrium chemistry assuming solar abundances, at P {approx} 1 bar. Such a depletion is adequate to rule out thermal inversions due to TiO/VO even in the most highly irradiated hot Jupiters, such as WASP-12b. We estimate the compositions of the protoplanetary disk, the planetesimals, and the envelope of WASP-12b, and the mass of ices dissolved in the envelope, based on the observed atmospheric abundances. Adopting stellar abundances (C/O = 0.44) for the primordial disk composition and low-temperature formation conditions

Atmospheric Research 2016 Technical Highlights

Science.gov (United States)

Platnick, Steven

2017-01-01

Atmospheric research in the Earth Sciences Division (610) consists of research and technology development programs dedicated to advancing knowledge and understanding of the atmosphere and its interaction with the climate of Earth. The Divisions goals are to improve understanding of the dynamics and physical properties of precipitation, clouds, and aerosols; atmospheric chemistry, including the role of natural and anthropogenic trace species on the ozone balance in the stratosphere and the troposphere; and radiative properties of Earth's atmosphere and the influence of solar variability on the Earth's climate. Major research activities are carried out in the Mesoscale Atmospheric Processes Laboratory, the Climate and Radiation Laboratory, the Atmospheric Chemistry and Dynamics Laboratory, and the Wallops Field Support Office. The overall scope of the research covers an end-to-end process, starting with the identification of scientific problems, leading to observation requirements for remote-sensing platforms, technology and retrieval algorithm development; followed by flight projects and satellite missions; and eventually, resulting in data processing, analyses of measurements, and dissemination from flight projects and missions. Instrument scientists conceive, design, develop, and implement ultraviolet, infrared, optical, radar, laser, and lidar technology to remotely sense the atmosphere. Members of the various laboratories conduct field measurements for satellite sensor calibration and data validation, and carry out numerous modeling activities. These modeling activities include climate model simulations, modeling the chemistry and transport of trace species on regional-to-global scales, cloud resolving models, and developing the next-generation Earth system models. Satellite missions, field campaigns, peer-reviewed publications, and successful proposals are essential at every stage of the research process to meeting our goals and maintaining leadership of the

Trends in the chemistry of atmospheric deposition and surface waters in the Lake Maggiore catchment

Directory of Open Access Journals (Sweden)

M. Rogora

2001-01-01

Full Text Available The Lake Maggiore catchment is the area of Italy most affected by acid deposition. Trend analysis was performed on long-term (15-30 years series of chemical analyses of atmospheric deposition, four small rivers draining forested catchments and four high mountain lakes. An improvement in the quality of atmospheric deposition was detected, due to decreasing sulphate concentration and increasing pH. Similar trends were also found in high mountain lakes and in small rivers. Atmospheric deposition, however, is still providing a large and steady flux of nitrogen compounds (nitrate and ammonium which is causing increasing nitrogen saturation in forest ecosystems and increasing nitrate levels in rivers. Besides atmospheric deposition, an important factor controlling water acidification and recovery is the weathering of rocks and soils which may be influenced by climate warming. A further factor is the episodic deposition of Saharan calcareous dust which contributes significantly to base cation deposition. Keywords: trend, atmospheric deposition, nitrogen, stream water chemistry.

Discharge physics and chemistry of a novel atmospheric pressure plasma source

Energy Technology Data Exchange (ETDEWEB)

Park, J.; Henins, I.; Hermann, J.W.; Selwyn, G.S.; Jeong, J.Y.; Hickis, R.

1999-07-01

The atmospheric pressure plasma jet (APPJ) is a unique plasma source operating at atmospheric pressure. The APPJ operates with RF power and produces a stable non-thermal discharge in capacitively-coupled configuration. The discharge is spatially and temporally homogeneous and provides a unique gas phase chemistry that is well suited for various applications including etching, film deposition, surface treatment and decontamination of chemical and biological warfare (CBW) agents. A theoretical model shows electron densities of 0.2--2 x 10{sup 11} cm{sup {minus}3} for a helium discharge at a power level of 3--30 W cm{sup {minus}3}. The APPJ also produces a large flux, equivalent of up to 10,000 monolayer s{sup {minus}1}, of chemically-active, atomic and metastable molecular species which can impinge surfaces several cm downstream of the confined source. In addition, the efforts are in progress to measure the electron density using microwave diagnostics and to benchmark the gas phase chemical model by using LIF and titration.

The Howard University Program in Atmospheric Sciences (HUPAS): A Program Exemplifying Diversity and Opportunity

Science.gov (United States)

Morris, Vernon R.; Joseph, Everette; Smith, Sonya; Yu, Tsann-wang

2012-01-01

This paper discusses experiences and lessons learned from developing an interdisciplinary graduate program (IDP) during the last 10 y: The Howard University Graduate Program in Atmospheric Sciences (HUPAS). HUPAS is the first advanced degree program in the atmospheric sciences, or related fields such as meteorology and earth system sciences,…

The Howard University Program in Atmospheric Sciences: A Program Exemplifying Diversity and Excellence

Science.gov (United States)

Morria, V. R.; Demoz, B.; Joseph, E.

2017-12-01

The Howard University Graduate Program in Atmospheric Sciences (HUPAS) is the first advanced degree program in the atmospheric sciences instituted at a Historically Black College/University (HBCU) or at a Minority-Serving Institution (MSI). MSI in this context refers to academic institutions whose histories are grounded in serving minority students from their inception, rather than institutions whose student body demographics have evolved along with the "browning of America" and now meet recent Federal criteria for "minority-serving". HUPAS began in 1996 when initiatives within the Howard University Graduate School overlapped with the motivations of investigators within a NASA-funded University research center for starting a sustainable interdisciplinary program. After twenty years, the results have been the production of greater institutional depth and breadth of research in the geosciences and significant production of minority scientists contributing to the atmospheric sciences enterprise in various sectors. This presentation will highlight the development of the Howard University graduate program in atmospheric sciences, its impact on the national statistics for the production of underrepresented minority (URM) advanced degree holders in the atmospheric sciences, and some of the program's contributions to the diversity in geosciences and the National pipeline of talent from underrepresented groups. Over the past decade, Howard University is leading producer of African American and Hispanic female doctorates in atmospheric sciences - producing nearly half of all degree holders in the Nation. Specific examples of successful partnerships between this program and federal funding agencies such as NASA and NOAA which have been critical in the development process will also be highlighted. Finally, some of the student recruitment and retention strategies that have enabled the success of this program and statistics of student graduation will also be shared and

Application of inorganic mass spectrometry to problems in atmospheric chemistry

International Nuclear Information System (INIS)

Kelly, W.R.

1990-01-01

The measurement of isotopes by thermal ionization mass spectrometry is a highly sensitive and accurate technique which can be used to determine the concentration of specific nuclides as well as the isotopic composition in environmental samples. The first application uses isotope dilution which makes possible the determination of all elements with two or more stable isotopes in all types of matrices. The second application is a very powerful and useful application in atmospheric chemistry because it permits the use of stable isotopes as definitive intentional tracers of emissions from high temperature combustion sources. The use of stable isotopes of S, Nd, Sm, and U in the study of visibility, deposition, and definitive tracing of emissions will be presented

A Transition Program for Underprepared Students in General Chemistry: Diagnosis, Implementation, and Evaluation

Science.gov (United States)

Shields, Shawn P.; Hogrebe, Mark C.; Spees, William M.; Handlin, Larry B.; Noelken, Greg P.; Riley, Julie M.; Frey, Regina F.

2012-01-01

We developed an online exam to diagnose students who are underprepared for college-level general chemistry and implemented a program to support them during the general chemistry sequence. This transition program consists of extended-length recitations, peer-led team-learning (PLTL) study groups, and peer-mentoring groups. We evaluated this…

Prebiotic chemistry and atmospheric warming of early Earth by an active young Sun

Science.gov (United States)

Airapetian, V. S.; Glocer, A.; Gronoff, G.; Hébrard, E.; Danchi, W.

2016-06-01

Nitrogen is a critical ingredient of complex biological molecules. Molecular nitrogen, however, which was outgassed into the Earth’s early atmosphere, is relatively chemically inert and nitrogen fixation into more chemically reactive compounds requires high temperatures. Possible mechanisms of nitrogen fixation include lightning, atmospheric shock heating by meteorites, and solar ultraviolet radiation. Here we show that nitrogen fixation in the early terrestrial atmosphere can be explained by frequent and powerful coronal mass ejection events from the young Sun--so-called superflares. Using magnetohydrodynamic simulations constrained by Kepler Space Telescope observations, we find that successive superflare ejections produce shocks that accelerate energetic particles, which would have compressed the early Earth’s magnetosphere. The resulting extended polar cap openings provide pathways for energetic particles to penetrate into the atmosphere and, according to our atmospheric chemistry simulations, initiate reactions converting molecular nitrogen, carbon dioxide and methane to the potent greenhouse gas nitrous oxide as well as hydrogen cyanide, an essential compound for life. Furthermore, the destruction of N2, CO2 and CH4 suggests that these greenhouse gases cannot explain the stability of liquid water on the early Earth. Instead, we propose that the efficient formation of nitrous oxide could explain a warm early Earth.

Prebiotic Chemistry and Atmospheric Warming of Early Earth by an Active Young Sun

Science.gov (United States)

Airapetian, V. S.; Glocer, A.; Gronoff, G.; Hebrard, E.; Danchi, W.

2016-01-01

Nitrogen is a critical ingredient of complex biological molecules. Molecular nitrogen, however, which was outgassed Into the Earth's early atmosphere, is relatively chemically inert and nitrogen fixation into more chemically reactive compounds requires high temperatures. Possible mechanisms of nitrogen fixation include lightning, atmospheric shock heating by meteorites, and solar ultraviolet radiation. Here we show that nitrogen fixation in the early terrestrial atmosphere can be explained by frequent and powerful coronal mass ejection events from the young Sun -- so-called superflares. Using magnetohydrodynamic simulations constrained by Kepler Space Telescope observations, we find that successive superflare ejections produce shocks that accelerate energetic particles, which would have compressed the early Earth's magnetosphere. The resulting extended polar cap openings provide pathways for energetic particles to penetrate into the atmosphere and, according to our atmospheric chemistry simulations, initiate reactions converting molecular nitrogen, carbon dioxide and methane to the potent greenhouse gas nitrous oxide as well as hydrogen cyanide, an essential compound for life. Furthermore, the destruction of N2, C02 and CH, suggests that these greenhouse gases cannot explain the stability of liquid water on the early Earth. Instead, we propose that the efficient formation of nitrous oxide could explain a warm early Earth.

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

International Nuclear Information System (INIS)

Heiken, J.H.

1987-06-01

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

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

Energy Technology Data Exchange (ETDEWEB)

Heiken, J.H. (ed.)

1987-06-01

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

Atmospheric chemistry of n-CxF2x+1CHO (x = 1, 2, 3, 4)

DEFF Research Database (Denmark)

Hurley, M. D.; Ball, J. C.; Wallington, T. J.

2006-01-01

Smog chamber/FTIR techniques were used to study the atmospheric fate of n-C(x)F(2)(x)(+1)C(O) (x = 1, 2, 3, 4) radicals in 700 Torr O(2)/N(2) diluent at 298 +/- 3 K. A competition is observed between reaction with O(2) to form n-C(x)()F(2)(x)()(+1)C(O)O(2) radicals and decomposition to form n-C(x...... to the atmospheric chemistry of n-C(x)F(2)(x)(+1)C(O) radicals and their possible role in contributing to the formation of perfluorocarboxylic acids in the environment....

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

Energy Technology Data Exchange (ETDEWEB)

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

2000-01-01

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

Active Upper-atmosphere Chemistry and Dynamics from Polar Circulation Reversal on Titan

Science.gov (United States)

Teanby, Nicholas A.; Irwin, Patrick Gerard Joseph; Nixon, Conor A.; DeKok, Remco; Vinatier, Sandrine; Coustenis, Athena; Sefton-Nash, Elliot; Calcutt, Simon B.; Flasar, Michael F.

2012-01-01

Saturn's moon Titan has a nitrogen atmosphere comparable to Earth's, with a surface pressure of 1.4 bar. Numerical models reproduce the tropospheric conditions very well but have trouble explaining the observed middle-atmosphere temperatures, composition and winds. The top of the middle-atmosphere circulation has been thought to lie at an altitude of 450 to 500 kilometres, where there is a layer of haze that appears to be separated from the main haze deck. This 'detached' haze was previously explained as being due to the colocation of peak haze production and the limit of dynamical transport by the circulation's upper branch. Herewe report a build-up of trace gases over the south pole approximately two years after observing the 2009 post-equinox circulation reversal, from which we conclude that middle-atmosphere circulation must extend to an altitude of at least 600 kilometres. The primary drivers of this circulation are summer-hemisphere heating of haze by absorption of solar radiation and winter-hemisphere cooling due to infrared emission by haze and trace gases; our results therefore imply that these effects are important well into the thermosphere (altitudes higher than 500 kilometres). This requires both active upper-atmosphere chemistry, consistent with the detection of high-complexity molecules and ions at altitudes greater than 950 kilometres, and an alternative explanation for the detached haze, such as a transition in haze particle growth from monomers to fractal structures.

HIGH METALLICITY AND NON-EQUILIBRIUM CHEMISTRY IN THE DAYSIDE ATMOSPHERE OF HOT-NEPTUNE GJ 436b

International Nuclear Information System (INIS)

Madhusudhan, N.; Seager, S.

2011-01-01

We present a detailed analysis of the dayside atmosphere of the hot-Neptune GJ 436b, based on recent Spitzer observations. We report statistical constraints on the thermal and chemical properties of the planetary atmosphere, study correlations between the various molecular species, and discuss scenarios of equilibrium and non-equilibrium chemistry in GJ 436b. We model the atmosphere with a one-dimensional line-by-line radiative transfer code with parameterized molecular abundances and temperature structure. We explore the model parameter space with 10 6 models, using a Markov chain Monte Carlo scheme. Our results encompass previous findings, indicating a paucity of methane, an overabundance of CO and CO 2 , and a slight underabundance of H 2 O, as compared to equilibrium chemistry with solar metallicity. The concentrations of the species are highly correlated. Our best-fit, and most plausible, constraints require a CH 4 mixing ratio of 10 -7 to10 -6 , with CO ≥10 -3 , CO 2 ∼10 -6 to10 -4 , and H 2 O ≤10 -4 ; higher CH 4 would require much higher CO and CO 2 . Based on calculations of equilibrium and non-equilibrium chemistry, we find that the observed abundances can potentially be explained by a combination of high metallicity (∼10x solar) and vertical mixing with K zz ∼ 10 6 -10 7 cm 2 s -1 . The inferred metallicity is enhanced over that of the host star which is known to be consistent with solar metallicity. Our constraints rule out a dayside thermal inversion in GJ 436b. We emphasize that the constraints reported in this work depend crucially on the observations in the two Spitzer channels at 3.6 μm and 4.5 μm. Future observations with warm Spitzer and with the James Webb Space Telescope will be extremely important to improve upon the present constraints on the abundances of carbon species in the dayside atmosphere of GJ 436b.

Development of massively parallel quantum chemistry program SMASH

International Nuclear Information System (INIS)

Ishimura, Kazuya

2015-01-01

A massively parallel program for quantum chemistry calculations SMASH was released under the Apache License 2.0 in September 2014. The SMASH program is written in the Fortran90/95 language with MPI and OpenMP standards for parallelization. Frequently used routines, such as one- and two-electron integral calculations, are modularized to make program developments simple. The speed-up of the B3LYP energy calculation for (C 150 H 30 ) 2 with the cc-pVDZ basis set (4500 basis functions) was 50,499 on 98,304 cores of the K computer

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

International Nuclear Information System (INIS)

Heiken, J.H.

1986-04-01

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

Response of lake chemistry to atmospheric deposition and climate in selected Class I wilderness areas in the western United States, 1993-2009

Science.gov (United States)

Mast, M. Alisa

2011-01-01

The U.S. Geological Survey, in cooperation with the U.S. Department of Agriculture Forest Service, Air Resource Management, conducted a study to evaluate long-term trends in lake-water chemistry for 64 high-elevation lakes in selected Class I wilderness areas in Colorado, Idaho, Utah, and Wyoming during 1993 to 2009. Understanding how and why lake chemistry is changing in mountain areas is essential for effectively managing and protecting high-elevation aquatic ecosystems. Trends in emissions, atmospheric deposition, and climate variables (air temperature and precipitation amount) were evaluated over a similar period of record. A main objective of the study was to determine if changes in atmospheric deposition of contaminants in the Rocky Mountain region have resulted in measurable changes in the chemistry of high-elevation lakes. A second objective was to investigate linkages between lake chemistry and air temperature and precipitation to improve understanding of the sensitivity of mountain lakes to climate variability.

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

International Nuclear Information System (INIS)

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

1988-05-01

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

Implementation of the chemistry module MECCA (v2.5 in the modal aerosol version of the Community Atmosphere Model component (v3.6.33 of the Community Earth System Model

Directory of Open Access Journals (Sweden)

M. S. Long

2013-02-01

Full Text Available A coupled atmospheric chemistry and climate system model was developed using the modal aerosol version of the National Center for Atmospheric Research Community Atmosphere Model (modal-CAM; v3.6.33 and the Max Planck Institute for Chemistry's Module Efficiently Calculating the Chemistry of the Atmosphere (MECCA; v2.5 to provide enhanced resolution of multiphase processes, particularly those involving inorganic halogens, and associated impacts on atmospheric composition and climate. Three Rosenbrock solvers (Ros-2, Ros-3, RODAS-3 were tested in conjunction with the basic load-balancing options available to modal-CAM (1 to establish an optimal configuration of the implicitly-solved multiphase chemistry module that maximizes both computational speed and repeatability of Ros-2 and RODAS-3 results versus Ros-3, and (2 to identify potential implementation strategies for future versions of this and similar coupled systems. RODAS-3 was faster than Ros-2 and Ros-3 with good reproduction of Ros-3 results, while Ros-2 was both slower and substantially less reproducible relative to Ros-3 results. Modal-CAM with MECCA chemistry was a factor of 15 slower than modal-CAM using standard chemistry. MECCA chemistry integration times demonstrated a systematic frequency distribution for all three solvers, and revealed that the change in run-time performance was due to a change in the frequency distribution of chemical integration times; the peak frequency was similar for all solvers. This suggests that efficient chemistry-focused load-balancing schemes can be developed that rely on the parameters of this frequency distribution.

Evaluated kinetic and photochemical data for atmospheric chemistry: Volume V – heterogeneous reactions on solid substrates

Directory of Open Access Journals (Sweden)

J. N. Crowley

2010-09-01

Full Text Available This article, the fifth in the ACP journal series, presents data evaluated by the IUPAC Subcommittee on Gas Kinetic Data Evaluation for Atmospheric Chemistry. It covers the heterogeneous processes on surfaces of solid particles present in the atmosphere, for which uptake coefficients and adsorption parameters have been presented on the IUPAC website in 2010. The article consists of an introduction and guide to the evaluation, giving a unifying framework for parameterisation of atmospheric heterogeneous processes. We provide summary sheets containing the recommended uptake parameters for the evaluated processes. Four substantial appendices contain detailed data sheets for each process considered for ice, mineral dust, sulfuric acid hydrate and nitric acid hydrate surfaces, which provide information upon which the recommendations are made.

Atmospheric Radiation Measurement Program plan

International Nuclear Information System (INIS)

1990-02-01

In order to understand energy's role in anthropogenic global climate change, significant reliance is being placed on General Circulation Models (GCMs). A major goal is to foster the development of GCMs capable of predicting the timing and magnitude of greenhouse gas-induced global warming and the regional effects of such warming. The Atmospheric Radiation Measurement (ARM) Program will contribute to the Department of Energy goal by improving the treatment of cloud radiative forcing and feedbacks in GCMs. Two issues will be addressed: the radiation budget and its spectral dependence and the radiative and other properties of clouds. The experimental objective of the ARM Program is to characterize empirically the radiative processes in the Earth's atmosphere with improved resolution and accuracy. A key to this characterization is the effective treatment of cloud formation and cloud properties in GCMs. Through this characterization of radiative properties, it will be possible to understand both the forcing and feedback effects. 19 refs., 4 figs., 2 tabs

Development of massively parallel quantum chemistry program SMASH

Energy Technology Data Exchange (ETDEWEB)

Ishimura, Kazuya [Department of Theoretical and Computational Molecular Science, Institute for Molecular Science 38 Nishigo-Naka, Myodaiji, Okazaki, Aichi 444-8585 (Japan)

2015-12-31

A massively parallel program for quantum chemistry calculations SMASH was released under the Apache License 2.0 in September 2014. The SMASH program is written in the Fortran90/95 language with MPI and OpenMP standards for parallelization. Frequently used routines, such as one- and two-electron integral calculations, are modularized to make program developments simple. The speed-up of the B3LYP energy calculation for (C{sub 150}H{sub 30}){sub 2} with the cc-pVDZ basis set (4500 basis functions) was 50,499 on 98,304 cores of the K computer.

Chemistry technician performance evaluation program Palo Verde Nuclear Generating Station

International Nuclear Information System (INIS)

Shawver, J.M.

1992-01-01

The Arizona Nuclear Power Project (ANPP), a three-reactor site located 50 miles west of Phoenix, Arizona, has developed and implemented a program for evaluating individual chemistry technician analytical performance on a routine basis. About 45 chemistry technicians are employed at the site, 15 at each operating unit. The technicians routinely perform trace level analyses for impurities of concern to PWRs. Each month a set of blind samples is provided by an outside vendor. The blind samples contain 16 parameters which are matrixed to approximate the PWR's primary and secondary cycles. Nine technicians receive the samples, three from each operating unit, and perform the required analyses. Acceptance criteria for successful performance on the blind parameters is based on the values found in the Institute of Nuclear Power Operations (INPO) Document 83-016, Revision 2, August 1989, Chemistry Quality Control Program. The goal of the program is to have each technician demonstrate acceptable performance on each of 16 analytical parameters. On completion of each monthly set, a summary report of all of the analytical results for the sample set is prepared. From the summary report, analytical bias can be detected, technician performance is documented, and overall laboratory performance can be evaluated. The program has been very successful at satisfying the INPO requirement that the analytical performance of each individual technician should be checked on at least a six-month frequency for all important parameters measured. This paper describes the program as implemented at the Palo Verde Nuclear Generating Station and provides a summary report and trend and bias graphs for illustrative purposes

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

Science.gov (United States)

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

2012-11-01

Airborne desert dust influences radiative transfer, atmospheric chemistry and dynamics, as well as nutrient transport and deposition. It directly and indirectly affects climate on regional and global scales. Two versions of a parameterization scheme to compute desert dust emissions are incorporated into the atmospheric chemistry general circulation model EMAC (ECHAM5/MESSy2.41 Atmospheric Chemistry). One uses a globally uniform soil particle size distribution, whereas the other explicitly accounts for different soil textures worldwide. We have tested these two versions and investigated the sensitivity to input parameters, using remote sensing data from the Aerosol Robotic Network (AERONET) and dust concentrations and deposition measurements from the AeroCom dust benchmark database (and others). The two versions are shown to produce similar atmospheric dust loads in the N-African region, while they deviate in the Asian, Middle Eastern and S-American regions. The dust outflow from Africa over the Atlantic Ocean is accurately simulated by both schemes, in magnitude, location and seasonality. Approximately 70% of the modelled annual deposition data and 70-75% of the modelled monthly aerosol optical depth (AOD) in the Atlantic Ocean stations lay in the range 0.5 to 2 times the observations for all simulations. The two versions have similar performance, even though the total annual source differs by ~50%, which underscores the importance of transport and deposition processes (being the same for both versions). Even though the explicit soil particle size distribution is considered more realistic, the simpler scheme appears to perform better in several locations. This paper discusses the differences between the two versions of the dust emission scheme, focusing on their limitations and strengths in describing the global dust cycle and suggests possible future improvements.

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

Directory of Open Access Journals (Sweden)

M. Astitha

2012-11-01

Full Text Available Airborne desert dust influences radiative transfer, atmospheric chemistry and dynamics, as well as nutrient transport and deposition. It directly and indirectly affects climate on regional and global scales. Two versions of a parameterization scheme to compute desert dust emissions are incorporated into the atmospheric chemistry general circulation model EMAC (ECHAM5/MESSy2.41 Atmospheric Chemistry. One uses a globally uniform soil particle size distribution, whereas the other explicitly accounts for different soil textures worldwide. We have tested these two versions and investigated the sensitivity to input parameters, using remote sensing data from the Aerosol Robotic Network (AERONET and dust concentrations and deposition measurements from the AeroCom dust benchmark database (and others. The two versions are shown to produce similar atmospheric dust loads in the N-African region, while they deviate in the Asian, Middle Eastern and S-American regions. The dust outflow from Africa over the Atlantic Ocean is accurately simulated by both schemes, in magnitude, location and seasonality. Approximately 70% of the modelled annual deposition data and 70–75% of the modelled monthly aerosol optical depth (AOD in the Atlantic Ocean stations lay in the range 0.5 to 2 times the observations for all simulations. The two versions have similar performance, even though the total annual source differs by ~50%, which underscores the importance of transport and deposition processes (being the same for both versions. Even though the explicit soil particle size distribution is considered more realistic, the simpler scheme appears to perform better in several locations. This paper discusses the differences between the two versions of the dust emission scheme, focusing on their limitations and strengths in describing the global dust cycle and suggests possible future improvements.

Preface to the Special Issue on Climate-Chemistry Interactions: Atmospheric Ozone, Aerosols, and Clouds over East Asia

Directory of Open Access Journals (Sweden)

Wei-Chyung Wang and Jen-Ping Chen

2007-01-01

Full Text Available Atmospheric radiatively-important chemical constituents (e.g., O3 and aerosols are important to maintain the radiation balance of the Earth-atmosphere climate system, and changes in their concentration due to both natural causes and anthropogenic activities will induce climate changes. The distribution of these constituents is sensitive to the state of the climate (e.g., temperature, moisture, wind, and clouds. Therefore, rises in atmospheric temperature and water vapor, and changes in circulation and clouds in global warming can directly affect atmospheric chemistry with subsequent implications for these constituents. Although many coupling mechanisms are identified, the net effect of all these impacts on climate change is not well understood. In particular, changes in water vapor and clouds associated with the hydrologic cycle contain significant uncertainties.

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.

A Unique Master's Program in Combined Nuclear Technology and Nuclear Chemistry at Chalmers University of Technology, Sweden

International Nuclear Information System (INIS)

Skarnemark, Gunnar; Allard, Stefan; Ekberg, Christian; Nordlund, Anders

2009-01-01

The need for engineers and scientists who can ensure safe and secure use of nuclear energy is large in Sweden and internationally. Chalmers University of Technology is therefore launching a new 2-year master's program in Nuclear Engineering, with start from the autumn of 2009. The program is open to Swedish and foreign students. The program starts with compulsory courses dealing with the basics of nuclear chemistry and physics, radiation protection, nuclear power and reactors, nuclear fuel supply, nuclear waste management and nuclear safety and security. There are also compulsory courses in nuclear industry applications and sustainable energy futures. The subsequent elective courses can be chosen freely but there is also a possibility to choose informal tracks that concentrate on nuclear chemistry or reactor technology and physics. The nuclear chemistry track comprises courses in e.g. chemistry of lanthanides, actinides and transactinides, solvent extraction, radioecology and radioanalytical chemistry and radiopharmaceuticals. The program is finished with a one semester thesis project. This is probably a unique master program in the sense of its combination of deep courses in both nuclear technology and nuclear chemistry.

AECL research programs in chemistry

International Nuclear Information System (INIS)

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

1980-09-01

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

Poster 6: Influence of traces elements in the organic chemistry of upper atmosphere of Titan

Science.gov (United States)

Mathe, Christophe; Carrasco, Nathalie; Trainer, Melissa G.; Gautier, Thomas; Gavilan, Lisseth; Dubois, David; Li, Xiang

2016-06-01

In the upper atmosphere of Titan, complex chemistry leads to the formation of organic aerosols. Since the work of Khare et al. in 1984, several experiments investigated the formation of Titan aerosols, so called tholins, in the laboratory. It has been suggested that nitrogen-containing compounds may contribute significantly to the aerosols formation process. In this study, we focused on the influence of pyridine, the simplest nitrogenous aromatic hydrocarbon, on the chemistry of Titan's atmosphere and on aerosol formation. To assess the effect of pyridine on aerosol formation chemistry, we used two different experimental setups : a capacitively coupled radio-frequency (electronic impact), and a VUV Deuterium lamp (photochemistry) in a collaboration between LATMOS (Guyancourt) and NASA-GSFC (Greenbelt), respectively. Aerosols produced with both setups were first analyzed using a FTIR-ATR (Fourier Transform Infrared spectroscopy - Attenuated Total Reflection) with a spectral range of 4000-800 cm-1 to characterize their optical properties. Next the samples were analysed using a Bruker Autoflex Speed MALDI mass spectrometer with a m/z range up to 2000 Da in order to infer their composition. Infrared spectroscopy analysis showed that tholins produced with a nitrogen-methane gas mixture (95:5) and nitrogenpyridine gas mixture (99:250ppm) present very similar spectra features. Tholins produced with a mixture of nitrogenmethane-pyridine (99:1:250ppm) do not present aliphatic CH2 or CH3 vibrational signatures. This could indicate a cyclic polymerization by a pyridine skeleton. Mass spectrometry is still in progress to confirm this.

Simulating atmospheric composition over a South-East Asian tropical rainforest: performance of a chemistry box model

Directory of Open Access Journals (Sweden)

T. A. M. Pugh

2010-01-01

Full Text Available Atmospheric composition and chemistry above tropical rainforests is currently not well established, particularly for south-east Asia. In order to examine our understanding of chemical processes in this region, the performance of a box model of atmospheric boundary layer chemistry is tested against measurements made at the top of the rainforest canopy near Danum Valley, Malaysian Borneo. Multi-variate optimisation against ambient concentration measurements was used to estimate average canopy-scale emissions for isoprene, total monoterpenes and nitric oxide. The excellent agreement between estimated values and measured fluxes of isoprene and total monoterpenes provides confidence in the overall modelling strategy, and suggests that this method may be applied where measured fluxes are not available, assuming that the local chemistry and mixing are adequately understood. The largest contributors to the optimisation cost function at the point of best-fit are OH (29%, NO (22% and total peroxy radicals (27%. Several factors affect the modelled VOC chemistry. In particular concentrations of methacrolein (MACR and methyl-vinyl ketone (MVK are substantially overestimated, and the hydroxyl radical (OH concentration is substantially underestimated; as has been seen before in tropical rainforest studies. It is shown that inclusion of dry deposition of MACR and MVK and wet deposition of species with high Henry's Law values substantially improves the fit of these oxidised species, whilst also substantially decreasing the OH sink. Increasing OH production arbitrarily, through a simple OH recycling mechanism , adversely affects the model fit for volatile organic compounds (VOCs. Given the constraints on isoprene flux provided by measurements, a substantial decrease in the rate of reaction of VOCs with OH is the only remaining option to explain the measurement/model discrepancy for OH. A reduction in the isoprene+OH rate constant of 50%, in conjunction with

Chemical kinetics and modeling of planetary atmospheres

Science.gov (United States)

Yung, Yuk L.

1990-01-01

A unified overview is presented for chemical kinetics and chemical modeling in planetary atmospheres. The recent major advances in the understanding of the chemistry of the terrestrial atmosphere make the study of planets more interesting and relevant. A deeper understanding suggests that the important chemical cycles have a universal character that connects the different planets and ultimately link together the origin and evolution of the solar system. The completeness (or incompleteness) of the data base for chemical kinetics in planetary atmospheres will always be judged by comparison with that for the terrestrial atmosphere. In the latter case, the chemistry of H, O, N, and Cl species is well understood. S chemistry is poorly understood. In the atmospheres of Jovian planets and Titan, the C-H chemistry of simple species (containing 2 or less C atoms) is fairly well understood. The chemistry of higher hydrocarbons and the C-N, P-N chemistry is much less understood. In the atmosphere of Venus, the dominant chemistry is that of chlorine and sulfur, and very little is known about C1-S coupled chemistry. A new frontier for chemical kinetics both in the Earth and planetary atmospheres is the study of heterogeneous reactions. The formation of the ozone hole on Earth, the ubiquitous photochemical haze on Venus and in the Jovian planets and Titan all testify to the importance of heterogeneous reactions. It remains a challenge to connect the gas phase chemistry to the production of aerosols.

Simulation of comprehensive chemistry and atmospheric methane lifetime in the LGM with EMAC

Science.gov (United States)

Gromov, Sergey; Steil, Benedikt

2017-04-01

Past records of atmospheric methane (CH4) abundance/isotope composition may provide a substantial insight on C exchanges in the Earth System (ES). When simulated in the climate models, CH4 helps to identify climate parameters transitions via triggering of its different (natural) sources, with a proviso that its sinks are adequately represented in the model. The latter are still a matter of large uncertainty in the studies focussing on the interpretation of CH4 evolution throughout Last Glacial Maximum (LGM), judging the conferred span of tropospheric CH4 lifetime (λ) of 3-16 yr [1-4]. In this study, we attempt to: (i) deliver the most adequate estimate of the LGM atmospheric sink of CH4 in the EMAC AC-GCM [5] equipped with the comprehensive representation of atmospheric chemistry [6], (ii) reveal the ES and CH4 emission parameters that are most influential for λ and (iii) based on these findings, suggest a parameterisation for λ that may be consistently used in climate models. In pursuing (i) we have tuned the EMAC model for simulating LGM atmospheric chemistry state, including careful revisiting of the trace gases emissions from the biosphere, biomass burning/lightning source, etc. The latter affect the key simulated component bound with λ, viz. the abundance and distribution of the hydroxyl radicals (OH) which, upon reacting with CH4, constitute its main tropospheric sink. Our preliminary findings suggest that OH is buffered in the atmosphere in a similar fashion to preindustrial climate, which in line with the recent studies employing comprehensive chemistry mechanisms (e.g., [3]). The analysis in (ii) suggests that tropospheric λ values may be qualitatively described as a convolution of values typical for zonal domain with high and low photolytic recycling rates (i.e. tropics and extra-tropics), as in the latter a dependence of the zonal average λ value on the CH4 emission strength exists. We further use the extensive diagnostic in EMAC to infer the

Response of lake chemistry to changes in atmospheric deposition and climate in three high-elevation wilderness areas of Colorado

Science.gov (United States)

Mast, M. Alisa; Turk, John T.; Clow, David W.; Campbell, Donald D.

2011-01-01

Trends in precipitation chemistry and hydrologic and climatic data were examined as drivers of long-term changes in the chemical composition of high-elevation lakes in three wilderness areas in Colorado during 1985-2008. Sulfate concentrations in precipitation decreased at a rate of -0.15 to -0.55 μeq/l/year at 10 high-elevation National Atmospheric Deposition Program stations in the state during 1987-2008 reflecting regional reductions in SO2 emissions. In lakes where sulfate is primarily derived from atmospheric inputs, sulfate concentrations also decreased although the rates generally were less, ranging from -0.12 to -0.27 μeq/l/year. The similarity in timing and sulfur isotopic data support the hypothesis that decreases in atmospheric deposition are driving the response of high-elevation lakes in some areas of the state. By contrast, in lakes where sulfate is derived primarily from watershed weathering sources, sulfate concentrations showed sharp increases during 1985-2008. Analysis of long-term climate records indicates that annual air temperatures have increased between 0.45 and 0.93°C per decade throughout most mountainous areas of Colorado, suggesting climate as a factor. Isotopic data reveal that sulfate in these lakes is largely derived from pyrite, which may indicate climate warming is preferentially affecting the rate of pyrite weathering.

Atmospheric pollution. From processes to modelling

International Nuclear Information System (INIS)

Sportisse, B.

2008-01-01

Air quality, greenhouse effect, ozone hole, chemical or nuclear accidents.. All these phenomena are tightly linked to the chemical composition of atmosphere and to the atmospheric dispersion of pollutants. This book aims at supplying the main elements of understanding of 'atmospheric pollutions': stakes, physical processes involved, role of scientific expertise in decision making. Content: 1 - classifications and scales: chemical composition of the atmosphere, vertical structure, time scales (transport, residence); 2 - matter/light interaction: notions of radiative transfer, application to the Earth's atmosphere; 3 - some elements about the atmospheric boundary layer: notion of scales in meteorology, atmospheric boundary layer (ABL), thermal stratification and stability, description of ABL turbulence, elements of atmospheric dynamics, some elements about the urban climate; 4 - notions of atmospheric chemistry: characteristics, ozone stratospheric chemistry, ozone tropospheric chemistry, brief introduction to indoor air quality; 5 - aerosols, clouds and rains: aerosols and particulates, aerosols and clouds, acid rains and leaching; 6 - towards numerical simulation: equation of reactive dispersion, numerical methods for chemistry-transport models, numerical resolution of the general equation of aerosols dynamics (GDE), modern simulation chains, perspectives. (J.S.)

CPT Special Report: Survey of Ph.D. Programs in Chemistry.

Science.gov (United States)

Journal of Chemical Education, 1997

1997-01-01

Presents preliminary results from a survey taken by the American Chemical Society (ACS) Committee on Professional Training (CPT) to determine the current practices among 155 Ph.D. programs in chemistry. (DKM)

Investigating the Chemical Pathways to PAH- and PANH-Based Aerosols in Titan's Atmospheric chemistry

Science.gov (United States)

Sciamma-O'Brien, Ella Marion; Contreras, Cesar; Ricketts, Claire Louise; Salama, Farid

2011-01-01

A complex organic chemistry between Titan's two main constituents, N2 and CH4, leads to the production of more complex molecules and subsequently to solid organic aerosols. These aerosols are at the origin of the haze layers giving Titan its characteristic orange color. In situ measurements by the Ion Neutral Mass Spectrometer (INMS) and Cassini Plasma Spectrometer (CAPS) instruments onboard Cassini have revealed the presence of large amounts of neutral, positively and negatively charged heavy molecules in the ionosphere of Titan. In particular, benzene (C6H6) and toluene (C6H5CH3), which are critical precursors of polycyclic aromatic hydrocarbon (PAH) compounds, have been detected, suggesting that PAHs might play a role in the production of Titan s aerosols. Moreover, results from numerical models as well as laboratory simulations of Titan s atmospheric chemistry are also suggesting chemical pathways that link the simple precursor molecules resulting from the first steps of the N2-CH4 chemistry (C2H2, C2H4, HCN ...) to benzene, and to PAHs and nitrogen-containing PAHs (or PANHs) as precursors to the production of solid aerosols.

Jovian atmospheres

International Nuclear Information System (INIS)

Allison, M.; Travis, L.D.

1986-10-01

A conference on the atmosphere of Jupiter produced papers in the areas of thermal and ortho-para hydrogen structure, clouds and chemistry, atmospheric structure, global dynamics, synoptic features and processes, atmospheric dynamics, and future spaceflight opportunities. A session on the atmospheres of Uranus and Neptune was included, and the atmosphere of Saturn was discussed in several papers

Pacific Northwest Laboratory annual report for 1993 to the DOE Office of Energy Research. Part 3: Atmospheric and climate research

Energy Technology Data Exchange (ETDEWEB)

1994-05-01

The US Department of Energy`s (DOE`s) Office of Health and Environmental Research (OHER) atmospheric sciences and carbon dioxide research programs provide the DOE with scientifically defensible information on the local, regional, and global distributions of energy-related pollutants and their effects on climate. PNL has had a long history of technical leadership in the atmospheric sciences research programs within OHER. Within the Environmental Sciences Division of OHER, the Atmospheric Chemistry Program continues DOE`s long-term commitment to understanding the local, regional, and global effects of energy-related air pollutants. Research through direct measurement, numerical modeling, and analytical studies in the Atmospheric Chemistry Program emphasizes the long-range transport, chemical transformation, and removal of emitted pollutants, photochemically produced oxidant species, nitrogen-reservoir species, and aerosols. The atmospheric studies in Complex Terrain Program applies basic research on atmospheric boundary layer structure and evolution over inhomogeneous terrain to DOE`s site-specific and generic mission needs in site safety, air quality, and climate change. Research at PNL provides basic scientific underpinnings to DOE`s program of global climate research. Research projects within the core carbon dioxide and ocean research programs are now integrated with those in the Atmospheric Radiation Measurements, the Computer Hardware, Advanced Mathematics and Model Physics, and Quantitative Links program to form DOE`s contribution to the US Global Change Research Program. The description of ongoing atmospheric and climate research at PNL is organized in two broad research areas: atmospheric research; and climate research. This report describes the progress in fiscal year 1993 in each of these areas. Individual papers have been processed separately for inclusion in the appropriate data bases.

Upper atmosphere research at INPE

International Nuclear Information System (INIS)

Clemesha, B.R.

1984-01-01

Upper atmosphere research at INPE is mainly concerned with the chemistry and dynamics of the stratosphere, upper mesosphere and lower thermosphere, and the middle thermosphere. Experimental work includes lidar observations of the stratospheric aerosol, measurements of stratospheric ozone by Dobson spectrophotometers and by balloon and rocket-borne sondes, lidar measurements of atmospheric sodium, and photometric observations of O, O 2 , OH and Na emissions, including interferrometric measurements of the OI6300 emission for the purpose of determing thermospheric winds and temperature. The airglow observations also include measurements of a number of emissions produced by the precipitation of energetic neutral particles generated by charge exchange in the ring current. Some recent results of INPE's upper atmosphere program are presented. (Author) [pt

Atmospheric chemistry of CF3O radicals: Reaction with H2O

DEFF Research Database (Denmark)

Wallington, T.J.; Hurley, M.D.; Schneider, W.F.

1993-01-01

Evidence is presented that CF3O radicals react with H2O in the gas phase at 296 K to give CF3OH and OH radicals. This reaction is calculated to be exothermic by 1.7 kcal mol-I implying a surprisingly strong CF3O-H bond energy of 120 +/- 3 kcal mol-1. Results from a relative rate experimental study...... suggest that the rate constant for the reaction of CF3O radicals with H2O lies in the range (0.2-4.0) X 10(-17) cm3 molecule-1 s-1. Implications for the atmospheric chemistry of CF3O radicals are discussed....

Environmental research program. 1992 annual report

Energy Technology Data Exchange (ETDEWEB)

1993-07-01

The objective of the Environmental Research Program is to contribute to the understanding of the formation, mitigation, transport, transformation, and ecological effects of energy-related pollutants on the environment. The program is multidisciplinary and includes fundamental and applied research in chemistry, physics, biology, engineering, and ecology. The program undertakes research and development in efficient and environmentally benign combustion, pollution abatement and destruction, and novel methods of detection and analysis of criteria and non-criteria pollutants. This diverse group investigates combustion, atmospheric processes, flue-gas chemistry, and ecological systems.

NASA/MSFC FY90 Global Scale Atmospheric Processes Research Program Review

Science.gov (United States)

Leslie, Fred W. (Editor)

1990-01-01

Research supported by the Global Atmospheric Research Program at the Marshall Space Flight Center on atmospheric remote sensing, meteorology, numerical weather forecasting, satellite data analysis, cloud precipitation, atmospheric circulation, atmospheric models and related topics is discussed.

Modeling emissions for three-dimensional atmospheric chemistry transport models.

Science.gov (United States)

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

2018-01-24

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

Nitrogen Fixation by Photochemistry in the Atmosphere of Titan and Implications for Prebiotic Chemistry

Science.gov (United States)

Balucani, Nadia

The observation of N-containing organic molecules and the composition of the haze aerosols, as determined by the Aerosol Collector and Pyrolyser (ACP) on-board Huygens, are clear indications that some chemistry involving nitrogen active forms and hydrocarbons is operative in the upper atmosphere of Titan. Neutral-neutral reactions involving the first electronically excited state of atomic nitrogen, N(2D), and small hydrocarbons have the right prerequisites to be among the most significant pathways to formation of nitriles, imines and other simple N-containing organic molecules. The closed-shell products methanimine, ethanimine, ketenimine, 2H-azirine and the radical products CH3N, HCCN and CH2NCH can be the intermediate molecular species that, via addition reactions, polymerization and copolymerization form the N-rich organic aerosols of Titan as well as tholins in bulk reactors simulating Titan's atmosphere.

Organic chemistry in Titan's upper atmosphere and its astrobiological consequences: I. Views towards Cassini plasma spectrometer (CAPS) and ion neutral mass spectrometer (INMS) experiments in space

Science.gov (United States)

Ali, A.; Sittler, E. C.; Chornay, D.; Rowe, B. R.; Puzzarini, C.

2015-05-01

The discovery of carbocations and carbanions by Ion Neutral Mass Spectrometer (INMS) and the Cassini Plasma Spectrometer (CAPS) instruments onboard the Cassini spacecraft in Titan's upper atmosphere is truly amazing for astrochemists and astrobiologists. In this paper we identify the reaction mechanisms for the growth of the complex macromolecules observed by the CAPS Ion Beam Spectrometer (IBS) and Electron Spectrometer (ELS). This identification is based on a recently published paper (Ali et al., 2013. Planet. Space Sci. 87, 96) which emphasizes the role of Olah's nonclassical carbonium ion chemistry in the synthesis of the organic molecules observed in Titan's thermosphere and ionosphere by INMS. The main conclusion of that work was the demonstration of the presence of the cyclopropenyl cation - the simplest Huckel's aromatic molecule - and its cyclic methyl derivatives in Titan's atmosphere at high altitudes. In this study, we present the transition from simple aromatic molecules to the complex ortho-bridged bi- and tri-cyclic hydrocarbons, e.g., CH2+ mono-substituted naphthalene and phenanthrene, as well as the ortho- and peri-bridged tri-cyclic aromatic ring, e.g., perinaphthenyl cation. These rings could further grow into tetra-cyclic and the higher order ring polymers in Titan's upper atmosphere. Contrary to the pre-Cassini observations, the nitrogen chemistry of Titan's upper atmosphere is found to be extremely rich. A variety of N-containing hydrocarbons including the N-heterocycles where a CH group in the polycyclic rings mentioned above is replaced by an N atom, e.g., CH2+ substituted derivative of quinoline (benzopyridine), are found to be dominant in Titan's upper atmosphere. The mechanisms for the formation of complex molecular anions are discussed as well. It is proposed that many closed-shell complex carbocations after their formation first, in Titan's upper atmosphere, undergo the kinetics of electron recombination to form open-shell neutral

Atmospheric impact of the 1783–1784 Laki eruption: Part I Chemistry modelling

Directory of Open Access Journals (Sweden)

D. S. Stevenson

2003-01-01

Full Text Available Results from the first chemistry-transport model study of the impact of the 1783–1784 Laki fissure eruption (Iceland: 64°N, 17°W upon atmospheric composition are presented. The eruption released an estimated 61 Tg(S as SO2 into the troposphere and lower stratosphere. The model has a high resolution tropopause region, and detailed sulphur chemistry. The simulated SO2 plume spreads over much of the Northern Hemisphere, polewards of ~40°N. About 70% of the SO2 gas is directly deposited to the surface before it can be oxidised to sulphuric acid aerosol. The main SO2 oxidants, OH and H2O2, are depleted by up to 40% zonally, and the lifetime of SO2 consequently increases. Zonally averaged tropospheric SO2 concentrations over the first three months of the eruption exceed 20 ppbv, and sulphuric acid aerosol reaches ~2 ppbv. These compare to modelled pre-industrial/present-day values of 0.1/0.5 ppbv SO2 and 0.1/1.0 ppbv sulphate. A total sulphuric acid aerosol yield of 17–22 Tg(S is produced. The mean aerosol lifetime is 6–10 days, and the peak aerosol loading of the atmosphere is 1.4–1.7 Tg(S (equivalent to 5.9–7.1 Tg of hydrated sulphuric acid aerosol. These compare to modelled pre-industrial/present-day sulphate burdens of 0.28/0.81 Tg(S, and lifetimes of 6/5 days, respectively. Due to the relatively short atmospheric residence times of both SO2 and sulphate, the aerosol loading approximately mirrors the temporal evolution of emissions associated with the eruption. The model produces a reason-able simulation of the acid deposition found in Greenland ice cores. These results appear to be relatively insensitive to the vertical profile of emissions assumed, although if more of the emissions reached higher levels (>12 km, this would give longer lifetimes and larger aerosol yields. Introducing the emissions in episodes generates similar results to using monthly mean emissions, because the atmospheric lifetimes are similar to the repose periods

The ENVISAT Atmospheric Chemistry mission (GOMOS, MIPAS and SCIAMACHY) -Instrument status and mission evolution

Science.gov (United States)

Dehn, Angelika

The ENVISAT ESA's satellite was launched on a polar orbit on March 2002. It carries on-board three atmospheric chemistry instruments: GOMOS, MIPAS and SCIAMACHY [1]. At the present time, although the mission expected lifetime of 5 years has been already exceeded, all the payload modules are in good to excellent status. The only limiting factor is the available fuel that is used for orbit control manoeuvre. A new strategy was proposed [2] that will allow to save fuel and to extend the mission up to 2013. Following this strategy, the altitude of the orbit will be lowered by 17 km starting from end of 2010 and the inclination will be allowed to drift. The new orbit scenario will result in a new repeating cycle with a variation of the Mean Local Solar Time (MLST). This will have an impact on both the in-flight operations, on the science data and on the mission. The simulations carried out for the atmospheric chemistry instruments show that the new orbit strategy will neither have a significant impact in the instrument operations nor on the quality of the science data. Therefore we expect that the atmospheric mission will continue nominally until the end of the platform life time, providing to the scientist a unique dataset of the most important geophysical parameters (e.g., trace gases, clouds, and aerosol) spanning a time interval of about 11 years. The aim of this paper is to review the overall ENVISAT atmospheric mission status for the past, present and future. The evolution of the instrument performances since launch will be analyzed with focus on the life-limited items monitoring. The tuning of the instrument in-flight operations decided to cope with instrument degradation or scientific needs will be described. The lessons learned on how to operate and monitor the instruments will be highlighted. Finally the expected evolution of the instrument performances until the ENVISAT end-of-life will be discussed. [1] H. Nett, J. Frerick, T. Paulsen, and G. Levrini, "The

The Chemistry of Atmosphere-Forest Exchange (CAFE Model – Part 1: Model description and characterization

Directory of Open Access Journals (Sweden)

G. M. Wolfe

2011-01-01

Full Text Available We present the Chemistry of Atmosphere-Forest Exchange (CAFE model, a vertically-resolved 1-D chemical transport model designed to probe the details of near-surface reactive gas exchange. CAFE integrates all key processes, including turbulent diffusion, emission, deposition and chemistry, throughout the forest canopy and mixed layer. CAFE utilizes the Master Chemical Mechanism (MCM and is the first model of its kind to incorporate a suite of reactions for the oxidation of monoterpenes and sesquiterpenes, providing a more comprehensive description of the oxidative chemistry occurring within and above the forest. We use CAFE to simulate a young Ponderosa pine forest in the Sierra Nevada, CA. Utilizing meteorological constraints from the BEARPEX-2007 field campaign, we assess the sensitivity of modeled fluxes to parameterizations of diffusion, laminar sublayer resistance and radiation extinction. To characterize the general chemical environment of this forest, we also present modeled mixing ratio profiles of biogenic hydrocarbons, hydrogen oxides and reactive nitrogen. The vertical profiles of these species demonstrate a range of structures and gradients that reflect the interplay of physical and chemical processes within the forest canopy, which can influence net exchange.

Photochemistry of Planetary Atmospheres

Science.gov (United States)

Yung, Y. L.

2005-12-01

The Space Age started half a century ago. Today, with the completion of a fairly detailed study of the planets of the Solar System, we have begun studying exoplanets (or extrasolar planets). The overriding question in is to ask whether an exoplanet is habitable and harbors life, and if so, what the biosignatures ought to be. This forces us to confront the fundamental question of what controls the composition of an atmosphere. The composition of a planetary atmosphere reflects a balance between thermodynamic equilibrium chemistry (as in the interior of giant planets) and photochemistry (as in the atmosphere of Mars). The terrestrial atmosphere has additional influence from life (biochemistry). The bulk of photochemistry in planetary atmospheres is driven by UV radiation. Photosynthesis may be considered an extension of photochemistry by inventing a molecule (chlorophyll) that can harvest visible light. Perhaps the most remarkable feature of photochemistry is catalytic chemistry, the ability of trace amounts of gases to profoundly affect the composition of the atmosphere. Notable examples include HOx (H, OH and HO2) chemistry on Mars and chlorine chemistry on Earth and Venus. Another remarkable feature of photochemistry is organic synthesis in the outer solar system. The best example is the atmosphere of Titan. Photolysis of methane results in the synthesis of more complex hydrocarbons. The hydrocarbon chemistry inevitably leads to the formation of high molecular weight products, giving rise to aerosols when the ambient atmosphere is cool enough for them to condense. These results are supported by the findings of the recent Cassini mission. Lastly, photochemistry leaves a distinctive isotopic signature that can be used to trace back the evolutionary history of the atmosphere. Examples include nitrogen isotopes on Mars and sulfur isotopes on Earth. Returning to the question of biosignatures on an exoplanet, our Solar System experience tells us to look for speciation

Radiological and Environmental Research Division annual report, January-December 1980. Atmospheric physics

International Nuclear Information System (INIS)

1981-08-01

Contained are twenty-six abstracts of on-going research programs at Argonne National Laboratory concerning the modeling of environmental air pollutants concentration and transport for January-December 1980. Studies on pollutant transport modeling, fluid flow models, and atmospheric precipitations chemistry are included

A two-dimensional atmospheric chemistry modeling investigation of Earth's Phanerozoic O3 and near-surface ultraviolet radiation history

Science.gov (United States)

Harfoot, Michael B. J.; Beerling, David J.; Lomax, Barry H.; Pyle, John A.

2007-04-01

We use the Cambridge two-dimensional (2-D) chemistry-radiation transport model to investigate the implications for column O3 and near-surface ultraviolet radiation (UV), of variations in atmospheric O2 content over the Phanerozoic (last 540 Myr). Model results confirm some earlier 1-D model investigations showing that global annual mean O3 column increases monotonically with atmospheric O2. Sensitivity studies indicate that changes in temperature and N2O exert a minor influence on O3 relative to O2. We reconstructed Earth's O3 history by interpolating the modeled relationship between O3 and O2 onto two Phanerozoic O2 histories. Our results indicate that the largest variation in Phanerozoic column O3 occurred between 400 and 200 Myr ago, corresponding to a rise in atmospheric O2 to ˜1.5 times the present atmospheric level (PAL) and subsequent fall to ˜0.5 PAL. The O3 response to this O2 decline shows latitudinal differences, thinning most at high latitudes (30-40 Dobson units (1 DU = 0.001 atm cm) at 66°N) and least at low latitudes (5-10 DU at 9°N) where a "self-healing" effect is evident. This O3 depletion coincides with significant increases in the near-surface biologically active UV radiation at high latitudes, +28% as weighted by the Thimijan spectral weighting function. O3 and UV changes were exacerbated when we incorporated a direct feedback of the terrestrial biosphere on atmospheric chemistry, through enhanced N2O production as the climate switched from an icehouse to a greenhouse mode. On the basis of a summary of field and laboratory experimental evidence, we suggest that these UV radiation increases may have exerted subtle rather than catastrophic effects on ecosystem processes.

Application of online chemistry monitoring programs and technology

International Nuclear Information System (INIS)

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

2010-01-01

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

Titan: a laboratory for prebiological organic chemistry

Science.gov (United States)

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

1992-01-01

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

An Exemplary Program in Higher Education for Chemists, Engineers, and Chemistry Teachers.

Science.gov (United States)

Ayers, Jerry B.; And Others

This paper presents the rationale, structure, and specifications for a model program for the preparation of chemists, chemical engineers, and high school chemistry teachers. The model (an application of systems technology to program development in higher education) is based on the structure provided by the Georgia Educational Model Specifications…

Applications of high power microwaves to atmospheric modification and measurement

International Nuclear Information System (INIS)

Benford, J.

1993-01-01

The current state of proposals to use high power microwaves in the atmosphere is reviewed. HPM has been proposed to aid in the conservation of stratospheric ozone by partial breakdown, facilitating chemistry to eliminate chlorine. Another proposal is over-the-horizon radar using a partial breakdown area in the ionosphere. A key to any such effort is rapid diagnosis of the state of the atmosphere before, during and after intervention. Technology requirements of these modification and measurement proposals are reviewed. The elements of an atmospheric modification program are identified and political, economic and ideological factors are discussed

Computational chemistry with transputers: A direct SCF program

International Nuclear Information System (INIS)

Wedig, U.; Burkhardt, A.; Schnering, H.G. von

1989-01-01

By using transputers it is possible to build up networks of parallel processors with varying topology. Due to the architecture of the processors it is appropriate to use the MIMD (multiple instruction multiple data) concept of parallel computing. The most suitable programming language is OCCAM. We investigate the use of transputer networks in computational chemistry, starting with the direct SCF method. The most time consuming step, the calculation of the two electron integrals is executed parallelly. Each node in the network calculates whole batches of integrals. The main program is written in OCCAM. For some large-scale arithmetic processes running on a single node, however, we used FORTRAN subroutines out of standard ab-initio programs to reduce the programming effort. Test calculations show, that the integral calculation step can be parallelled very efficiently. We observed a speed-up of almost 8 using eight network processors. Even in consideration of the scalar part of the SCF iteration, the speed-up is not less than 7.1. (orig.)

Chemistry and Transport In a Multi-Dimensional Model

Science.gov (United States)

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

2002-01-01

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

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.

Multi-year strategic plan for the Atmospheric Studies in Complex Terrain: ASCOT program

International Nuclear Information System (INIS)

1992-06-01

The Atmospheric Studies in Complex Terrain (ASCOT) program was developed by the Office of Health and Environmental Research of the Office of Energy Research in the Department of Energy (DOE). The program was originally designed to study atmospheric process in regions of complex terrain and the impact of energy sources on air quality in those regions. The ASCOT program has been the principal atmospheric boundary layer research program of DOE. This document contains a description of the ASCOT program's objectives over the next five years and beyond, placing them in the context of current and anticipated needs of DOE and initiatives described in the National Energy Strategy

Middle atmosphere response to different descriptions of the 11-yr solar cycle in spectral irradiance in a chemistry-climate model

Directory of Open Access Journals (Sweden)

W. H. Swartz

2012-07-01

Full Text Available The 11-yr solar cycle in solar spectral irradiance (SSI inferred from measurements by the SOlar Radiation & Climate Experiment (SORCE suggests a much larger variation in the ultraviolet than previously accepted. We present middle atmosphere ozone and temperature responses to the solar cycles in SORCE SSI and the ubiquitous Naval Research Laboratory (NRL SSI reconstruction using the Goddard Earth Observing System chemistry-climate model (GEOSCCM. The results are largely consistent with other recent modeling studies. The modeled ozone response is positive throughout the stratosphere and lower mesosphere using the NRL SSI, while the SORCE SSI produces a response that is larger in the lower stratosphere but out of phase with respect to total solar irradiance above 45 km. The modeled responses in total ozone are similar to those derived from satellite and ground-based measurements, 3–6 Dobson Units per 100 units of 10.7-cm radio flux (F_10.7 in the tropics. The peak zonal mean tropical temperature response using the SORCE SSI is nearly 2 K per 100 units F_10.7 – 3 times larger than the simulation using the NRL SSI. The GEOSCCM and the Goddard Space Flight Center (GSFC 2-D coupled model are used to examine how the SSI solar cycle affects the atmosphere through direct solar heating and photolysis processes individually. Middle atmosphere ozone is affected almost entirely through photolysis, whereas the solar cycle in temperature is caused both through direct heating and photolysis feedbacks, processes that are mostly linearly separable. This is important in that it means that chemistry-transport models should simulate the solar cycle in ozone well, while general circulation models without coupled chemistry will underestimate the temperature response to the solar cycle significantly in the middle atmosphere. Further, the net ozone response results from the balance of ozone production at wavelengths less than 242 nm

Atmospheric Chemistry in a Changing World

Science.gov (United States)

Brune, William H.

The world is changing,and the atmosphere's composition is changing with it. Human activity is responsible for much of this. Global population growth and migration to urban centers, extensive biomass burning, the spread of fertilizer-intensive agribusiness, globalization of business and industry, rising standards of living in the developing world, and increased energy use fuels atmospheric change. If current practices continue, atmospheric increases are likely for the greenhouse gases carbon dioxide, methane, nitrous oxide; and for the chemically active gases nitric oxide, sulfur dioxide,and ammonia. Increases in global tropospheric ozone and aerosols are a distinct possibility.

Present State of Knowledge of the Upper Atmosphere 1996: An Assessment Report to Congress and the Environmental Protection Agency

Science.gov (United States)

Kurylo, M. J.; Kaye, J. A.; Decola, P. L.; Friedl, R. R.; Peterson, D. B.

1997-01-01

This document is issued in response to the Clean Air Act Amendment of 1990, Public Law 101-549, which mandates that the National Aeronautics and Space Administration (NASA) and other key agencies submit triennial report to congress and the Environmental Protection Agency. NASA is charged with the responsibility to report on the state of our knowledge of the Earth's upper atmosphere, particularly the Stratosphere. Part 1 of this report summarizes the objectives, status, and accomplishments of the research tasks supported under NASA's Upper Atmosphere Research Program and Atmospheric Chemistry Modeling and Analysis Program for the period of 1994-1996. Part 2 (this document) presents summaries of several scientific assessments, reviews, and summaries. These include the executive summaries of two scientific assessments: (Section B) 'Scientific Assessment of Ozone Depletion: 1994'; (Section C) 'l995 Scientific Assessment of the Atmospheric Effects of Stratospheric Aircraft); end of mission/series statements for three stratospherically-focused measurement campaigns: (Section D) 'ATLAS End-of-Series Statement'; (Section E) 'ASHOE/MAESA End-of-Mission Statement'; (Section F) 'TOTE/VOTE End-of-Mission Statement'; a summary of NASA's latest biennial review of fundamental photochemical processes important to atmospheric chemistry 'Chemical Kinetics and Photochemical Data for Use in Stratospheric Modeling'; and (Section H) the section 'Atmospheric Ozone Research" from the Mission to Planet Earth Science Research Plan, which describes NASA's current and future research activities related to both tropospheric and stratospheric chemistry.

Do vibrationally excited OH molecules affect middle and upper atmospheric chemistry?

Directory of Open Access Journals (Sweden)

T. von Clarmann

2010-10-01

Full Text Available Except for a few reactions involving electronically excited molecular or atomic oxygen or nitrogen, atmospheric chemistry modelling usually assumes that the temperature dependence of reaction rates is characterized by Arrhenius' law involving kinetic temperatures. It is known, however, that in the upper atmosphere the vibrational temperatures may exceed the kinetic temperatures by several hundreds of Kelvins. This excess energy has an impact on the reaction rates. We have used upper atmospheric OH populations and reaction rate coefficients for OH(v=0...9+O₃ and OH(v=0...9+O to estimate the effective (i.e. population weighted reaction rates for various atmospheric conditions. We have found that the effective rate coefficient for OH(v=0...9+O₃ can be larger by a factor of up to 1470 than that involving OH in its vibrational ground state only. At altitudes where vibrationally excited states of OH are highly populated, the OH reaction is a minor sink of O_x and O₃ compared to other reactions involving, e.g., atomic oxygen. Thus the impact of vibrationally excited OH on the ozone or O_x sink remains small. Among quiescent atmospheres under investigation, the largest while still small (less than 0.1% effect was found for the polar winter upper stratosphere and mesosphere. The contribution of the reaction of vibrationally excited OH with ozone to the OH sink is largest in the upper polar winter stratosphere (up to 4%, while its effect on the HO₂ source is larger in the lower thermosphere (up to 1.5% for polar winter and 2.5% for midlatitude night conditions. For OH(v=0...9+O the effective rate coefficients are lower by up to 11% than those involving OH in its vibrational ground state. The effects on the odd oxygen sink are negative and can reach −3% (midlatitudinal nighttime lowermost thermosphere, i.e. neglecting vibrational excitation overestimates the odd

Employing Popular Children's Literature to Teach Elementary School Chemistry: An Engaging Outreach Program

Science.gov (United States)

Wally, Laura M.; Levinger, Nancy E.; Grainger, David W.

2005-01-01

A chemistry outreach program to enthuse students of elementary school levels through employing popular children's literature Harry Potter is presented. The outreach activity performance found the students discovering new skills, learning more about science, and participating enthusiastically in the program without any added incentive from their…

Stellar Atmospheric Modelling for the ACCESS Program

Science.gov (United States)

Morris, Matthew; Kaiser, Mary Elizabeth; Bohlin, Ralph; Kurucz, Robert; ACCESS Team

2018-01-01

A goal of the ACCESS program (Absolute Color Calibration Experiment for Standard Stars) is to enable greater discrimination between theoretical astrophysical models and observations, where the comparison is limited by systematic errors associated with the relative flux calibration of the targets. To achieve these goals, ACCESS has been designed as a sub-orbital rocket borne payload and ground calibration program, to establish absolute flux calibration of stellar targets at flight candidates, as well as a selection of A and G stars from the CALSPEC database. Stellar atmosphere models were generated using Atlas 9 and Atlas 12 Kurucz stellar atmosphere software. The effective temperature, log(g), metallicity, and redenning were varied and the chi-squared statistic was minimized to obtain a best-fit model. A comparison of these models and the results from interpolation between grids of existing models will be presented. The impact of the flexibility of the Atlas 12 input parameters (e.g. solar metallicity fraction, abundances, microturbulent velocity) is being explored.

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.

Stream water chemistry in watersheds receiving different atmospheric inputs of H+, NH4+, NO3-, and SO42-1

Science.gov (United States)

Stottlemyer, R.

1997-01-01

Weekly precipitation and stream water samples were collected from small watersheds in Denali National Park, Alaska, the Fraser Experimental Forest, Colorado, Isle Royale National Park, Michigan, and the Calumet watershed on the south shore of Lake Superior, Michigan. The objective was to determine if stream water chemistry at the mouth and upstream stations reflected precipitation chemistry across a range of atmospheric inputs of H+, NH4+, NO3-, and SO42-. Volume-weighted precipitation H+, NH4+, NO3-, and SO42- concentrations varied 4 to 8 fold with concentrations highest at Calumet and lowest in Denali. Stream water chemistry varied among sites, but did not reflect precipitation chemistry. The Denali watershed, Rock Creek, had the lowest precipitation NO3- and SO42- concentrations, but the highest stream water NO3and SO42- concentrations. Among sites, the ratio of mean monthly upstream NO3- concentration to precipitation NO3- concentration declined (p 90 percent inputs) across inputs ranging from 0.12 to > 6 kg N ha-1 y-1. Factors possibly accounting for the weak or non-existent signal between stream water and precipitation ion concentrations include rapid modification of meltwater and precipitation chemistry by soil processes, and the presence of unfrozen soils which permits winter mineralization and nitrification to occur.

Integrative Biological Chemistry Program Includes the Use of Informatics Tools, GIS and SAS Software Applications

Science.gov (United States)

D'Souza, Malcolm J.; Kashmar, Richard J.; Hurst, Kent; Fiedler, Frank; Gross, Catherine E.; Deol, Jasbir K.; Wilson, Alora

2015-01-01

Wesley College is a private, primarily undergraduate minority-serving institution located in the historic district of Dover, Delaware (DE). The College recently revised its baccalaureate biological chemistry program requirements to include a one-semester Physical Chemistry for the Life Sciences course and project-based experiential learning…

Chemistry and climate change

International Nuclear Information System (INIS)

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

2016-01-01

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

Inter-Institutional Partnerships Propel A Successful Collaborative Undergraduate Degree Program In Chemistry.

Science.gov (United States)

D'Souza, Malcolm J; Wang, Qiquan

2012-10-01

Small private liberal arts colleges are increasingly tuition-dependent and mainly attract students by creating student-centered learning communities. On the other hand, larger universities tend to be trendsetters where its faculty tend to seek intellectual independence and are involved in career focused cutting-edge research. The Institutional Development Awards (IDeA) and Experimental Program to Stimulate Competitive Research (EPSCoR) are federal-state-university partnerships that builds basic research infrastructure and coax the state-wide higher education institutions to collaborate with each other in order to enhance their competitiveness. As a result in Delaware, Wesley College instituted curricular and operational changes to launch an undergraduate program in biological chemistry where its students take three upper division chemistry courses and can choose to participate in annual summer undergraduate internships at nearby Delaware State University.

Department of Nuclear Physical Chemistry

International Nuclear Information System (INIS)

Mikulski, J.

1994-01-01

The research program at the Department of Nuclear Physical Chemistry of the Niewodniczanski Institute of Nuclear Physics is described. The Department consist of three laboratories. First - Laboratory of Physical Chemistry of Separation Processes on which the activity is concentrated on production and separation of neutron deficient isotopes for medical diagnostic. Recently, the main interest was in 111 In which is a promising tracer for cancer diagnostic. To increase the effectiveness of production of indium 111 In the reaction with deuterons on the enriched cadmium target was carried out instead of the previously used one with alpha particles on natural silver. In the second one - Laboratory of Chemistry and Radiochemistry - the systematic studies of physicochemical properties of transition elements in solutions are carried out. The results of the performed experiments were used for the elaboration of new rapid and selective methods for various elements. Some of these results have been applied for separation of trans actinide elements at U-400 cyclotron of JINR Dubna. The third one laboratory -Environmental Radioactivity Laboratory - conducts continuous monitoring of radioactivity contamination of atmosphere. The investigation of different radionuclides concentration in natural environment, mainly in the forest had been carried out

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.

Clouds and Chemistry in the Atmosphere of Extrasolar Planet HR8799b

Energy Technology Data Exchange (ETDEWEB)

Barman, T S; Macintosh, B A; Konopacky, Q M; Marois, C

2011-03-21

Using the integral field spectrograph OSIRIS, on the Keck II telescope, broad near-infrared H and K-band spectra of the young exoplanet HR8799b have been obtained. In addition, six new narrow-band photometric measurements have been taken across the H and K bands. These data are combined with previously published photometry for an analysis of the planet's atmospheric properties. Thick photospheric dust cloud opacity is invoked to explain the planet's red near-IR colors and relatively smooth near-IR spectrum. Strong water absorption is detected, indicating a Hydrogen-rich atmosphere. Only weak CH{sub 4} absorption is detected at K band, indicating efficient vertical mixing and a disequilibrium CO/CH{sub 4} ratio at photospheric depths. The H-band spectrum has a distinct triangular shape consistent with low surface gravity. New giant planet atmosphere models are compared to these data with best fitting bulk parameters, T{sub eff} = 1100K {+-} 100 and log(g) = 3.5 {+-} 0.5 (for solar composition). Given the observed luminosity (log L{sub obs}/L{sub {circle_dot}} {approx} -5.1), these values correspond to a radius of 0.75 R{sub Jup{sub 0.12}{sup +0.17}} and mass {approx} 0.72 M{sub Jup{sub -0.6}{sup +2.6}} - strikingly inconsistent with interior/evolution models. Enhanced metallicity (up to {approx} 10 x that of the Sun) along with thick clouds and non-equilibrium chemistry are likely required to reproduce the complete ensemble of spectroscopic and photometric data and the low effective temperatures (< 1000K) required by the evolution models.

OH, HO2, and HO2* Radical Chemistry During PROPHET-AMOS 2016: Measurements and Model Comparison

Science.gov (United States)

Bottorff, B.; Lew, M.; Rickly, P.; Stevens, P. S.

2017-12-01

The hydroxyl (OH) and peroxy radicals, both the hydroperoxy radical (HO2) and organic peroxy radicals (RO2), play an important role in atmospheric chemistry. In addition to controlling lifetimes of many trace gases important to issues of global climate change, reactions of these radicals can also lead to the production of ozone and secondary organic aerosols in the atmosphere. Previous measurements of these radicals in remote forest environments have shown serious discrepancies with modeled concentrations. These results bring into question our understanding of the atmospheric chemistry of isoprene and other biogenic VOCs under low NOX conditions. In the summer of 2016, OH, HO2 and HO2* (HO2 + αRO2) radicals were measured using the Indiana University Laser-Induced Fluorescence Fluorescence Assay by Gas Expansion (LIF-FAGE) technique as part of the Program for Research on Oxidants: PHtochemistry, Emissions, and Transport- Atmospheric Measurements of Oxidants in Summer (PROPHET-AMOS). This campaign took place in a forested area in northern Michigan characterized by high mixing ratios of isoprene and low mixing ratios of NOX. Ambient measurements from this campaign will be compared to previous measurements at this site and to modeled predictions using both the Regional Atmospheric Chemistry Mechanism (RACM2) and the Master Chemical Mechanism. Potential interferences associated with the OH measurements will also be examined.

The nitrogen cycle: Atmosphere interactions

Science.gov (United States)

Levine, J. S.

1984-01-01

Atmospheric interactions involving the nitrogen species are varied and complex. These interactions include photochemical reactions, initiated by the absorption of solar photons and chemical kinetic reactions, which involve both homogeneous (gas-to-gas reactions) and heterogeneous (gas-to-particle) reactions. Another important atmospheric interaction is the production of nitrogen oxides by atmospheric lightning. The nitrogen cycle strongly couples the biosphere and atmosphere. Many nitrogen species are produced by biogenic processes. Once in the atmosphere nitrogen oxides are photochemically and chemically transformed to nitrates, which are returned to the biosphere via precipitation, dry deposition and aerosols to close the biosphere-atmosphere nitrogen cycle. The sources, sinks and photochemistry/chemistry of the nitrogen species; atmospheric nitrogen species; souces and sinks of nitrous oxide; sources; sinks and photochemistry/chemistry of ammonia; seasonal variation of the vertical distribution of ammonia in the troposphere; surface and atmospheric sources of the nitrogen species, and seasonal variation of ground level ammonia are summarized.

Atmospheric Radiation Measurement Program Science Plan. Current Status and Future Directions of the ARM Science Program

Energy Technology Data Exchange (ETDEWEB)

Ackerman, Thomas P.; Del Genio, Anthony D.; Ellingson, Robert G.; Ferrare, Richard A.; Klein, Steve A.; McFarquhar, Gregory M.; Lamb, Peter J.; Long, Charles M.; Verlinde, Johannes

2004-10-30

The Atmospheric Radiation Measurement (ARM) Program has matured into one of the key programs in the U.S. Climate Change Science Program. The ARM Program has achieved considerable scientific success in a broad range of activities, including site and instrument development, atmospheric radiative transfer, aerosol science, determination of cloud properties, cloud modeling, and cloud parameterization testing and development. The focus of ARM science has naturally shifted during the last few years to an increasing emphasis on modeling and parameterization studies to take advantage of the long time series of data now available. During the next 5 years, the principal focus of the ARM science program will be to: Maintain the data record at the fixed ARM sites for at least the next five years; Improve significantly our understanding of and ability to parameterize the 3-D cloud-radiation problem at scales from the local atmospheric column to the global climate model (GCM) grid square; Continue developing techniques to retrieve the properties of all clouds, with a special focus on ice clouds and mixed-phase clouds; Develop a focused research effort on the indirect aerosol problem that spans observations, physical models, and climate model parameterizations; Implement and evaluate an operational methodology to calculate broad-band heating rates in the atmospheric columns at the ARM sites; Develop and implement methodologies to use ARM data more effectively to test atmospheric models, both at the cloud-resolving model scale and the GCM scale; and, Use these methodologies to diagnose cloud parameterization performance and then refine these parameterizations to improve the accuracy of climate model simulations. In addition, the ARM Program is actively developing a new ARM Mobile Facility (AMF) that will be available for short deployments (several months to a year or more) in climatically important regions. The AMF will have much of the same instrumentation as the remote

Non-OH chemistry in oxidation flow reactors for the study of atmospheric chemistry systematically examined by modeling

Directory of Open Access Journals (Sweden)

Z. Peng

2016-04-01

Full Text Available Oxidation flow reactors (OFRs using low-pressure Hg lamp emission at 185 and 254 nm produce OH radicals efficiently and are widely used in atmospheric chemistry and other fields. However, knowledge of detailed OFR chemistry is limited, allowing speculation in the literature about whether some non-OH reactants, including several not relevant for tropospheric chemistry, may play an important role in these OFRs. These non-OH reactants are UV radiation, O(1D, O(3P, and O3. In this study, we investigate the relative importance of other reactants to OH for the fate of reactant species in OFR under a wide range of conditions via box modeling. The relative importance of non-OH species is less sensitive to UV light intensity than to water vapor mixing ratio (H2O and external OH reactivity (OHRext, as both non-OH reactants and OH scale roughly proportionally to UV intensity. We show that for field studies in forested regions and also the urban area of Los Angeles, reactants of atmospheric interest are predominantly consumed by OH. We find that O(1D, O(3P, and O3 have relative contributions to volatile organic compound (VOC consumption that are similar or lower than in the troposphere. The impact of O atoms can be neglected under most conditions in both OFR and troposphere. We define “riskier OFR conditions” as those with either low H2O (< 0.1 % or high OHRext ( ≥  100 s−1 in OFR185 and > 200 s−1 in OFR254. We strongly suggest avoiding such conditions as the importance of non-OH reactants can be substantial for the most sensitive species, although OH may still dominate under some riskier conditions, depending on the species present. Photolysis at non-tropospheric wavelengths (185 and 254 nm may play a significant (> 20 % role in the degradation of some aromatics, as well as some oxidation intermediates, under riskier reactor conditions, if the quantum yields are high. Under riskier conditions, some biogenics can have

Applied Science Division annual report, Environmental Research Program FY 1983

International Nuclear Information System (INIS)

Cairns, E.J.; Novakov, T.

1984-05-01

The primary concern of the Environmental Research Program is the understanding of pollutant formation, transport, and transformation and the impacts of pollutants on the environment. These impacts include global, regional, and local effects on the atmosphere and hydrosphere, and on certain aspects of human health. This multidisciplinary research program includes fundamental and applied research in physics, chemistry, engineering, and biology, as well as research on the development of advanced methods of measurement and analysis. During FY 1983, research concentrated on atmospheric physics and chemistry, applied physics and laser spectroscopy, combustion theory and phenomena, environmental effects of oil shale processing, freshwater ecology and acid precipitation, trace element analysis for the investigation of present and historical environmental impacts, and a continuing survey of instrumentation for environmental monitoring

Framing a program designed to train new chemistry/physics teachers for California outlying regions

Science.gov (United States)

Bodily, Gerald P., Jr.

The purpose of this study was to develop guidelines for a new high school chemistry and physics teacher training program. Eleven participants were interviewed who attended daylong workshops, every other Saturday, for 10 months. The instructors used Modeling Instruction pedagogy and curriculum. All the instructors had high school teaching experience, but only one possessed a doctorate degree. The interview questions focused on four themes: motivation, epistemology, meta-cognition, and self-regulation; and the resulting transcripts were analyzed using a methodology called Interpretive Phenomenological Analysis. The cases expressed a strong preference for the program's instruction program over learning subject matter knowledge in university classrooms. The data indicated that the cases, as a group, were disciplined scholars seeking a deep understanding of the subject matter knowledge needed to teach high school chemistry and physics. Based on these results a new approach to training teachers was proposed, an approach that offers novel answers to the questions of how and who to train as science teachers. The how part of the training involves using a program called Modeling Instruction. Modeling instruction is currently used to upgrade experienced science teachers and, in the new approach, replaces the training traditionally administered by professional scientists in university science departments. The who aspect proposes that the participants be college graduates, selected not for university science training, but for their high school math and science background. It is further proposed that only 10 months of daily, face-to-face instruction is required to move the learner to a deep understanding of subject matter knowledge required to teach high school chemistry and physics. Two outcomes are sought by employing this new training paradigm, outcomes that have been unachievable by current educational practices. First, it is hoped that new chemistry and physics teachers can

Ablation, Thermal Response, and Chemistry Program for Analysis of Thermal Protection Systems

Science.gov (United States)

Milos, Frank S.; Chen, Yih-Kanq

2010-01-01

In previous work, the authors documented the Multicomponent Ablation Thermochemistry (MAT) and Fully Implicit Ablation and Thermal response (FIAT) programs. In this work, key features from MAT and FIAT were combined to create the new Fully Implicit Ablation, Thermal response, and Chemistry (FIATC) program. FIATC is fully compatible with FIAT (version 2.5) but has expanded capabilities to compute the multispecies surface chemistry and ablation rate as part of the surface energy balance. This new methodology eliminates B' tables, provides blown species fractions as a function of time, and enables calculations that would otherwise be impractical (e.g. 4+ dimensional tables) such as pyrolysis and ablation with kinetic rates or unequal diffusion coefficients. Equations and solution procedures are presented, then representative calculations of equilibrium and finite-rate ablation in flight and ground-test environments are discussed.

Modelling stratospheric chemistry in a global three-dimensional chemical transport model

Energy Technology Data Exchange (ETDEWEB)

Rummukainen, M [Finnish Meteorological Inst., Sodankylae (Finland). Sodankylae Observatory

1996-12-31

Numerical modelling of atmospheric chemistry aims to increase the understanding of the characteristics, the behavior and the evolution of atmospheric composition. These topics are of utmost importance in the study of climate change. The multitude of gases and particulates making up the atmosphere and the complicated interactions between them affect radiation transfer, atmospheric dynamics, and the impacts of anthropogenic and natural emissions. Chemical processes are fundamental factors in global warming, ozone depletion and atmospheric pollution problems in general. Much of the prevailing work on modelling stratospheric chemistry has so far been done with 1- and 2-dimensional models. Carrying an extensive chemistry parameterisation in a model with high spatial and temporal resolution is computationally heavy. Today, computers are becoming powerful enough to allow going over to 3-dimensional models. In order to concentrate on the chemistry, many Chemical Transport Models (CTM) are still run off-line, i.e. with precalculated and archived meteorology and radiation. In chemistry simulations, the archived values drive the model forward in time, without interacting with the chemical evolution. This is an approach that has been adopted in stratospheric chemistry modelling studies at the Finnish Meteorological Institute. In collaboration with the University of Oslo, a development project was initiated in 1993 to prepare a stratospheric chemistry parameterisation, fit for global 3-dimensional modelling. This article presents the parameterisation approach. Selected results are shown from basic photochemical simulations

Modelling stratospheric chemistry in a global three-dimensional chemical transport model

Energy Technology Data Exchange (ETDEWEB)

Rummukainen, M. [Finnish Meteorological Inst., Sodankylae (Finland). Sodankylae Observatory

1995-12-31

Numerical modelling of atmospheric chemistry aims to increase the understanding of the characteristics, the behavior and the evolution of atmospheric composition. These topics are of utmost importance in the study of climate change. The multitude of gases and particulates making up the atmosphere and the complicated interactions between them affect radiation transfer, atmospheric dynamics, and the impacts of anthropogenic and natural emissions. Chemical processes are fundamental factors in global warming, ozone depletion and atmospheric pollution problems in general. Much of the prevailing work on modelling stratospheric chemistry has so far been done with 1- and 2-dimensional models. Carrying an extensive chemistry parameterisation in a model with high spatial and temporal resolution is computationally heavy. Today, computers are becoming powerful enough to allow going over to 3-dimensional models. In order to concentrate on the chemistry, many Chemical Transport Models (CTM) are still run off-line, i.e. with precalculated and archived meteorology and radiation. In chemistry simulations, the archived values drive the model forward in time, without interacting with the chemical evolution. This is an approach that has been adopted in stratospheric chemistry modelling studies at the Finnish Meteorological Institute. In collaboration with the University of Oslo, a development project was initiated in 1993 to prepare a stratospheric chemistry parameterisation, fit for global 3-dimensional modelling. This article presents the parameterisation approach. Selected results are shown from basic photochemical simulations

Biomass burning in the tropics: Impact on atmospheric chemistry and biogeochemical cycles

International Nuclear Information System (INIS)

Crutzen, P.J.; Andreae, M.O.

1990-01-01

Biomass burning is widespread, especially in the tropics. It serves to clear land for shifting cultivation, to convert forests to agricultural and pastoral lands, and to remove dry vegetation in order to promote agricultural productivity and the growth of higher yield grasses. Furthermore, much agricultural waste and fuel wood is being combusted, particularly in developing countries. Biomass containing 2 to 5 petagrams of carbon is burned annually (1 petagram = 10 15 grams), producing large amounts of trace gases and aerosol particles that play important roles in atmospheric chemistry and climate. Emissions of carbon monoxide and methane by biomass burning affect the oxidation efficiency of the atmosphere by reacting with hydroxyl radicals, and emissions of nitric oxide and hydrocarbons lead to high ozone concentrations in the tropics during the dry season. Large quantities of smoke particles are produced as well, and these can serve as cloud condensation nuclei. These particles may thus substantially influence cloud microphysical and optical properties, an effect that could have repercussions for the radiation budget and the hydrological cycle in the tropics. Widespread burning may also disturb biogeochemical cycles, especially that of nitrogen. About 50% of the nitrogen in the biomass fuel can be released as molecular nitrogen. This pyrodenitrification process causes a sizable loss of fixed nitrogen in tropical ecosystems, in the range of 10 to 20 teragrams per year (1 teragram = 10 12 grams)

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.

Anthropogenous modifications of the atmosphere. The atmospheric ozone threat

International Nuclear Information System (INIS)

Aimedieu, P.

1991-01-01

Ozone role and atmospheric chemistry are first reviewed: chemical reactions and vertical distribution of ozone in the atmosphere. The origins of chlorofluorocarbon air pollution and the role of the various types of CFC on ozone depletion, greenhouse effect, cancer, etc. are then discussed. The political and environmental discussions concerning these phenomena are also reviewed

North-south cooperation in international atmospheric programs

Science.gov (United States)

Roederer, J. G.

The study of the inner workings of the atmosphere and how it links biosphere, oceans, soil, rocks, human systems and near-earth space into one single whole is one of the most difficult and ambitious endeavors of humankind. The biggest challenge is to identify and separate natural from human-induced changes and provide scientific information to allow governments formulate and implement policies that reconcile regional development with global environmental protection. Developing countries have a crucial role to play: they can offer much- needed human talent, labor and geographic coverage for the daunting task of monitoring and interpreting the complex, non-linear and chaotic system under study. Researchers engaged in the study of the atmosphere are confronted with scientific questions whose answers can have tremendous economic and political implications. This paper will discuss some of the organizational, political and psychological hurdles that must be considered and overcome in the planning of international programs of atmospheric research.

Tropospheric Halogen Chemistry

Science.gov (United States)

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

2003-12-01

Halogens are very reactive chemicals that are known to play an important role in anthropogenic stratospheric ozone depletion chemistry, first recognized by Molina and Rowland (1974). However, they also affect the chemistry of the troposphere. They are of special interest because they are involved in many reaction cycles that can affect the oxidation power of the atmosphere indirectly by influencing the main oxidants O3 and its photolysis product OH and directly, e.g., by reactions of the Cl radical with hydrocarbons (e.g., CH4).Already by the middle of the nineteenth century, Marchand (1852) reported the presence of bromine and iodine in rain and other natural waters. He also mentions the benefits of iodine in drinking water through the prevention of goitres and cretinism. In a prophetic monograph "Air and Rain: The Beginnings of a Chemical Climatology," Smith (1872) describes measurements of chloride in rain water, which he states to originate partly from the oceans by a process that he compares with the bursting of "soap bubbles" which produces "small vehicles" that transfer small spray droplets of seawater to the air. From deviations of the sulfate-to-chloride ratio in coastal rain compared to seawater, Smith concluded that chemical processes occur once the particles are airborne.For almost a century thereafter, however, atmospheric halogens received little attention. One exception was the work by Cauer (1939), who reported that iodine pollution has been significant in Western and Central Europe due to the inefficient burning of seaweed, causing mean gas phase atmospheric concentrations as high as or greater than 0.5 μg m-3. In his classical textbook Air Chemistry and Radioactivity, Junge (1963) devoted less than three pages to halogen gas phase chemistry, discussing chlorine and iodine. As reviewed by Eriksson (1959a, b), the main atmospheric source of halogens is sea salt, derived from the bursting of bubbles of air which are produced by ocean waves and other

Assessment of two physical parameterization schemes for desert dust emissions in an atmospheric chemistry general circulation model

Science.gov (United States)

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

2012-04-01

Atmospheric particulate matter and more specific desert dust has been the topic of numerous research studies in the past due to the wide range of impacts in the environment and climate and the uncertainty of characterizing and quantifying these impacts in a global scale. In this work we present two physical parameterizations of the desert dust production that have been incorporated in the atmospheric chemistry general circulation model EMAC (ECHAM5/MESSy2.41 Atmospheric Chemistry). The scope of this work is to assess the impact of the two physical parameterizations in the global distribution of desert dust and highlight the advantages and disadvantages of using either technique. The dust concentration and deposition has been evaluated using the AEROCOM dust dataset for the year 2000 and data from the MODIS and MISR satellites as well as sun-photometer data from the AERONET network was used to compare the modelled aerosol optical depth with observations. The implementation of the two parameterizations and the simulations using relatively high spatial resolution (T106~1.1deg) has highlighted the large spatial heterogeneity of the dust emission sources as well as the importance of the input parameters (soil size and texture, vegetation, surface wind speed). Also, sensitivity simulations with the nudging option using reanalysis data from ECMWF and without nudging have showed remarkable differences for some areas. Both parameterizations have revealed the difficulty of simulating all arid regions with the same assumptions and mechanisms. Depending on the arid region, each emission scheme performs more or less satisfactorily which leads to the necessity of treating each desert differently. Even though this is a quite different task to accomplish in a global model, some recommendations are given and ideas for future improvements.

Captive sea turtle rearing inventory, feeding, and water chemistry in sea turtle rearing tanks at NOAA Galveston 1995 to 2015 (NCEI Accession 0156869)

Data.gov (United States)

National Oceanic and Atmospheric Administration, Department of Commerce — The database contains Excel and CSV spreadsheets monitoring captive Sea Turtle rearing program. Daily feeding logs as well as water chemistry were recorded.

Impact of two chemistry mechanisms fully coupled with mesoscale model on the atmospheric pollutants distribution

Science.gov (United States)

Arteta, J.; Cautenet, S.; Taghavi, M.; Audiffren, N.

Air quality models (AQM) consist of many modules (meteorology, emission, chemistry, deposition), and in some conditions such as: vicinity of clouds or aerosols plumes, complex local circulations (mountains, sea breezes), fully coupled models (online method) are necessary. In order to study the impact of lumped chemical mechanisms in AQM simulations, we examine the ability of both different chemical mechanisms: (i) simplified: Condensed Version of the MOdèle de Chimie Atmosphérique 2.2 (CV-MOCA2.2), and (ii) reference: Regional Atmospheric Chemistry Model (RACM), which are coupled online with the Regional Atmospheric Modeling Systems (RAMS) model, on the distribution of pollutants. During the ESCOMPTE experiment (Expérience sur Site pour COntraindre les Modèles de Pollution et de Transport d'Emissions) conducted over Southern France (including urban and industrial zones), Intensive observation periods (IOP) characterized by various meteorological and mixed chemical conditions are simulated. For both configurations of modeling, numerical results are compared with surface measurements (75 stations) for primary (NO x) and secondary (O 3) species. We point out the impact of the two different chemical mechanisms on the production of species involved in the oxidizing capacity such as ozone and radicals within urban and industrial areas. We highlight that both chemical mechanisms produce very similar results for the main pollutants (NO x and O 3) in three-dimensional (3D) distribution, despite large discrepancies in 0D modeling. For ozone concentration, we found sometimes small differences (5-10 ppb) between the mechanisms under study according to the cases (polluted or not). The relative difference between the two mechanisms over the whole domain is only -7% for ozone from CV-MOCA 2.2 versus RACM. When the order of magnitude is needed rather than an accurate estimate, a reduced mechanism is satisfactory. It has the advantage of running faster (four times less than CPU

CNTB program for the analysis of partially mixed containment atmospheres during depressurization events

International Nuclear Information System (INIS)

Landoni, J.A.

1979-07-01

This program describes the analytical models for the CNTB computer program, which is permanently filed in the archive library of the General Atomic (GA) San Diego Data Center under reference number THSD-2699. Developed during the last four years, this computer program has been successfully applied in its presented form to the type of containment atmosphere transients illustrated in this report. For example, the CNTB computer program is applicable (1) to the design basis depressurization accident (DBDA) to determine the effect of the partial mixing on the containment atmospheric peak pressure (known as nonmixing penalty) and (2) for Class 9 accidents, such as the loss of forced circulation (LOFC), for the AIPA Phase I studies. The capability of the CNTB computer program has been substantially improved over its precursor, the CONTEMPT-G computer program, to predict the thermodynamic behavior of the containment atmosphere during helium releases, assuming partial mixing of the original air with the effluent and to predict the amount of the environmental leaks under closed and open containment conditions. In addition, the CNTB computer program running times are considerably below the ones required for the CONTEMPT-G computer program. Computational solution of the variable parameters in the containment atmosphere is effected by an iterative technique, while the temperatures for its boundaries are obtained by finite differences. The CNTB computer program, written in FORTRAN V, has been implemented at GA on the UNIVAC 1110 computer

A STUDY ON LEGIONELLA PNEUMOPHILA, WATER CHEMISTRY, AND ATMOSPHERIC CONDITIONS IN COOLING TOWERS AT THE SAVANNAH RIVER SITE

Energy Technology Data Exchange (ETDEWEB)

Smith, C.; Brigmon, R.

2009-10-20

Legionnaires disease is a pneumonia caused by the inhalation of the bacterium Legionella pneumophila. The majority of illnesses have been associated with cooling towers since these devices can harbor and disseminate the bacterium in the aerosolized mist generated by these systems. Historically, Savannah River Site (SRS) cooling towers have had occurrences of elevated levels of Legionella in all seasons of the year and in patterns that are difficult to predict. Since elevated Legionella in cooling tower water are a potential health concern a question has been raised as to the best control methodology. In this work we analyze available chemical, biological, and atmospheric data to determine the best method or key parameter for control. The SRS 4Q Industrial Hygiene Manual, 4Q-1203, 1 - G Cooling Tower Operation and the SRNL Legionella Sampling Program, states that 'Participation in the SRNL Legionella Sampling Program is MANDATORY for all operating cooling towers'. The resulting reports include L. pneumophila concentration information in cells/L. L. pneumophila concentrations >10{sup 7} cells/L are considered elevated and unsafe so action must be taken to reduce these densities. These remedial actions typically include increase biocide addition or 'shocking'. Sometimes additional actions are required if the problem persists including increase tower maintenance (e.g. cleaning). Evaluation of 14 SRS cooling towers, seven water quality parameters, and five Legionella serogroups over a three-plus year time frame demonstrated that cooling tower water Legionella densities varied widely though out this time period. In fact there was no one common consistent significant variable across all towers. The significant factors that did show up most frequently were related to suspended particulates, conductivity, pH, and dissolved oxygen, not chlorine or bromine as might be expected. Analyses of atmospheric data showed that there were more frequent significant

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

Science.gov (United States)

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

1991-10-01

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

Current Status of the Validation of the Atmospheric Chemistry Instruments on Envisat

Science.gov (United States)

Lecomte, P.; Koopman, R.; Zehner, C.; Laur, H.; Attema, E.; Wursteisen, P.; Snoeij, P.

2003-04-01

. As a first step the intention is to arrive at a first quality assessment of the data products for near-real time distribution. This core validation was performed during the commissioning and validation phase of Envisat. The results of this exercise have been presented at the Envisat Validation Workshop. It was already anticipated early in the program that more work needed to be done after this workshop on all Envisat data products both for near-real time and for off-line distribution. The algorithms designed to derive estimates of the atmospheric constitutes need to be verified. For this a large number of correlative observations under a wide range of conditions are needed to arrive at a representative and statistically significant data quality assessment, and to provide insight into sources of error both in the Envisat data and the correlative data sets. In order to achieve this within the tight time schedule the best use must be made of the available resources. For the Atmospheric Chemistry Instruments on Envisat it has therefore been decided to plan a joint geophysical validation programme that is not instrument specific but serves all three instruments. For the co-ordination of the activities the Atmospheric Chemistry Validation Team was formed (ACVT). The ACVT methods can roughly be categorised into different approaches and consistent with these the group is divided into different subgroups on · balloon and aircraft campaigns · ground-based measurements · model assimilation and satellite intercomparison The data coming from the various validation campaigns are stored within a central data storage facility established at the Norwegian Institute for Air Research (NILU) in Norway. NILU provides access to correlative measurements from sensors on-board satellites, aircraft, balloons and ships, as well as from ground-based instruments and numerical models, such as that of the ECMWF. Particular emphasis has been put on the quality control of such data. Users are

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

Energy Technology Data Exchange (ETDEWEB)

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

1997-11-01

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

Elements of environmental chemistry

National Research Council Canada - National Science Library

Hites, R. A; Raff, Jonathan D

2012-01-01

... more. Extensively revised, updated, and expanded, this second edition includes new chapters on atmospheric chemistry, climate change, and polychlorinated biphenyls and dioxins, and brominated flame retardants...

42 CFR 493.931 - Routine chemistry.

Science.gov (United States)

2010-10-01

... 42 Public Health 5 2010-10-01 2010-10-01 false Routine chemistry. 493.931 Section 493.931 Public... Proficiency Testing Programs by Specialty and Subspecialty § 493.931 Routine chemistry. (a) Program content and frequency of challenge. To be approved for proficiency testing for routine chemistry, a program...

BARTTest: Community-Standard Atmospheric Radiative-Transfer and Retrieval Tests

Science.gov (United States)

Harrington, Joseph; Himes, Michael D.; Cubillos, Patricio E.; Blecic, Jasmina; Challener, Ryan C.

2018-01-01

Atmospheric radiative transfer (RT) codes are used both to predict planetary and brown-dwarf spectra and in retrieval algorithms to infer atmospheric chemistry, clouds, and thermal structure from observations. Observational plans, theoretical models, and scientific results depend on the correctness of these calculations. Yet, the calculations are complex and the codes implementing them are often written without modern software-verification techniques. The community needs a suite of test calculations with analytically, numerically, or at least community-verified results. We therefore present the Bayesian Atmospheric Radiative Transfer Test Suite, or BARTTest. BARTTest has four categories of tests: analytically verified RT tests of simple atmospheres (single line in single layer, line blends, saturation, isothermal, multiple line-list combination, etc.), community-verified RT tests of complex atmospheres, synthetic retrieval tests on simulated data with known answers, and community-verified real-data retrieval tests.BARTTest is open-source software intended for community use and further development. It is available at https://github.com/ExOSPORTS/BARTTest. We propose this test suite as a standard for verifying atmospheric RT and retrieval codes, analogous to the Held-Suarez test for general circulation models. This work was supported by NASA Planetary Atmospheres grant NX12AI69G, NASA Astrophysics Data Analysis Program grant NNX13AF38G, and NASA Exoplanets Research Program grant NNX17AB62G.

Dimethylsulfide Chemistry: Annual, Seasonal, and Spatial Impacts on Sulfate

Science.gov (United States)

We incorporated oceanic emissions and atmospheric chemistry of dimethylsulfide (DMS) into the hemispheric Community Multiscale Air Quality model and performed annual model simulations without and with DMS chemistry. The model without DMS chemistry predicts higher concentrations o...

Gas phase ion chemistry

CERN Document Server

Bowers, Michael T

1979-01-01

Gas Phase Ion Chemistry, Volume 1 covers papers on the advances of gas phase ion chemistry. The book discusses the advances in flow tubes and the measurement of ion-molecule rate coefficients and product distributions; the ion chemistry of the earth's atmosphere; and the classical ion-molecule collision theory. The text also describes statistical methods in reaction dynamics; the state selection by photoion-photoelectron coincidence; and the effects of temperature and pressure in the kinetics of ion-molecule reactions. The energy distribution in the unimolecular decomposition of ions, as well

Comparison of precipitation chemistry measurements obtained by the Canadian Air and Precipitation Monitoring Network and National Atmospheric Deposition Program for the period 1995-2004

Science.gov (United States)

Wetherbee, Gregory A.; Shaw, Michael J.; Latysh, Natalie E.; Lehmann, Christopher M.B.; Rothert, Jane E.

2010-01-01

Precipitation chemistry and depth measurements obtained by the Canadian Air and Precipitation Monitoring Network (CAPMoN) and the US National Atmospheric Deposition Program/National Trends Network (NADP/NTN) were compared for the 10-year period 1995–2004. Colocated sets of CAPMoN and NADP instrumentation, consisting of precipitation collectors and rain gages, were operated simultaneously per standard protocols for each network at Sutton, Ontario and Frelighsburg, Ontario, Canada and at State College, PA, USA. CAPMoN samples were collected daily, and NADP samples were collected weekly, and samples were analyzed exclusively by each network’s laboratory for pH, H + , Ca2+  , Mg2+  , Na + , K + , NH+4 , Cl − , NO−3 , and SO2−4 . Weekly and annual precipitation-weighted mean concentrations for each network were compared. This study is a follow-up to an earlier internetwork comparison for the period 1986–1993, published by Alain Sirois, Robert Vet, and Dennis Lamb in 2000. Median weekly internetwork differences for 1995–2004 data were the same to slightly lower than for data for the previous study period (1986–1993) for all analytes except NO−3 , SO2−4 , and sample depth. A 1994 NADP sampling protocol change and a 1998 change in the types of filters used to process NADP samples reversed the previously identified negative bias in NADP data for hydrogen-ion and sodium concentrations. Statistically significant biases (α = 0.10) for sodium and hydrogen-ion concentrations observed in the 1986–1993 data were not significant for 1995–2004. Weekly CAPMoN measurements generally are higher than weekly NADP measurements due to differences in sample filtration and field instrumentation, not sample evaporation, contamination, or analytical laboratory differences.

42 CFR 493.929 - Chemistry.

Science.gov (United States)

2010-10-01

... 42 Public Health 5 2010-10-01 2010-10-01 false Chemistry. 493.929 Section 493.929 Public Health... Proficiency Testing Programs by Specialty and Subspecialty § 493.929 Chemistry. The subspecialties under the specialty of chemistry for which a proficiency testing program may offer proficiency testing are routine...

THE ROLE OF NITROGEN IN TITAN’S UPPER ATMOSPHERIC HYDROCARBON CHEMISTRY OVER THE SOLAR CYCLE

Energy Technology Data Exchange (ETDEWEB)

Luspay-Kuti, A.; Mandt, K. E.; Greathouse, T. K. [Department of Space Research, Southwest Research Institute, San Antonio, TX 78228 (United States); Westlake, J. H. [Johns Hopkins University Applied Physics Laboratory, Laurel, MD 20723 (United States); Plessis, S., E-mail: aluspaykuti@swri.edu [Fund Kis, F-92160 Antony (France)

2016-06-01

Titan’s thermospheric photochemistry is primarily driven by solar radiation. Similarly to other planetary atmospheres, such as Mars’, Titan’s atmospheric structure is also directly affected by variations in the solar extreme-UV/UV output in response to the 11-year-long solar cycle. Here, we investigate the influence of nitrogen on the vertical production, loss, and abundance profiles of hydrocarbons as a function of the solar cycle. Our results show that changes in the atmospheric nitrogen atomic density (primarily in its ground state N({sup 4}S)) as a result of photon flux variations have important implications for the production of several minor hydrocarbons. The solar minimum enhancement of CH{sub 3}, C{sub 2}H{sub 6}, and C{sub 3}H{sub 8}, despite the lower CH{sub 4} photodissociation rates compared with solar maximum conditions, is explained by the role of N({sup 4}S). N({sup 4}S) indirectly controls the altitude of termolecular versus bimolecular chemical regimes through its relationship with CH{sub 3}. When in higher abundance during solar maximum at lower altitudes, N({sup 4}S) increases the importance of bimolecular CH{sub 3} + N({sup 4}S) reactions producing HCN and H{sub 2}CN. The subsequent remarkable CH{sub 3} loss and decrease in the CH{sub 3} abundance at lower altitudes during solar maximum affects the overall hydrocarbon chemistry.

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

International Nuclear Information System (INIS)

Frazer, J.W.

1977-01-01

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

Peer Mentor Program for the General Chemistry Laboratory Designed to Improve Undergraduate STEM Retention

Science.gov (United States)

Damkaci, Fehmi; Braun, Timothy F.; Gublo, Kristin

2017-01-01

We describe the design and implementation of an undergraduate peer mentor program that can overlay an existing general chemistry laboratory and is designed to improve STEM student retention. For the first four freshman cohorts going through the program, year-to-year retention improved by a four-year average of 20% for students in peer-mentored…

Modeling the Explicit Chemistry of Anthropogenic and Biogenic Organic Aerosols

Energy Technology Data Exchange (ETDEWEB)

Madronich, Sasha [Univ. Corporation for Atmospheric Research, Boulder, CO (United States)

2015-12-09

The atmospheric burden of Secondary Organic Aerosols (SOA) remains one of the most important yet uncertain aspects of the radiative forcing of climate. This grant focused on improving our quantitative understanding of SOA formation and evolution, by developing, applying, and improving a highly detailed model of atmospheric organic chemistry, the Generation of Explicit Chemistry and Kinetics of Organics in the Atmosphere (GECKO-A) model. Eleven (11) publications have resulted from this grant.

Atmospheric Research 2014 Technical Highlights

Science.gov (United States)

Platnick, Steven

2015-01-01

Atmospheric research in the Earth Sciences Division (610) consists of research and technology development programs dedicated to advancing knowledge and understanding of the atmosphere and its interaction with the climate of Earth. The Division's goals are to improve understanding of the dynamics and physical properties of precipitation, clouds, and aerosols; atmospheric chemistry, including the role of natural and anthropogenic trace species on the ozone balance in the stratosphere and the troposphere; and radiative properties of Earth's atmosphere and the influence of solar variability on the Earth's climate. Major research activities are carried out in the Mesoscale Atmospheric Processes Laboratory, the Climate and Radiation Laboratory, the Atmospheric Chemistry and Dynamics Laboratory, and the Wallops Field Support Office. The overall scope of the research covers an end-to-end process, starting with the identification of scientific problems, leading to observation requirements for remote-sensing platforms, technology and retrieval algorithm development; followed by flight projects and satellite missions; and eventually, resulting in data processing, analyses of measurements, and dissemination from flight projects and missions. Instrument scientists conceive, design, develop, and implement ultraviolet, infrared, optical, radar, laser, and lidar technology to remotely sense the atmosphere. Members of the various Laboratories conduct field measurements for satellite sensor calibration and data validation, and carry out numerous modeling activities. These modeling activities include climate model simulations, modeling the chemistry and transport of trace species on regional-to-global scales, cloud resolving models, and developing the next-generation Earth system models. Satellite missions, field campaigns, peer-reviewed publications, and successful proposals are essential at every stage of the research process to meeting our goals and maintaining leadership of the

Composition, Chemistry, and Climate of the Atmosphere. 2: Mean properties of the atmosphere

Science.gov (United States)

Singh, Hanwant B. (Editor); Salstein, David A.

1994-01-01

The atmosphere can be defined as the relatively thin gaseous envelope surrounding the entire planet Earth. It possesses a number of properties related to its physical state and chemical composition, and it undergoes a variety of internal processes and external interactions that can either maintain or alter these properties. Whereas descriptions of the atmosphere's chemical properties form much of the remaining chapters of this book, the present chapter will highlight the atmosphere's gases, and these define its temperature structure. In contrast, the larger-scale motions comprise the winds, the global organization of which is often referred to as the general circulation. The framework of the dynamical and thermodynamical laws, including the three principles of conversation of mass, momentum, and energy, are fundamental in describing both the internal processes of the atmosphere and its external interactions. The atmosphere is not a closed system, because it exchanges all three of these internally conservative quantities across the atmosphere's boundary below and receives input from regions outside it. Thus surface fluxes of moisture, momentum, and heat occur to and from the underlying ocean and land. The atmosphere exchanges very little mass and momentum with space, though it absorbs directly a portion of the solar radiational energy received from above.

Program summaries for 1979: environmental programs

Energy Technology Data Exchange (ETDEWEB)

1979-12-01

Progress in research is reported for the three Divisions and one Group. Current programs in the Atmospheric Sciences Division include major participation in the multilaboratory cooperative Multistate Power Production Pollution Study - Regional Acidity of Industrial Emissions (MAP3S-RAINE), involving both field and modeling studies related to power-plant produced atmospheric pollutants on a regional scale, the study of the meteorology of the coastal land-sea interface, including both field and analytical activities, and field and modeling studies of the exchange of momentum, heat, and water vapor between the atmosphere and the ocean. The Environmental Chemistry Division is engaged in a wide range of programs including the development of methodologies and practical instrumentation for the detection and measurement of a variety of atmospheric constituents at ambient levels in real time in the field and in the laboratory, development and measurement of atmospheric tracers at extremely low levels, theoretical, laboratory, and field studies of the formation and behavior of aerosol particulates, and studies of gaseous and particulate emissions at power plants and in stack plumes in the atmosphere. The programs in Oceanographic Sciences include studies on coastal transport and diffusion, primary production and utilization, food chain dynamics, and ecosystems analysis. Emphasis in the Land and Freshwater Environmental Sciences Group has been on the effects of acid rain caused by energy-related pollutants on field crops, microbiota, and forest and freshwater ecosystems. Studies of the effects of acidification on the biota and biological processes of freshwater lakes are reported. Areas in the eastern United States sensitive to acidification were evaluated and mapped in a field and library study. (JGB)

Contrasting characteristics of sub-microsecond pulsed atmospheric air and atmospheric pressure helium-oxygen glow discharges

International Nuclear Information System (INIS)

Walsh, J L; Liu, D X; Iza, F; Kong, M G; Rong, M Z

2010-01-01

Glow discharges in air are often considered to be the ultimate low-temperature atmospheric pressure plasmas for numerous chamber-free applications. This is due to the ubiquitous presence of air and the perceived abundance of reactive oxygen and nitrogen species in air plasmas. In this paper, sub-microsecond pulsed atmospheric air plasmas are shown to produce a low concentration of excited oxygen atoms but an abundance of excited nitrogen species, UV photons and ozone molecules. This contrasts sharply with the efficient production of excited oxygen atoms in comparable helium-oxygen discharges. Relevant reaction chemistry analysed with a global model suggests that collisional excitation of O 2 by helium metastables is significantly more efficient than electron dissociative excitation of O 2 , electron excitation of O and ion-ion recombination. These results suggest different practical uses of the two oxygen-containing atmospheric discharges, with air plasmas being well suited for nitrogen and UV based chemistry and He-O 2 plasmas for excited atomic oxygen based chemistry. (fast track communication)

Containment Sodium Chemistry Models in MELCOR.

Energy Technology Data Exchange (ETDEWEB)

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

2017-04-01

To meet regulatory needs for sodium fast reactors’ future development, including licensing requirements, Sandia National Laboratories is modernizing MELCOR, a severe accident analysis computer code developed for the U.S. Nuclear Regulatory Commission (NRC). Specifically, Sandia is modernizing MELCOR to include the capability to model sodium reactors. However, Sandia’s modernization effort primarily focuses on the containment response aspects of the sodium reactor accidents. Sandia began modernizing MELCOR in 2013 to allow a sodium coolant, rather than water, for conventional light water reactors. In the past three years, Sandia has been implementing the sodium chemistry containment models in CONTAIN-LMR, a legacy NRC code, into MELCOR. These chemistry models include spray fire, pool fire and atmosphere chemistry models. Only the first two chemistry models have been implemented though it is intended to implement all these models into MELCOR. A new package called “NAC” has been created to manage the sodium chemistry model more efficiently. In 2017 Sandia began validating the implemented models in MELCOR by simulating available experiments. The CONTAIN-LMR sodium models include sodium atmosphere chemistry and sodium-concrete interaction models. This paper presents sodium property models, the implemented models, implementation issues, and a path towards validation against existing experimental data.

Design of and initial results from a Highly Instrumented Reactor for Atmospheric Chemistry (HIRAC

Directory of Open Access Journals (Sweden)

D. R. Glowacki

2007-10-01

Full Text Available The design of a Highly Instrumented Reactor for Atmospheric Chemistry (HIRAC is described and initial results obtained from HIRAC are presented. The ability of HIRAC to perform in-situ laser-induced fluorescence detection of OH and HO₂ radicals with the Fluorescence Assay by Gas Expansion (FAGE technique establishes it as internationally unique for a chamber of its size and pressure/temperature variable capabilities. In addition to the FAGE technique, HIRAC features a suite of analytical instrumentation, including: a multipass FTIR system; a conventional gas chromatography (GC instrument and a GC instrument for formaldehyde detection; NO/NO₂, CO, O₃, and H₂O vapour analysers. Ray tracing simulations and NO₂ actinometry have been utilized to develop a detailed model of the radiation field within HIRAC. Comparisons between the analysers and the FTIR coupled to HIRAC have been performed, and HIRAC has also been used to investigate pressure dependent kinetics of the chlorine atom reaction with ethene and the reaction of O₃ and t-2-butene. The results obtained are in good agreement with literature recommendations and Master Chemical Mechanism predictions. HIRAC thereby offers a highly instrumented platform with the potential for: (1 high precision kinetics investigations over a range of atmospheric conditions; (2 detailed mechanism development, significantly enhanced according to its capability for measuring radicals; and (3 field instrument intercomparison, calibration, development, and investigations of instrument response at a range of atmospheric conditions.

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.

Atmospheric Radiation Measurement Program Plan

International Nuclear Information System (INIS)

1990-02-01

In order to understand energy's role in anthropogenic global climate change, significant reliance is being placed on General Circulation Models (GCMs). A major goal of the Department is to foster the development of GCMs capable of predicting the timing and magnitude of greenhouse gas-induced global warming and the regional effects of such warming. DOE research has revealed that cloud radiative feedback is the single most important effect determining the magnitude of possible climate responses to human activity. However, cloud radiative forcing and feedbacks are not understood at the levels needed for reliable climate prediction. The Atmospheric Radiation Measurement (ARM) Program will contribute to the DOE goal by improving the treatment of cloud radiative forcing and feedbacks in GCMs. Two issues will be addressed: the radiation budget and its spectral dependence and the radiative and other properties of clouds. Understanding cloud properties and how to predict them is critical because cloud properties may very well change as climate changes. The experimental objective of the ARM Program is to characterize empirically the radiative processes in the Earth's atmosphere with improved resolution and accuracy. A key to this characterization is the effective treatment of cloud formation and cloud properties in GCMs. Through this characterization of radiative properties, it will be possible to understand both the forcing and feedback effects. GCM modelers will then be able to better identify the best approaches to improved parameterizations of radiative transfer effects. This is expected to greatly improve the accuracy of long-term, GCM predictions and the efficacy of those predictions at the important regional scale, as the research community and DOE attempt to understand the effects of greenhouse gas emissions on the Earth's climate. 153 refs., 24 figs., 6 tabs

Science Plan for the Atmospheric Radiation Measurement Program (ARM)

International Nuclear Information System (INIS)

1996-02-01

The purpose of this Atmospheric Radiation Measurement (ARM) Science Plan is to articulate the scientific issues driving the ARM Program, and to relate them to DOE's programmatic objectives for ARM, based on the experience and scientific progress gained over the past five years. ARM programmatic objectives are to: (1) Relate observed radiative fluxes and radiances in the atmosphere, spectrally resolved and as a function of position and time, to the temperature and composition of the atmosphere, specifically including water vapor and clouds, and to surface properties, and sample sufficient variety of situations so as to span a wide range of climatologically relevant possibilities; (2) develop and test parameterizations that can be used to accurately predict the radiative properties and to model the radiative interactions involving water vapor and clouds within the atmosphere, with the objective of incorporating these parameterizations into general circulation models. The primary observational methods remote sending and other observations at the surface, particularly remote sensing of clouds, water vapor and aerosols

The Influence of CO2 Admixtures on the Product Composition in a Nitrogen-Methane Atmospheric Glow Discharge Used as a Prebiotic Atmosphere Mimic.

Science.gov (United States)

Mazankova, V; Torokova, L; Krcma, F; Mason, N J; Matejcik, S

2016-11-01

This work extends our previous experimental studies of the chemistry of Titan's atmosphere by atmospheric glow discharge. The Titan's atmosphere seems to be similarly to early Earth atmospheric composition. The exploration of Titan atmosphere was initiated by the exciting results of the Cassini-Huygens mission and obtained results increased the interest about prebiotic atmospheres. Present work is devoted to the role of CO 2 in the prebiotic atmosphere chemistry. Most of the laboratory studies of such atmosphere were focused on the chemistry of N 2  + CH 4 mixtures. The present work is devoted to the study of the oxygenated volatile species in prebiotic atmosphere, specifically CO 2 reactivity. CO 2 was introduced to the standard N 2  + CH 4 mixture at different mixing ratio up to 5 % CH 4 and 3 % CO 2 . The reaction products were characterized by FTIR spectroscopy. This work shows that CO 2 modifies the composition of the gas phase with the detection of oxygenated compounds: CO and others oxides. There is a strong influence of CO 2 on increasing concentration other products as cyanide (HCN) and ammonia (NH 3 ).

Islam - Science Integration Approach in Developing Chemistry Individualized Education Program (IEP for Students with Disabilities

Directory of Open Access Journals (Sweden)

Jamil Suprihatiningrum

2017-11-01

Full Text Available The paper is based on a research which tries to explore, explain and describe Islam - science integration approach to develop an Individualized Education Program (IEP for students with disabilities in chemistry lesson. As a qualitative case study, this paper is aimed at investigating how Islam - science integration approach can be underpinned for developing the IEP for Chemistry. Participants were recruited purposively and data were collected by interviews; documents’ analysis; and experts’ assessment (i.e. material experts, inclusive education experts, media experts, chemistry teachers and support teachers, then analyzed using content-analysis. The result shows Islam - science integration approach can be a foundation to develop the chemistry IEP by seeking support for the verses of the Qur'an and corresponding hadiths. Even although almost all the subject matter in chemistry can be integrated with Islamic values, this study only developed two contents, namely Periodic System of Elements and Reaction Rate.

Study of atmospheric emission trading programs in the United States

International Nuclear Information System (INIS)

1991-01-01

A detailed review and evaluation was conducted of federal and state atmospheric emission trading programs in the USA to identify the factors critical to a successful program. A preliminary assessment was also made of the feasibility of such a program for NOx and volatile organic compounds (VOC) in the lower Fraser Valley in British Columbia. To date, experience in the USA with atmospheric emissions trading has primarily involved trades of emission reduction credits pursuant to the 1977 Clean Air Act amendments. Most trades occur under netting provisions which allow expansion of an existing plant without triggering the stringent new-source review process. Six case studies of emissions trading are described from jurisdictions in California, New Jersey, and Kentucky and from the national SO 2 allowance trading program. Estimates of cost savings achieved by emissions trading are provided, and factors critical to a successful program are summarized. These factors include clearly defined goals, participation proportional to problem contribution, an emissions inventory of satisfactory quality, a comprehensive permit system, a credible enforcement threat, efficient and predictable administration, location of the program in an economic growth area, and support by those affected by the program. In the Fraser Valley, it is concluded that either an emissions reduction credit or an allowance trading system is feasible for both NOx and VOC, and recommendations are given for implementation of such a program based on the factors determined above. 1 fig., 8 tabs

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

International Nuclear Information System (INIS)

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

2011-01-01

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

Loch Vale Watershed Long-Term Ecological Research and Monitoring Program: Quality Assurance Report, 2003-09

Science.gov (United States)

Richer, Eric E.; Baron, Jill S.

2011-01-01

The Loch Vale watershed project is a long-term research and monitoring program located in Rocky Mountain National Park that addresses watershed-scale ecosystem processes, particularly as they respond to atmospheric deposition and climate variability. Measurements of precipitation depth, precipitation chemistry, discharge, and surface-water quality are made within the watershed and elsewhere in Rocky Mountain National Park. As data collected for the program are used by resource managers, scientists, policy makers, and students, it is important that all data collected in Loch Vale watershed meet high standards of quality. In this report, data quality was evaluated for precipitation, discharge, and surface-water chemistry measurements collected during 2003-09. Equipment upgrades were made at the Loch Vale National Atmospheric Deposition Program monitoring site to improve precipitation measurements and evaluate variability in precipitation depth and chemistry. Additional solar panels and batteries have been installed to improve the power supply, and data completeness, at the NADP site. As a result of equipment malfunction, discharge data for the Loch Outlet were estimated from October 18, 2005, to August 17, 2006. Quality-assurance results indicate that more than 98 percent of all surface-water chemistry measurements were accurate and precise. Records that did not meet quality criteria were removed from the database. Measurements of precipitation depth, precipitation chemistry, discharge, and surface-water quality were all sufficiently complete and consistent to support project data needs.

Chemistry in protoplanetary disks

Science.gov (United States)

Semenov, D. A.

2012-01-01

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

Final Report, Research Program to Investigate the Fundamental Chemistry of Technetium

International Nuclear Information System (INIS)

Lukens, Wayne W. Jr.; Fickes, Michael J.; Bucher, Jerome J.; Burns, Carol J.; Edelstein, Norman M.; Shuh, David K.

2000-01-01

The purpose is to increase the basic scientific understanding of technetium chemistry to better understand the behavior of technetium in chemical environments relevant to DOE. Two important areas in need of study are the behavior of technetium in highly alkaline solutions similar to high-level nuclear waste, and its behavior in different waste forms. This research program addressed these two needs. Two separate approaches were used in this program. The first focus was to understand the basic solution chemistry of technetium, which underlies its behavior in the highly alkaline environment of the nuclear waste tanks located at the Savannah River and Hanford Sites. The specific problems at these sites are related to the anomalous oxidation state of technetium (Schroeder 1995). Although, at high pH, technetium should exist in its highest oxidation state as TcO 4 - , soluble, lower-valent technetium species have been observed in certain wastes. The specific unknowns that this program sought to answer are the nature of lower valent technetium species that can be formed in highly alkaline solution and whether pertechnetate undergoes radiolytic reduction in highly alkaline solution when nitrate is present in excess. The second focus area is the behavior of technetium immobilized in various waste forms. The behavior of technetium in cement wastes was examined to gain information about its long-term stability. Specifically, this research examined the oxidation of reduced technetium species by components present in high-level waste that are incorporated into cement waste along with technetium

A three-dimensional model of the atmospheric chemistry of E and Z-CF3CH=CHCl (HCFO-1233(zd) (E/Z))

Science.gov (United States)

Sulbaek Andersen, Mads P.; Schmidt, Johan A.; Volkova, Aleksandra; Wuebbles, Donald J.

2018-04-01

Using a 3-dimensional global atmospheric chemistry and transport model we investigated the atmospheric degradation of HCFO-1233zd(E), E-CF3CH=CHCl, a commercially important, new hydrofluorocarbon replacement compound. Atmospheric degradation of E-CF3CH=CHCl is initiated by reaction with OH radicals, which leads to several chemical oxidation products. Dissemination of these oxidation products to the environment is of concern due to the possible formation of trifluoroacetic acid (TFA) as a degradation product. The model indicates that the average global yield of TFA from atmospheric processing of E-CF3CH=CHCl is approximately 2%. The annually averaged atmospheric lifetime of E-CF3CH=CHCl was found to be approximately 36 days (12 days for Z-CF3CH=CHCl). As E-CF3CH=CHCl is short lived, by far the majority of its Cl atoms will be released and deposited in the lower atmosphere, and the impact on stratospheric ozone is insignificant. An Ozone Depletion Potential of 0.00030 was determined. The Photochemical Ozone Creation Potential was evaluated and a value of 3.6 determined. Finally, we derive a Global Warming Potential for E-CF3CH=CHCl for a 100 year time horizon of model.

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

Science.gov (United States)

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

2017-04-01

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

Introducing Ethics to Chemistry Students in a "Research Experiences for Undergraduates" (REU) Program

Science.gov (United States)

Hanson, Mark J.

2015-01-01

A three-day ethics seminar introduced ethics to undergraduate environmental chemistry students in the Research Experiences for Undergraduates (REU) program. The seminar helped students become sensitive to and understand the ethical and values dimensions of their work as researchers. It utilized a variety of resources to supplement lectures and…

Interview with Warren Wiscombe on scientific programing and his contributions to atmospheric science tool making

OpenAIRE

Flatau, Piotr J.

2013-01-01

On March 11, 2013 I talked with Warren Wiscombe about his contributions to scientific computer programming, atmospheric science and radiative transfer. Our conversation is divided into three parts related to light scattering, radiative transfer and his general thoughts about scientific programming. There are some reflections on how radiative transfer parameterizations gradually sneaked in to modern climate and atmospheric Global Circulation Models. Why some software programs such as light sca...

Organic Chemistry in Action! What Is the Reaction?

Science.gov (United States)

O'Dwyer, Anne; Childs, Peter

2015-01-01

The "Organic Chemistry in Action!" ("OCIA!") program is a set of teaching resources designed to facilitate the teaching and learning of introductory level organic chemistry. The "OCIA!" program was developed in collaboration with practicing and experienced chemistry teachers, using findings from Chemistry Education…

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

Science.gov (United States)

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

2009-04-01

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

Dimethylsulfide chemistry: annual, seasonal, and spatial impacts on SO_4^(2-)

Science.gov (United States)

We incorporated oceanic emissions and atmospheric chemistry of dimethylsulfide (DMS) into the hemispheric Community Multiscale Air Quality model and performed annual model simulations without and with DMS chemistry. The model without DMS chemistry predicts higher concentrations o...

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

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

Science.gov (United States)

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

2017-12-01

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

Final Report, Research Program to Investigate the Fundamental Chemistry of Technetium

Energy Technology Data Exchange (ETDEWEB)

Lukens Jr., Wayne W.; Fickes, Michael J.; Bucher, Jerome J.; Burns, Carol J.; Edelstein, Norman M.; Shuh, David K.

2000-12-23

The purpose is to increase the basic scientific understanding of technetium chemistry to better understand the behavior of technetium in chemical environments relevant to DOE. Two important areas in need of study are the behavior of technetium in highly alkaline solutions similar to high-level nuclear waste, and its behavior in different waste forms. This research program addressed these two needs. Two separate approaches were used in this program. The first focus was to understand the basic solution chemistry of technetium, which underlies its behavior in the highly alkaline environment of the nuclear waste tanks located at the Savannah River and Hanford Sites. The specific problems at these sites are related to the anomalous oxidation state of technetium (Schroeder 1995). Although, at high pH, technetium should exist in its highest oxidation state as TcO{sub 4}{sup {minus}}, soluble, lower-valent technetium species have been observed in certain wastes. The specific unknowns that this program sought to answer are the nature of lower valent technetium species that can be formed in highly alkaline solution and whether pertechnetate undergoes radiolytic reduction in highly alkaline solution when nitrate is present in excess. The second focus area is the behavior of technetium immobilized in various waste forms. The behavior of technetium in cement wastes was examined to gain information about its long-term stability. Specifically, this research examined the oxidation of reduced technetium species by components present in high-level waste that are incorporated into cement waste along with technetium.

FAST TRACK COMMUNICATION: Contrasting characteristics of sub-microsecond pulsed atmospheric air and atmospheric pressure helium-oxygen glow discharges

Science.gov (United States)

Walsh, J. L.; Liu, D. X.; Iza, F.; Rong, M. Z.; Kong, M. G.

2010-01-01

Glow discharges in air are often considered to be the ultimate low-temperature atmospheric pressure plasmas for numerous chamber-free applications. This is due to the ubiquitous presence of air and the perceived abundance of reactive oxygen and nitrogen species in air plasmas. In this paper, sub-microsecond pulsed atmospheric air plasmas are shown to produce a low concentration of excited oxygen atoms but an abundance of excited nitrogen species, UV photons and ozone molecules. This contrasts sharply with the efficient production of excited oxygen atoms in comparable helium-oxygen discharges. Relevant reaction chemistry analysed with a global model suggests that collisional excitation of O2 by helium metastables is significantly more efficient than electron dissociative excitation of O2, electron excitation of O and ion-ion recombination. These results suggest different practical uses of the two oxygen-containing atmospheric discharges, with air plasmas being well suited for nitrogen and UV based chemistry and He-O2 plasmas for excited atomic oxygen based chemistry.

Research Program to Investigate the Fundamental Chemistry of Technetium

International Nuclear Information System (INIS)

Edelstein, Norman M.; Burns, Carol J.; Shuh, David D.; Lukens, Wayne

2000-01-01

Technetium (99Tc, half-life = 2.13x105 years, b-emitter) is one of the radionuclides of major concern for nuclear waste disposal. This concern is due to the long half-life of 99Tc, the ease with which pertechnetate, TcO4 -, migrates in the geosphere, and the corresponding regulatory considerations. The problem of mobility of pertechnetate in the environment is compounded by the fact that pertechnetate is the thermodynamically stable form of technetium in aerobic environments. These two factors present challenges for the safe, long term immobilization of technetium in waste forms. Because of the stability of pertechnetate, technetium has been assumed to exist as pertechnetate in the aqueous phase of nuclear waste tanks. However, recent studies indicate that a significant fraction of the technetium is in a different chemical form. This program addresses the fundamental solution chemistry of technetium in the waste tank environment, and in a second part, the stability of technetium in various waste forms. The chemistry of this element will be studied in aqueous solutions at high pH, with various added salts such as nitrate, nitrite, and organic complexants, and as a function of radiation dose, to determine whether radiolysis effects can reduce TcO4 -. A separate facet of this research is the search for chemical forms of technetium that may be thermodynamically and/or kinetically stable and may be incorporated in various waste forms for long term storage. This phase of the program will address the problem of the possible oxidation of lower valent technetium species in various waste form matrices and the subsequent leaching of the highly soluble TcO4 -

User's Guide to Handlens - A Computer Program that Calculates the Chemistry of Minerals in Mixtures

Science.gov (United States)

Eberl, D.D.

2008-01-01

HandLens is a computer program, written in Excel macro language, that calculates the chemistry of minerals in mineral mixtures (for example, in rocks, soils and sediments) for related samples from inputs of quantitative mineralogy and chemistry. For best results, the related samples should contain minerals having the same chemical compositions; that is, the samples should differ only in the proportions of minerals present. This manual describes how to use the program, discusses the theory behind its operation, and presents test results of the program's accuracy. Required input for HandLens includes quantitative mineralogical data, obtained, for example, by RockJock analysis of X-ray diffraction (XRD) patterns, and quantitative chemical data, obtained, for example, by X-ray florescence (XRF) analysis of the same samples. Other quantitative data, such as sample depth, temperature, surface area, also can be entered. The minerals present in the samples are selected from a list, and the program is started. The results of the calculation include: (1) a table of linear coefficients of determination (r2's) which relate pairs of input data (for example, Si versus quartz weight percents); (2) a utility for plotting all input data, either as pairs of variables, or as sums of up to eight variables; (3) a table that presents the calculated chemical formulae for minerals in the samples; (4) a table that lists the calculated concentrations of major, minor, and trace elements in the various minerals; and (5) a table that presents chemical formulae for the minerals that have been corrected for possible systematic errors in the mineralogical and/or chemical analyses. In addition, the program contains a method for testing the assumption of constant chemistry of the minerals within a sample set.

Colour chemistry in water

OpenAIRE

Cardona, Maria

2015-01-01

Atmospheric carbon dioxide (CO2) levels have increased dramatically in the last few decades. Famous for causing global warming, CO2 is also resulting in the acidification of seas and oceans. http://www.um.edu.mt/think/colour-chemistry-in-water/

Environmental Research Program. 1994 annual report

Energy Technology Data Exchange (ETDEWEB)

Brown, N.J.

1995-04-01

The objective of the Environmental Research Program is to enhance the understanding of, and mitigate the effects of pollutants on health, ecological systems, global and regional climate, and air quality. The program is multi-disciplinary and includes fundamental research and development in efficient and environmentally-benign combustion, pollutant abatement and destruction, and novel methods of detection and analysis of criteria and non-criteria pollutants. This diverse group conducts investigations in combustion, atmospheric and marine processes, flue-gas chemistry, and ecological systems.

NASA/MSFC FY91 Global Scale Atmospheric Processes Research Program Review

Science.gov (United States)

Leslie, Fred W. (Editor)

1991-01-01

The reports presented at the annual Marshall Research Review of Earth Science and Applications are compiled. The following subject areas are covered: understanding of atmospheric processes in a variety of spatial and temporal scales; measurements of geophysical parameters; measurements on a global scale from space; the Mission to Planet Earth Program (comprised of and Earth Observation System and the scientific strategy to analyze these data); and satellite data analysis and fundamental studies of atmospheric dynamics.

Clouds and Hazes in Exoplanet Atmospheres

OpenAIRE

Marley, Mark S.; Ackerman, Andrew S.; Cuzzi, Jeffrey N.; Kitzmann, Daniel

2013-01-01

Clouds and hazes are commonplace in the atmospheres of solar system planets and are likely ubiquitous in the atmospheres of extrasolar planets as well. Clouds affect every aspect of a planetary atmosphere, from the transport of radiation, to atmospheric chemistry, to dynamics and they influence - if not control - aspects such as surface temperature and habitability. In this review we aim to provide an introduction to the role and properties of clouds in exoplanetary atmospheres. We consider t...

Design of a new multi-phase experimental simulation chamber for atmospheric photosmog, aerosol and cloud chemistry research

Directory of Open Access Journals (Sweden)

J. Wang

2011-11-01

Full Text Available A new simulation chamber has been built at the Interuniversitary Laboratory of Atmospheric Systems (LISA. The CESAM chamber (French acronym for Experimental Multiphasic Atmospheric Simulation Chamber is designed to allow research in multiphase atmospheric (photo- chemistry which involves both gas phase and condensed phase processes including aerosol and cloud chemistry. CESAM has the potential to carry out variable temperature and pressure experiments under a very realistic artificial solar irradiation. It consists of a 4.2 m³ stainless steel vessel equipped with three high pressure xenon arc lamps which provides a controlled and steady environment. Initial characterization results, all carried out at 290–297 K under dry conditions, concerning lighting homogeneity, mixing efficiency, ozone lifetime, radical sources, NO_y wall reactivity, particle loss rates, background PM, aerosol formation and cloud generation are given. Photolysis frequencies of NO₂ and O₃ related to chamber radiation system were found equal to (4.2 × 10⁻³ s⁻¹ for J_NO2 and (1.4 × 10⁻⁵ s⁻¹ for J_O¹D which is comparable to the solar radiation in the boundary layer. An auxiliary mechanism describing NO_y wall reactions has been developed. Its inclusion in the Master Chemical Mechanism allowed us to adequately model the results of experiments on the photo-oxidation of propene-NO_x-Air mixtures. Aerosol yields for the α-pinene + O₃ system chosen as a reference were determined and found in good agreement with previous studies. Particle lifetime in the chamber ranges from 10 h to 4 days depending on particle size distribution which indicates that the chamber can provide high quality data on aerosol aging processes and their effects. Being evacuable, it is possible to generate in this new chamber

HIGH-TEMPERATURE PHOTOCHEMISTRY IN THE ATMOSPHERE OF HD 189733b

International Nuclear Information System (INIS)

Line, M. R.; Yung, Y. L.; Liang, M. C.

2010-01-01

Recent infrared spectroscopy of hot exoplanets is beginning to reveal their atmospheric composition. Deep within the planetary atmosphere, the composition is controlled by thermochemical equilibrium. Photochemistry becomes important higher in the atmosphere, at levels above ∼1 bar. These two chemistries compete between ∼1 and 10 bars in hot-Jupiter-like atmospheres, depending on the strength of the eddy mixing and temperature. HD 189733b provides an excellent laboratory in which to study the consequences of chemistry of hot atmospheres. The recent spectra of HD 189733b contain signatures of CH 4 , CO 2 , CO, and H 2 O. Here we identify the primary chemical pathways that govern the abundances of CH 4 , CO 2 , CO, and H 2 O in the cases of thermochemical equilibrium chemistry, photochemistry, and their combination. Our results suggest that the disequilibrium mechanisms can significantly enhance the abundances of these species above their thermochemical equilibrium value, so some caution must be taken when assuming that an atmosphere is in strict thermochemical equilibrium.

Exoplanetary Atmospheres—Chemistry, Formation Conditions, and Habitability

Science.gov (United States)

Agúndez, Marcelino; Moses, Julianne I; Hu, Yongyun

2016-01-01

Characterizing the atmospheres of extrasolar planets is the new frontier in exoplanetary science. The last two decades of exoplanet discoveries have revealed that exoplanets are very common and extremely diverse in their orbital and bulk properties. We now enter a new era as we begin to investigate the chemical diversity of exoplanets, their atmospheric and interior processes, and their formation conditions. Recent developments in the field have led to unprecedented advancements in our understanding of atmospheric chemistry of exoplanets and the implications for their formation conditions. We review these developments in the present work. We review in detail the theory of atmospheric chemistry in all classes of exoplanets discovered to date, from highly irradiated gas giants, ice giants, and super-Earths, to directly imaged giant planets at large orbital separations. We then review the observational detections of chemical species in exoplanetary atmospheres of these various types using different methods, including transit spectroscopy, Doppler spectroscopy, and direct imaging. In addition to chemical detections, we discuss the advances in determining chemical abundances in these atmospheres and how such abundances are being used to constrain exoplanetary formation conditions and migration mechanisms. Finally, we review recent theoretical work on the atmospheres of habitable exoplanets, followed by a discussion of future outlook of the field. PMID:28057962

Promoting Chemistry Learning through Undergraduate Work Experience in the Chemistry Lab: A Practical Approach

Science.gov (United States)

Yu, Hong-Bin

2015-01-01

Hiring undergraduate lab assistants in chemistry departments is common in college. However, few studies have focused on promoting undergraduate chemistry learning and thinking skills through this work experience in chemistry teaching laboratories. This article discusses the strategy we implemented in the lab assistant program. The…

Research and Teaching: Computational Methods in General Chemistry--Perceptions of Programming, Prior Experience, and Student Outcomes

Science.gov (United States)

Wheeler, Lindsay B.; Chiu, Jennie L.; Grisham, Charles M.

2016-01-01

This article explores how integrating computational tools into a general chemistry laboratory course can influence student perceptions of programming and investigates relationships among student perceptions, prior experience, and student outcomes.

ACS experiment for atmospheric studies on "ExoMars-2016" Orbiter

Science.gov (United States)

Korablev, O. I.; Montmessin, F.; Fedorova, A. A.; Ignatiev, N. I.; Shakun, A. V.; Trokhimovskiy, A. V.; Grigoriev, A. V.; Anufreichik, K. A.; Kozlova, T. O.

2015-12-01

ACS is a set of spectrometers for atmospheric studies (Atmospheric Chemistry Suite). It is one of the Russian instruments for the Trace Gas Orbiter (TGO) of the Russian-European "ExoMars" program. The purpose of the experiment is to study the Martian atmosphere by means of two observations regimes: sensitive trace gases measurements in solar occultations and by monitoring the atmospheric state during nadir observations. The experiment will allow us to approach global problems of Mars research such as current volcanism, and the modern climate status and its evolution. Also, the experiment is intended to solve the mystery of methane presence in the Martian atmosphere. Spectrometers of the ACS set cover the spectral range from the near IR-range (0.7 μm) to the thermal IR-range (17 μm) with spectral resolution λ/Δλ reaching 50000. The ACS instrument consists of three independent IR spectrometers and an electronics module, all integrated in a single unit with common mechanical, electrical and thermal interfaces. The article gives an overview of scientific tasks and presents the concept of the experiment.

Revising the ACS Guidelines for Chemistry Programs in Two-Year Colleges: Shaping the Next Edition

Science.gov (United States)

Clevenger, John V.; Wesemann, Jodi L.

2008-06-01

Much has changed since the second edition of the ACS Guidelines for Chemistry Programs in Two-Year Colleges was prepared in 1997. The roles that two-year college programs can and do play in providing access to and success in higher education are receiving more attention. Increased knowledge on how people learn, advances in technology, and demands for accountability are changing the educational landscape.

Atmospheric chemistry of peroxynitrates

International Nuclear Information System (INIS)

Hendry, D.G.; Kenley, R.A.

1979-01-01

The thermochemistry and kinetics of the various types of peroxy nitrates are discussed, and the influence of these compounds on smog formation is evaluated. The heats of formation and of two dissociation reactions for various peroxyalkyl nitrates are calculated and it is shown that dissociation into nitrogen dioxide is more favorable than into nitrogen trioxide for the peroxyalkyl and peroxyacetyl nitrates (PANs). The atmospheric lifetimes of peroxynitric acid, peroxyalkyl nitrates and peroxyacyl nitrates are estimated as a function of temperature and it is found that PANs can exhibit lifetimes greater than a day at low temperatures, resulting in significant concentrations. In the presence of NO, PANs are shown to be an important source of OH radicals in the early morning and at night. A computer simulation reveals the contribution of PANs to ozone formation by the oxidation of NO to NO2

Atmospheric chemistry of polycyclic aromatic compounds with special emphasis on nitro derivatives

Energy Technology Data Exchange (ETDEWEB)

Feilberg, A.

2000-04-01

Field measurements of polycyclic aromatic compounds (PAC) have been carried out at a semi-rural site and at an urban site. Correlation analyses, PAC indicators, and PAC ratios have been used to evaluate the importance of various sources of nitro-PAHs. A major source of nitro-PAHs is atmospheric transformation of PAHs initiated by OH radicals. Especially during long-range transport (LRT) of air pollution from Central Europe, the nitro-PAH composition in Denmark is dominated by nitro-PAHs formed in the atmosphere. Locally emitted nitro-PAHs are primarily from diesel vehicles. Levels of unsubstituted PAHs can also be strongly elevated in connection with LRT episodes. The ratio of 2-nitrofluoranthene relative to 1-nitropyrene is proposed as a measure of the relative photochemical age of particulate matter. Using this ratio, the relative mutagenicity of particle extracts appears to increase with increasing photochemical age. In connection with the field measurements, a method for measuring nitro-PAHs in particle extracts based on MS-MS detection has been developed. The atmospheric chemistry of nitronaphthalenes has been investigated with a smog chamber system combined with simulation with photochemical kinetics software. A methodology to implement gas-particle partitioning in a model based on chemical kinetics is described. Equilibrium constants (KP) for gas-particle partitioning of 1- and 2-nitronaphthalene have been determined. Mass transfer between the two phases appears to occur on a very short timescale. The gas phase photolysis of the nitronaphthalenes depends upon the molecular conformation. Significantly faster photolysis of 1-nitronaphthalene than of 2-nitronaphthalene is observed. The photochemistry of nitro-PAHs, and to some extent other PAC, associated with organic aerosols, has been studied with model systems simulating organic aerosol material. A number of aerosol constituents, including substituted phenols, benzaldehydes, and oxy-PAHs, are demonstrated to

Environmental assessment for the satellite power system concept development and evaluation program: atmospheric effects

International Nuclear Information System (INIS)

Rote, D.M.; Brubaker, K.L.; Lee, J.L.

1980-11-01

The US Department of Energy (DOE) has undertaken a preliminary, three-year program to investigate the impacts of the construction and operation of a satellite power system, of unprecedented scale. The Department of Energy's program, titled The Concept Development and Evaluation Program, focused its investigations on a Reference System description that calls for the use of either silicon (Si) or gallium aluminum-arsenide (GaAlAs) photovoltaic cells on 60 satellites to be constructed in GEO over a 30-yr period. Rectennas would be constructed on the ground to receive microwave energy from the satellites. Each satellite-rectenna pair is designed to produce 5 GW of power on an essentially continuous basis for use as a baseload power source for an electric power distribution system. The environmental assessment part of the program was divided into five interdependent task areas. The present document constitutes the final technical report on one of the five task areas, the Assessment of the Atmospheric Effects, and as such presents an in-depth summary of work performed during the assessment program. The issues associated with SPS activities in the troposphere are examined. These include tropospheric weather modification related to rectenna operations and rocket launches, and air quality impacts related to rocketlaunch ground clouds. Then progressing upward through the various levels of the atmosphere, the principal middle and upper atmospheric effects associated with rocket effluents are analyzed. Finally, all of the potential SPS atmospheric effects are summarized

Fine-Structure Measurements of Oxygen A Band Absorbance for Estimating the Thermodynamic Average Temperature of the Earth's Atmosphere: An Experiment in Physical and Environmental Chemistry

Science.gov (United States)

Myrick, M. L.; Greer, A. E.; Nieuwland, A.; Priore, R. J.; Scaffidi, J.; Andreatta, Daniele; Colavita, Paula

2006-01-01

The experiment describe the measures of the A band transitions of atmospheric oxygen, a rich series of rotation-electronic absorption lines falling in the deep red portion of the optical spectrum and clearly visible owing to attenuation of solar radiation. It combines pure physical chemistry with analytical and environmental science and provides a…

Mass Spectrometry of Single Particles Levitated in an Electrodynamic Balance: Applications to Laboratory Atmospheric Chemistry Research

Science.gov (United States)

Birdsall, A.; Krieger, U. K.; Keutsch, F. N.

2017-12-01

Dynamic changes to atmospheric aerosol particle composition (e.g., originating from evaporation/condensation, oxidative aging, or aqueous-phase chemical reactions) impact particle properties with importance for understanding particle effects on climate and human health. These changes can take place over the entire lifetime of an atmospheric particle, which can extend over multiple days. Previous laboratory studies of such processes have included analyzing single particles suspended in a levitation device, such as an electrodynamic balance (EDB), an optical levitator, or an acoustic trap, using optical detection techniques. However, studying chemically complex systems can require an analytical method, such as mass spectrometry, that provides more molecular specificity. Existing work coupling particle levitation with mass spectrometry is more limited and largely has consisted of acoustic levitation of millimeter-sized droplets.In this work an EDB has been coupled with a custom-built ionization source and commercial time-of-flight mass spectrometer (MS) as a platform for laboratory atmospheric chemistry research. Single charged particles (radius 10 μm) have been injected into an EDB, levitated for an arbitrarily long period of time, and then transferred to a vaporization-corona discharge ionization region for MS analysis. By analyzing a series of particles of identical composition, residing in the controlled environment of the EDB for varying times, we can trace the chemical evolution of a particle over hours or days, appropriate timescales for understanding transformations of atmospheric particles.To prove the concept of our EDB-MS system, we have studied the evaporation of particles consisting of polyethylene glycol (PEG) molecules of mixed chain lengths, used as a benchmark system. Our system can quantify the composition of single particles (see Figure for sample spectrum of a single PEG-200 particle: PEG parent ions labeled with m/z, known PEG fragment ions

Ground-based Observations and Atmospheric Modelling of Energetic Electron Precipitation Effects on Antarctic Mesospheric Chemistry

Science.gov (United States)

Newnham, D.; Clilverd, M. A.; Horne, R. B.; Rodger, C. J.; Seppälä, A.; Verronen, P. T.; Andersson, M. E.; Marsh, D. R.; Hendrickx, K.; Megner, L. S.; Kovacs, T.; Feng, W.; Plane, J. M. C.

2016-12-01

The effect of energetic electron precipitation (EEP) on the seasonal and diurnal abundances of nitric oxide (NO) and ozone in the Antarctic middle atmosphere during March 2013 to July 2014 is investigated. Geomagnetic storm activity during this period, close to solar maximum, was driven primarily by impulsive coronal mass ejections. Near-continuous ground-based atmospheric measurements have been made by a passive millimetre-wave radiometer deployed at Halley station (75°37'S, 26°14'W, L = 4.6), Antarctica. This location is directly under the region of radiation-belt EEP, at the extremity of magnetospheric substorm-driven EEP, and deep within the polar vortex during Austral winter. Superposed epoch analyses of the ground based data, together with NO observations made by the Solar Occultation For Ice Experiment (SOFIE) onboard the Aeronomy of Ice in the Mesosphere (AIM) satellite, show enhanced mesospheric NO following moderate geomagnetic storms (Dst ≤ -50 nT). Measurements by co-located 30 MHz riometers indicate simultaneous increases in ionisation at 75-90 km directly above Halley when Kp index ≥ 4. Direct NO production by EEP in the upper mesosphere, versus downward transport of NO from the lower thermosphere, is evaluated using a new version of the Whole Atmosphere Community Climate Model incorporating the full Sodankylä Ion Neutral Chemistry Model (WACCM SIC). Model ionization rates are derived from the Polar orbiting Operational Environmental Satellites (POES) second generation Space Environment Monitor (SEM 2) Medium Energy Proton and Electron Detector instrument (MEPED). The model data are compared with observations to quantify the impact of EEP on stratospheric and mesospheric odd nitrogen (NOx), odd hydrogen (HOx), and ozone.

Correlation of preadmission organic chemistry courses and academic performance in biochemistry at a midwest chiropractic doctoral program.

Science.gov (United States)

McRae, Marc P

2010-01-01

Organic chemistry has been shown to correlate with academic success in the preclinical years of medicine, dentistry, and graduate physiology. The purpose of this study is to examine the relationship between undergraduate organic chemistry grades and first-semester biochemistry grades at a Midwest chiropractic doctoral program. Students enrolled in a first-semester biochemistry course who had completed the prerequisite courses in organic chemistry offered at this same institution were entered into the study. The total grade for each of the three courses was calculated using the midterm and final exam raw scores with a weighting of 50% each. Analysis consisted of obtaining correlation coefficients between the total grades of organic 1 with biochemistry and organic 2 with biochemistry. Using the biochemistry total grade, the students were divided into quartiles and course grades for both organic chemistry 1 and 2 were calculated. For the 109 students in the study, the correlation coefficient between the biochemistry and organic chemistry 1 and biochemistry and organic chemistry 2 courses was r = 0.744 and r = 0.725, respectively. The difference in organic chemistry grades between those in the first and fourth quartiles was 63.2% and 86.9% for organic chemistry 1 (p organic chemistry 2 (p organic chemistry can be used as an indicator of future academic success in a chiropractic biochemistry course. Knowledge of such a relationship could prove useful to identify students who may potentially run into academic difficulty with first-year biochemistry.

D-region ion-neutral coupled chemistry (Sodankylä Ion Chemistry, SIC) within the Whole Atmosphere Community Climate Model (WACCM 4) - WACCM-SIC and WACCM-rSIC

Science.gov (United States)

Kovács, Tamás; Plane, John M. C.; Feng, Wuhu; Nagy, Tibor; Chipperfield, Martyn P.; Verronen, Pekka T.; Andersson, Monika E.; Newnham, David A.; Clilverd, Mark A.; Marsh, Daniel R.

2016-09-01

This study presents a new ion-neutral chemical model coupled into the Whole Atmosphere Community Climate Model (WACCM). The ionospheric D-region (altitudes ˜ 50-90 km) chemistry is based on the Sodankylä Ion Chemistry (SIC) model, a one-dimensional model containing 307 ion-neutral and ion recombination, 16 photodissociation and 7 photoionization reactions of neutral species, positive and negative ions, and electrons. The SIC mechanism was reduced using the simulation error minimization connectivity method (SEM-CM) to produce a reaction scheme of 181 ion-molecule reactions of 181 ion-molecule reactions of 27 positive and 18 negative ions. This scheme describes the concentration profiles at altitudes between 20 km and 120 km of a set of major neutral species (HNO3, O3, H2O2, NO, NO2, HO2, OH, N2O5) and ions (O2+, O4+, NO+, NO+(H2O), O2+(H2O), H+(H2O), H+(H2O)2, H+(H2O)3, H+(H2O)4, O3-, NO2-, O-, O2, OH-, O2-(H2O), O2-(H2O)2, O4-, CO3-, CO3-(H2O), CO4-, HCO3-, NO2-, NO3-, NO3-(H2O), NO3-(H2O)2, NO3-(HNO3), NO3-(HNO3)2, Cl-, ClO-), which agree with the full SIC mechanism within a 5 % tolerance. Four 3-D model simulations were then performed, using the impact of the January 2005 solar proton event (SPE) on D-region HOx and NOx chemistry as a test case of four different model versions: the standard WACCM (no negative ions and a very limited set of positive ions); WACCM-SIC (standard WACCM with the full SIC chemistry of positive and negative ions); WACCM-D (standard WACCM with a heuristic reduction of the SIC chemistry, recently used to examine HNO3 formation following an SPE); and WACCM-rSIC (standard WACCM with a reduction of SIC chemistry using the SEM-CM method). The standard WACCM misses the HNO3 enhancement during the SPE, while the full and reduced model versions predict significant NOx, HOx and HNO3 enhancements in the mesosphere during solar proton events. The SEM-CM reduction also identifies the important ion-molecule reactions that affect the partitioning of

Systematic Changes in the Undergraduate Chemistry Curriculum Progam Award and Course and Curriculum Development Program Awards

Science.gov (United States)

1996-06-01

Eight awards in chemistry curriculum development for FY1996 have been announced. One award, to a consortium centered at the University of California-Los Angeles, represents the fifth award in the Systemic Changes in the Undergraduate Chemistry Curriculum program. Although no proposals will be accepted in this program for either planning or full grants for FY1997, it is anticipated that proposals will be accepted in June of 1997 for projects that would adapt and adopt materials developed by the five funded consortia: Molecular Science centered at the University of California-Los Angeles; ChemLinks centered at Beloit College; MolecularChem Consortium centered at the University of California-Berkeley; Workshop Chemistry centered at CUNY City College; and New Traditions centered at the University of Wisconsin-Madison. Seven awards have been made in the Course and Curriculum Development program. This ongoing program continues to accept proposals in chemistry as usual. Systemic Changes in the Undergraduate Chemistry Curriculum Program Award. Molecular Science. Orville L. Chapman University of California-Los Angeles DUE 9555605 FY96 725,000 FY97 575,000, FY98 575,000 FY99 275,000, FY00 275,000 The UCLA-CSUF-Community College Alliance (24 area community colleges that have worked together for more than 15 years) proposes a sweeping restructuring of the lower division chemistry curriculum and the auxiliary learning and assessment processes. In forming our new curriculum, we reject the positivist approach to science education in favor of a constructivist approach that emphasizes problem solving and exploratory learning. We make this change in order to focus on the developing key skills, traits, and abilities of our students. Our new curriculum, the Molecular Science Curriculum, cuts across departments and disciplines to embrace all activities that involve the study of atoms and molecules. In particular, environmental science, materials science, and molecular life science have

Hydrogen water chemistry for BWRs: A status report on the EPRI development program

International Nuclear Information System (INIS)

Jones, R.L.; Nelson, J.L.

1990-01-01

Many BWRs have experienced extensive intergranular stress corrosion cracking (IGSCC) in their austenitic stainless steel coolant system piping, resulting in serious adverse impacts on plant capacity factors, O and M costs, and personnel radiation exposures. A major research program to provide remedies for BWR pipe cracking was co-funded by EPRI, GE, and the BWR Owners Group for IGSCC Research between 1979 and 1988. Results from this program show that the likelihood of IGSCC depends on reactor water chemistry (particularly on the concentrations of ionic impurities and oxidizing radiolysis products) as well as on material condition and the level of tensile stress. Tests have demonstrated that the concentration of oxidizing radiolysis products in the recirculating water of a BWR can be reduced substantially by injecting hydrogen into the feedwater. Recent plant data show that the use of hydrogen injection can reduce the rate of IGSCC to insignificant levels if the concentration of ionic impurities in the reactor water is kept sufficiently low. This approach to the control of BWR pipe cracking is called hydrogen water chemistry (HWC). This paper presents a review of the results of EPRI's HWC development program from 1980 to the present. In addition, plans for additional work to investigate the feasibility of adapting HWC to protect the BWR vessel and major internal components from potential stress corrosion cracking problems are summarized. (orig.)

A user-orientated approach to provenance capture and representation for in silico experiments, explored within the atmospheric chemistry community.

Science.gov (United States)

Martin, Chris J; Haji, Mohammed H; Jimack, Peter K; Pilling, Michael J; Dew, Peter M

2009-07-13

We present a novel user-orientated approach to provenance capture and representation for in silico experiments, contrasted against the more systems-orientated approaches that have been typical within the e-Science domain. In our approach, we seek to capture the scientist's reasoning in the form of annotations as an experiment evolves, while using the scientist's terminology in the representation of process provenance. Our user-orientated approach is applied in a case study within the atmospheric chemistry domain: we consider the design, development and evaluation of an electronic laboratory notebook, a provenance capture and storage tool, for iterative model development.

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.

External quality-assurance project report for the National Atmospheric Deposition Program/National Trends Network and Mercury Deposition Network, 2009-2010

Science.gov (United States)

Wetherbee, Gregory A.; Martin, RoseAnn; Rhodes, Mark F.; Chesney, Tanya A.

2014-01-01

The U.S. Geological Survey operated six distinct programs to provide external quality-assurance monitoring for the National Atmospheric Deposition Program/National Trends Network (NTN) and Mercury Deposition Network (MDN) during 2009–2010. The field-audit program assessed the effects of onsite exposure, sample handling, and shipping on the chemistry of NTN samples; a system-blank program assessed the same effects for MDN. Two interlaboratory-comparison programs assessed the bias and variability of the chemical analysis data from the Central Analytical Laboratory (CAL) and Mercury (Hg) Analytical Laboratory (HAL). The blind-audit program was also implemented for the MDN to evaluate analytical bias in total Hg concentration data produced by the HAL. The co-located-sampler program was used to identify and quantify potential shifts in NADP data resulting from replacement of original network instrumentation with new electronic recording rain gages (E-gages) and precipitation collectors that use optical sensors. The results indicate that NADP data continue to be of sufficient quality for the analysis of spatial distributions and time trends of chemical constituents in wet deposition across the United States. Results also suggest that retrofit of the NADP networks with the new precipitation collectors could cause –8 to +14 percent shifts in NADP annual precipitation-weighted mean concentrations and total deposition values for ammonium, nitrate, sulfate, and hydrogen ion, and larger shifts (+13 to +74 percent) for calcium, magnesium, sodium, potassium, and chloride. The prototype N-CON Systems bucket collector is more efficient in the catch of precipitation in winter than Aerochem Metrics Model 301 collector, especially for light snowfall.

Comparison of the HadGEM2 climate-chemistry model against in situ and SCIAMACHY atmospheric methane data

Directory of Open Access Journals (Sweden)

G. D. Hayman

2014-12-01

Full Text Available Wetlands are a major emission source of methane (CH4 globally. In this study, we evaluate wetland emission estimates derived using the UK community land surface model (JULES, the Joint UK Land Earth Simulator against atmospheric observations of methane, including, for the first time, total methane columns derived from the SCIAMACHY instrument on board the ENVISAT satellite. Two JULES wetland emission estimates are investigated: (a from an offline run driven with Climatic Research Unit–National Centers for Environmental Prediction (CRU-NCEP meteorological data and (b from the same offline run in which the modelled wetland fractions are replaced with those derived from the Global Inundation Extent from Multi-Satellites (GIEMS remote sensing product. The mean annual emission assumed for each inventory (181 Tg CH4 per annum over the period 1999–2007 is in line with other recently published estimates. There are regional differences as the unconstrained JULES inventory gives significantly higher emissions in the Amazon (by ~36 Tg CH4 yr−1 and lower emissions in other regions (by up to 10 Tg CH4 yr−1 compared to the JULES estimates constrained with the GIEMS product. Using the UK Hadley Centre's Earth System model with atmospheric chemistry (HadGEM2, we evaluate these JULES wetland emissions against atmospheric observations of methane. We obtain improved agreement with the surface concentration measurements, especially at high northern latitudes, compared to previous HadGEM2 runs using the wetland emission data set of Fung et al. (1991. Although the modelled monthly atmospheric methane columns reproduce the large-scale patterns in the SCIAMACHY observations, they are biased low by 50 part per billion by volume (ppb. Replacing the HadGEM2 modelled concentrations above 300 hPa with HALOE–ACE assimilated TOMCAT output results in a significantly better agreement with the SCIAMACHY observations. The use of the GIEMS product to constrain the JULES

Organic chemistry on Titan

Science.gov (United States)

Chang, S.; Scattergood, T.; Aronowitz, S.; Flores, J.

1979-01-01

Features taken from various models of Titan's atmosphere are combined in a working composite model that provides environmental constraints within which different pathways for organic chemical synthesis are determined. Experimental results and theoretical modeling suggest that the organic chemistry of the satellite is dominated by two processes: photochemistry and energetic particle bombardment. Photochemical reactions of CH4 in the upper atmosphere can account for the presence of C2 hydrocarbons. Reactions initiated at various levels of the atmosphere by cosmic rays, Saturn 'wind', and solar wind particle bombardment of a CH4-N2 atmospheric mixture can account for the UV-visible absorbing stratospheric haze, the reddish appearance of the satellite, and some of the C2 hydrocarbons. In the lower atmosphere photochemical processes will be important if surface temperatures are sufficiently high for gaseous NH3 to exist. It is concluded that the surface of Titan may contain ancient or recent organic matter (or both) produced in the atmosphere.

Analytical chemistry in space

CERN Document Server

Wainerdi, Richard E

1970-01-01

Analytical Chemistry in Space presents an analysis of the chemical constitution of space, particularly the particles in the solar wind, of the planetary atmospheres, and the surfaces of the moon and planets. Topics range from space engineering considerations to solar system atmospheres and recovered extraterrestrial materials. Mass spectroscopy in space exploration is also discussed, along with lunar and planetary surface analysis using neutron inelastic scattering. This book is comprised of seven chapters and opens with a discussion on the possibilities for exploration of the solar system by

Environmental research program. 1995 Annual report

Energy Technology Data Exchange (ETDEWEB)

Brown, N.J.

1996-06-01

The objective of the Environmental Research Program is to enhance the understanding of, and mitigate the effects of pollutants on health, ecological systems, global and regional climate, and air quality. The program is multidisciplinary and includes fundamental research and development in efficient and environmentally benign combustion, pollutant abatement and destruction, and novel methods of detection and analysis of criteria and noncriteria pollutants. This diverse group conducts investigations in combustion, atmospheric and marine processes, flue-gas chemistry, and ecological systems. Combustion chemistry research emphasizes modeling at microscopic and macroscopic scales. At the microscopic scale, functional sensitivity analysis is used to explore the nature of the potential-to-dynamics relationships for reacting systems. Rate coefficients are estimated using quantum dynamics and path integral approaches. At the macroscopic level, combustion processes are modelled using chemical mechanisms at the appropriate level of detail dictated by the requirements of predicting particular aspects of combustion behavior. Parallel computing has facilitated the efforts to use detailed chemistry in models of turbulent reacting flow to predict minor species concentrations.

A steady-state continuous flow chamber for the study of daytime and nighttime chemistry under atmospherically relevant NO levels

Science.gov (United States)

Zhang, Xuan; Ortega, John; Huang, Yuanlong; Shertz, Stephen; Tyndall, Geoffrey S.; Orlando, John J.

2018-05-01

Experiments performed in laboratory chambers have contributed significantly to the understanding of the fundamental kinetics and mechanisms of the chemical reactions occurring in the atmosphere. Two chemical regimes, classified as high-NO vs. zero-NO conditions, have been extensively studied in previous chamber experiments. Results derived from these two chemical scenarios are widely parameterized in chemical transport models to represent key atmospheric processes in urban and pristine environments. As the anthropogenic NOx emissions in the United States have decreased remarkably in the past few decades, the classic high-NO and zero-NO conditions are no longer applicable to many regions that are constantly impacted by both polluted and background air masses. We present here the development and characterization of the NCAR Atmospheric Simulation Chamber, which is operated in steady-state continuous flow mode for the study of atmospheric chemistry under intermediate NO conditions. This particular chemical regime is characterized by constant sub-ppb levels of NO and can be created in the chamber by precise control of the inflow NO concentration and the ratio of chamber mixing to residence timescales. Over the range of conditions achievable in the chamber, the lifetime of peroxy radicals (RO2), a key intermediate from the atmospheric degradation of volatile organic compounds (VOCs), can be extended to several minutes, and a diverse array of reaction pathways, including unimolecular pathways and bimolecular reactions with NO and HO2, can thus be explored. Characterization experiments under photolytic and dark conditions were performed and, in conjunction with model predictions, provide a basis for interpretation of prevailing atmospheric processes in environments with intertwined biogenic and anthropogenic activities. We demonstrate the proof of concept of the steady-state continuous flow chamber operation through measurements of major first-generation products

A steady-state continuous flow chamber for the study of daytime and nighttime chemistry under atmospherically relevant NO levels

Directory of Open Access Journals (Sweden)

X. Zhang

2018-05-01

Full Text Available Experiments performed in laboratory chambers have contributed significantly to the understanding of the fundamental kinetics and mechanisms of the chemical reactions occurring in the atmosphere. Two chemical regimes, classified as high-NO vs. zero-NO conditions, have been extensively studied in previous chamber experiments. Results derived from these two chemical scenarios are widely parameterized in chemical transport models to represent key atmospheric processes in urban and pristine environments. As the anthropogenic NOx emissions in the United States have decreased remarkably in the past few decades, the classic high-NO and zero-NO conditions are no longer applicable to many regions that are constantly impacted by both polluted and background air masses. We present here the development and characterization of the NCAR Atmospheric Simulation Chamber, which is operated in steady-state continuous flow mode for the study of atmospheric chemistry under intermediate NO conditions. This particular chemical regime is characterized by constant sub-ppb levels of NO and can be created in the chamber by precise control of the inflow NO concentration and the ratio of chamber mixing to residence timescales. Over the range of conditions achievable in the chamber, the lifetime of peroxy radicals (RO2, a key intermediate from the atmospheric degradation of volatile organic compounds (VOCs, can be extended to several minutes, and a diverse array of reaction pathways, including unimolecular pathways and bimolecular reactions with NO and HO2, can thus be explored. Characterization experiments under photolytic and dark conditions were performed and, in conjunction with model predictions, provide a basis for interpretation of prevailing atmospheric processes in environments with intertwined biogenic and anthropogenic activities. We demonstrate the proof of concept of the steady-state continuous flow chamber operation through measurements of major first

Correlation of Preadmission Organic Chemistry Courses and Academic Performance in Biochemistry at a Midwest Chiropractic Doctoral Program*

Science.gov (United States)

McRae, Marc P.

2010-01-01

Purpose: Organic chemistry has been shown to correlate with academic success in the preclinical years of medicine, dentistry, and graduate physiology. The purpose of this study is to examine the relationship between undergraduate organic chemistry grades and first-semester biochemistry grades at a Midwest chiropractic doctoral program. Methods: Students enrolled in a first-semester biochemistry course who had completed the prerequisite courses in organic chemistry offered at this same institution were entered into the study. The total grade for each of the three courses was calculated using the midterm and final exam raw scores with a weighting of 50% each. Analysis consisted of obtaining correlation coefficients between the total grades of organic 1 with biochemistry and organic 2 with biochemistry. Using the biochemistry total grade, the students were divided into quartiles and course grades for both organic chemistry 1 and 2 were calculated. Results: For the 109 students in the study, the correlation coefficient between the biochemistry and organic chemistry 1 and biochemistry and organic chemistry 2 courses was r = 0.744 and r = 0.725, respectively. The difference in organic chemistry grades between those in the first and fourth quartiles was 63.2% and 86.9% for organic chemistry 1 (p organic chemistry 2 (p organic chemistry can be used as an indicator of future academic success in a chiropractic biochemistry course. Knowledge of such a relationship could prove useful to identify students who may potentially run into academic difficulty with first-year biochemistry PMID:20480012

A report on intercomparison studies of computer programs which respectively model: i) radionuclide migration ii) equilibrium chemistry of groundwater

International Nuclear Information System (INIS)

Broyd, T.W.; McD Grant, M.; Cross, J.E.

1985-01-01

This report describes two intercomparison studies of computer programs which respectively model: i) radionuclide migration ii) equilibrium chemistry of groundwaters. These studies have been performed by running a series of test cases with each program and comparing the various results obtained. The work forms a part of the CEC MIRAGE project (MIgration of RAdionuclides in the GEosphere) and has been jointly funded by the CEC and the United Kingdom Department of the Environment. Presentations of the material contained herein were given at plenary meetings of the MIRAGE project in Brussels in March, 1984 (migration) and March, 1985 (equilibrium chemistry) respectively

Study of atmospheric emission trading programs in the United States. Final report

International Nuclear Information System (INIS)

1991-01-01

A detailed review and evaluation was conducted of federal and state atmospheric emission trading programs in the USA to identify the factors critical to a successful program. A preliminary assessment was also made of the feasibility of such a program for NOx and volatile organic compounds (VOC) in the lower Fraser Valley in British Columbia. To date, experience in the USA with atmospheric emissions trading has primarily involved trades of emission reduction credits pursuant to the 1977 Clean Air Act amendments. Most trades occur under netting provisions which allow expansion of an existing plant without triggering the stringent new-source review process. Six case studies of emissions trading are described from jurisdictions in California, New Jersey, and Kentucky and from the national SO 2 allowance trading program. Estimates of cost savings achieved by emissions trading are provided, and factors critical to a successful program are summarized. These factors include clearly defined goals, participation proportional to problem contribution, an emissions inventory of satisfactory quality, a comprehensive permit system, a credible enforcement threat, efficient and predictable administration, location of the program in an economic growth area, and support by those affected by the program. In the Fraser Valley, it is concluded that either an emissions reduction credit or an allowance trading system is feasible for both NOx and VOC, and recommendations are given for implementation of such a program based on the factors determined above. 1 fig., 8 tabs

Electron-induced chemistry in microhydrated sulfuric acid clusters

Czech Academy of Sciences Publication Activity Database

Lengyel, Jozef; Pysanenko, Andriy; Fárník, Michal

2017-01-01

Roč. 17, č. 22 (2017), s. 14171-14180 ISSN 1680-7324 R&D Projects: GA ČR(CZ) GA17-04068S Grant - others:Austrian Science Fund (FWF)(AT) M1983-N34 Institutional support: RVO:61388955 Keywords : induced aerosol formation * particle formation * atmospheric implication Subject RIV: CF - Physical ; Theoretical Chemistry OBOR OECD: Physical chemistry

Atmospheric radiation measurement program facilities newsletter, September 2001.; TOPICAL

International Nuclear Information System (INIS)

Holdridge, D. J.

2001-01-01

Our Changing Climate-Is our climate really changing? How do we measure climate change? How can we predict what Earth's climate will be like for generations to come? One focus of the Atmospheric Radiation Measurement (ARM) Program is to improve scientific climate models enough to achieve reliable regional prediction of future climate. According to the Environmental Protection Agency (EPA), the global mean surface temperature has increased by 0.5-1.0 F since the late 19th century. The 20th century's 10 warmest years all occurred in the last 15 years of the century, with 1998 being the warmest year of record. The global mean surface temperature is measured by a network of temperature-sensing instruments distributed around the world, including ships, ocean buoys, and weather stations on land. The data from this network are retrieved and analyzed by various organizations, including the National Aeronautics and Space Administration, the National Oceanic and Atmospheric Administration, and the World Meteorological Organization. Worldwide temperature records date back to 1860. To reconstruct Earth's temperature history before 1860, scientists use limited temperature records, along with proxy indicators such as tree rings, pollen records, and analysis of air frozen in ancient ice. The solar energy received from the sun drives Earth's weather and climate. Some of this energy is reflected and filtered by the atmosphere, but most is absorbed by Earth's surface. The absorbed solar radiation warms the surface and is re-radiated as heat energy into the atmosphere. Some atmospheric gases, called greenhouse gases, trap some of the re-emitted heat, keeping the surface temperature regulated and suitable for sustaining life. Although the greenhouse effect is natural, some evidence indicates that human activities are producing increased levels of some greenhouse gases such as carbon dioxide, methane, and nitrous oxide. Scientists believe that the combustion of fossil fuels is

Fundamental molecular physics and chemistry. Radiological and Environmental Research Division annual report, October 1981-December 1982. Pt. 1

International Nuclear Information System (INIS)

1983-12-01

This document is the twelfth Annual Report of our Fundamental Molecular Physics and Chemistry Program. Scientifically, the work of the program deals with aspects of the physics and chemistry of molecules related to their interactions with photons, electrons, and other external agents. We chose these areas of study in view of our matic goals; that is to say, we chose them so that the eventual outcome of our work meets some of the needs of the US Department of Energy (DOE) and of other government agencies that support our research. First, we endeavor to determine theoretically and experimentally cross sections for electron and photon interactions with molecules, because those cross sections are indispensable for detailed microscopic analyses of the earliest processes of radiation action on any molecular substance, including biological materials. Those analyses in turn provide a sound basis for radiology and radiation dosimetry. Second, we study the spectroscopy of certain molecules and of small clusters of molecules because this topic is fundamental to the full understanding of atmospheric-pollutant chemistry

Fundamental molecular physics and chemistry. Radiological and Environmental Research Division annual report, October 1981-December 1982. Pt. 1

Energy Technology Data Exchange (ETDEWEB)

1983-12-01

This document is the twelfth Annual Report of our Fundamental Molecular Physics and Chemistry Program. Scientifically, the work of the program deals with aspects of the physics and chemistry of molecules related to their interactions with photons, electrons, and other external agents. We chose these areas of study in view of our matic goals; that is to say, we chose them so that the eventual outcome of our work meets some of the needs of the US Department of Energy (DOE) and of other government agencies that support our research. First, we endeavor to determine theoretically and experimentally cross sections for electron and photon interactions with molecules, because those cross sections are indispensable for detailed microscopic analyses of the earliest processes of radiation action on any molecular substance, including biological materials. Those analyses in turn provide a sound basis for radiology and radiation dosimetry. Second, we study the spectroscopy of certain molecules and of small clusters of molecules because this topic is fundamental to the full understanding of atmospheric-pollutant chemistry.

Data management and scientific integration within the Atmospheric Radiation Measurement Program

Science.gov (United States)

Gracio, Deborah K.; Hatfield, Larry D.; Yates, Kenneth R.; Voyles, Jimmy W.; Tichler, Joyce L.; Cederwall, Richard T.; Laufersweiler, Mark J.; Leach, Martin J.; Singley, Paul

1995-01-01

The Atmospheric Radiation Measurement (ARM) Program has been developed by the U.S. Department of Energy with the goal to improve the predictive capabilities of General Circulation Models (GCM's) in their treatment of clouds and radiative transfer effects. To achieve this goal, three experimental testbeds were designed for the deployment of instruments that will collect atmospheric data used to drive the GCM's. Each site, known as a Cloud and Radiation Testbed (CART), consists of a highly available, redundant data system for the collection of data from a variety of instrumentation. The first CART site was deployed in April 1992 in the Southern Great Plains (SGP), Lamont, Oklahoma, with the other two sites to follow in September 1995 in the Tropical Western Pacific and in 1997 on the North Slope of Alaska. Approximately 400 MB of data are transferred per day via the Internet from the SGP site to the ARM Experiment Center at Pacific Northwest Laboratory in Richland, Washington. The Experiment Center is central to the ARM data path and provides for the collection, processing, analysis, and delivery of ARM data. Data are received from the CART sites from a variety of instrumentation, observational systems, amd external data sources. The Experiment Center processes these data streams on a continuous basis to provide derived data products to the ARM Science Team in near real-time while providing a three-month running archive of data. A primary requirement of the ARM Program is to preserve and protect all data produced or acquired. This function is performed at Oak Ridge National Laboratory where leading edge technology is employed for the long-term storage of ARM data. The ARM Archive provides access to data for participation outside of the ARM Program. The ARM Program involves a collaborative effort by teams from various DOE National Laboratories, providing multi-disciplinary areas of expertise. This paper will discuss the collaborative methods in which the ARM teams

The atmospheric chemistry general circulation model ECHAM5/MESSy1: consistent simulation of ozone from the surface to the mesosphere

Directory of Open Access Journals (Sweden)

P. Jöckel

2006-01-01

Full Text Available The new Modular Earth Submodel System (MESSy describes atmospheric chemistry and meteorological processes in a modular framework, following strict coding standards. It has been coupled to the ECHAM5 general circulation model, which has been slightly modified for this purpose. A 90-layer model setup up to 0.01 hPa was used at spectral T42 resolution to simulate the lower and middle atmosphere. With the high vertical resolution the model simulates the Quasi-Biennial Oscillation. The model meteorology has been tested to check the influence of the changes to ECHAM5 and the radiation interactions with the new representation of atmospheric composition. In the simulations presented here a Newtonian relaxation technique was applied in the tropospheric part of the domain to weakly nudge the model towards the analysed meteorology during the period 1998–2005. This allows an efficient and direct evaluation with satellite and in-situ data. It is shown that the tropospheric wave forcing of the stratosphere in the model suffices to reproduce major stratospheric warming events leading e.g. to the vortex split over Antarctica in 2002. Characteristic features such as dehydration and denitrification caused by the sedimentation of polar stratospheric cloud particles and ozone depletion during winter and spring are simulated well, although ozone loss in the lower polar stratosphere is slightly underestimated. The model realistically simulates stratosphere-troposphere exchange processes as indicated by comparisons with satellite and in situ measurements. The evaluation of tropospheric chemistry presented here focuses on the distributions of ozone, hydroxyl radicals, carbon monoxide and reactive nitrogen compounds. In spite of minor shortcomings, mostly related to the relatively coarse T42 resolution and the neglect of inter-annual changes in biomass burning emissions, the main characteristics of the trace gas distributions are generally reproduced well. The MESSy

Volatile organic compounds and secondary organic aerosol in the Earth's atmosphere

International Nuclear Information System (INIS)

Galbally, Ian

2007-01-01

Full text: Recent research, when considered as a whole, suggests that a substantial fraction of both gas-phase and aerosol atmospheric organics have not been, or have very rarely been, directly measured. A review of the global budget for organic gases shows that we cannot account for the loss of approximately half the non-methane organic carbon entering the atmosphere. We suggest that this unaccounted-for loss most likely occurs through formation of secondary organic aerosols (SOAs), indicating that the source for these aerosols is an order of magnitude larger than current estimates. There is evidence that aged secondary organic aerosol can participate in both direct and indirect (cloud modifying) radiative forcing and that this influence may change with other global climate change. Even though our knowledge of the organic composition of the atmosphere is limited, these compounds clearly influence the reactive chemistry of the atmosphere and the formation, composition, and climate impact of aerosols A major challenge in the coming decade of atmospheric chemistry research will be to elucidate the sources, structure, chemistry, fate and influences of these clearly ubiquitous yet poorly constrained organic atmospheric constituents

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

Science.gov (United States)

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

2017-12-01

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

Correlation between the surface chemistry and the atmospheric corrosion of AZ31, AZ80 and AZ91D magnesium alloys

International Nuclear Information System (INIS)

Feliu, S.; Pardo, A.; Merino, M.C.; Coy, A.E.; Viejo, F.; Arrabal, R.

2009-01-01

X-ray photoelectron spectroscopy (XPS) was used in order to investigate the correlation between the surface chemistry and the atmospheric corrosion of AZ31, AZ80 and AZ91D magnesium alloys exposed to 98% relative humidity at 50 deg. C. Commercially pure magnesium, used as the reference material, revealed MgO, Mg(OH) 2 and tracers of magnesium carbonate in the air-formed film. For the AZ80 and AZ91D alloys, the amount of magnesium carbonate formed on the surface reached similar values to those of MgO and Mg(OH) 2 . A linear relation between the amount of magnesium carbonate formed on the surface and the subsequent corrosion behaviour in the humid environment was found. The AZ80 alloy revealed the highest amount of magnesium carbonate in the air-formed film and the highest atmospheric corrosion resistance, even higher than the AZ91D alloy, indicating that aluminium distribution in the alloy microstructure influenced the amount of magnesium carbonate formed.

EPA Environmental Chemistry Laboratory

Science.gov (United States)

1993-01-01

The Environmental Protection Agency's (EPA) Chemistry Laboratory (ECL) is a national program laboratory specializing in residue chemistry analysis under the jurisdiction of the EPA's Office of Pesticide Programs in Washington, D.C. At Stennis Space Center, the laboratory's work supports many federal anti-pollution laws. The laboratory analyzes environmental and human samples to determine the presence and amount of agricultural chemicals and related substances. Pictured, ECL chemists analyze environmental and human samples for the presence of pesticides and other pollutants.

Research program to investigate the fundamental chemistry of technetium

Energy Technology Data Exchange (ETDEWEB)

McKeown, David A.; Buechele, Andrew C.; Lukens, Wayne W.; Muller, Isabelle S.; Shuh, David K.; Pegg, Ian L.

2007-10-12

The objective of this research is to increase the knowledge of the fundamental technetium chemistry necessary to address challenges to the safe, long-term disposal of high-level nuclear waste posed by this element. The primary issues examined during the course of this project were the behavior of technetium and its surrogate rhenium during waste vitrification and glass corrosion. Since the redox behavior of technetium can play a large role in determining its volatility, one goal of this research was to better understand the behavior of technetium in glass as a function of the redox potential of the glass melt. In addition, the behavior of rhenium was examined, since rhenium is commonly used as a surrogate for technetium in waste vitrification studies. A number of glasses similar to Hanford Low Activity Waste (LAW) glasses were prepared under controlled atmospheres. The redox state of the glass was determined from the Fe(II)/Fe(III) ratio in the cooled glass, and the speciation of technetium and rhenium was determined by x-ray absorption fine structure (XAFS) spectroscopy. The behavior of rhenium and technetium during glass alteration was also examined using the vapor hydration test (VHT).

Planetary Sources for Reducing Sulfur Compounds for Cyanosulfidic Origins of Life Chemistry

Science.gov (United States)

Ranjan, S.; Todd, Z. R.; Sutherland, J.; Sasselov, D. D.

2017-12-01

A key challenge in origin-of-life studies is understanding the chemistry that lead to the origin of the key biomolecules of life, such as the components of nucleic acids, sugars, lipids, and proteins. Prebiotic reaction networks based upon reductive homologation of nitriles (e.g., Patel et al. 2015), are building a tantalizing picture of sustained abiotic synthesis of activated ribonucleotides, amino acids and lipid precursors under environmental conditions thought to have been available on early Earth. Sulfidic anions in aqueous solution (e.g., HS-, HSO3-) under near-UV irradiation play important roles in these chemical pathways. However, the sources and availability of these anions on early Earth have not yet been quantitatively constrained. Here, we evaluate the potential for the atmosphere to serve as a source of sulfidic anions, via dissolution of volcanically-outgassed SO2 and H2S into water reservoirs. We combine photochemical modeling from the literature (Hu et al. 2013) with equilibrium chemistry calculations to place constraints on the partial pressures of SO2 and H2S required to reach the elevated concentrations of sulfidic anions (≥1 μM) thought to be necessary for prebiotic chemistry. We find that micromolar levels of SO2-derived anions (HSO3-, SO3(2-)) are possible through simple exposure of aqueous reservoirs like shallow lakes to the atmosphere, assuming total sulfur emission flux comparable to today. Millimolar levels of these compounds are available during the epochs of elevated volcanism, due to elevated sulfur emission flux. Radiative transfer modeling suggests the atmospheric sulfur will not block the near-UV radiation also required for the cyanosulfidic chemistry. However, H2S-derived anions (e.g., HS-) reach only sub-micromolar levels from atmospheric sources, meaning that prebiotic chemistry invoking such molecules must invoke specialized, local sources. Prebiotic chemistry invoking SO2-derived anions may be considered more robust than

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

Science.gov (United States)

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

2018-02-01

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

Reactions of substituted benzene anions with N and O atoms: Chemistry in Titan’s upper atmosphere and the interstellar medium

Energy Technology Data Exchange (ETDEWEB)

Wang, Zhe-Chen; Bierbaum, Veronica M. [Department of Chemistry and Biochemistry, University of Colorado, Boulder, Colorado 80309 (United States)

2016-06-07

The likely existence of aromatic anions in many important extraterrestrial environments, from the atmosphere of Titan to the interstellar medium (ISM), is attracting increasing attention. Nitrogen and oxygen atoms are also widely observed in the ISM and in the ionospheres of planets and moons. In the current work, we extend previous studies to explore the reactivity of prototypical aromatic anions (deprotonated toluene, aniline, and phenol) with N and O atoms both experimentally and computationally. The benzyl and anilinide anions both exhibit slow associative electron detachment (AED) processes with N atom, and moderate reactivity with O atom in which AED dominates but ionic products are also formed. The reactivity of phenoxide is dramatically different; there is no measurable reaction with N atom, and the moderate reactivity with O atom produces almost exclusively ionic products. The reaction mechanisms are studied theoretically by employing density functional theory calculations, and spin conversion is found to be critical for understanding some product distributions. This work provides insight into the rich gas-phase chemistry of aromatic ion-atom reactions and their relevance to ionospheric and interstellar chemistry.

Atmospheric chemistry of isoflurane, desflurane, and sevoflurane

DEFF Research Database (Denmark)

Andersen, Mads P. Sulbæk; Nielsen, Ole John; Karpichev, Boris

2012-01-01

(sevoflurane) are estimated at 3.2, 14, and 1.1 years, respectively. The 100 year time horizon global warming potentials of isoflurane, desflurane, and sevoflurane are 510, 2540, and 130, respectively. The atmospheric degradation products of these anesthetics are not of environmental concern....

Observations of peroxyacetyl nitrate (PAN) in the upper troposphere by the Atmospheric Chemistry Experiment Fourier Transform Spectrometer (ACE-FTS)

Science.gov (United States)

Tereszchuk, K. A.; Moore, D. P.; Harrison, J. J.; Boone, C. D.; Park, M.; Remedios, J. J.; Randel, W. J.; Bernath, P. F.

2013-01-01

Peroxyacetyl nitrate (CH3CO·O2NO2, abbreviated as PAN) is a trace molecular species present in the troposphere and lower stratosphere due primarily to pollution from fuel combustion and the pyrogenic outflows from biomass burning. In the lower troposphere, PAN has a relatively short life-time and is principally destroyed within a few hours through thermolysis, but it can act as a reservoir and carrier of NOx in the colder temperatures of the upper troposphere where UV photolysis becomes the dominant loss mechanism. Pyroconvective updrafts from large biomass burning events can inject PAN into the upper troposphere and lower stratosphere (UTLS), providing a means for the long-range transport of NOx. Given the extended lifetimes at these higher altitudes, PAN is readily detectable via satellite remote sensing. A new PAN data product is now available for the Atmospheric Chemistry Experiment Fourier Transform Spectrometer (ACE-FTS) Version 3.0 data set. We report measurements of PAN in Boreal biomass burning plumes recorded during the Quantifying the impact of BOReal forest fires on Tropospheric oxidants over the Atlantic using Aircraft and Satellites (BORTAS) campaign. The retrieval method employed and errors analysis are described in full detail. The retrieved volume mixing ratio (VMR) profiles are compared to coincident measurements made by the Michelson Interferometer for Passive Atmospheric Sounding (MIPAS) instrument on the European Space Agency (ESA) ENVIronmental SATellite (ENVISAT). Three ACE-FTS occultations containing measurements of Boreal biomass burning outflows, recorded during BORTAS, were identified as having coincident measurements with MIPAS. In each case, the MIPAS measurements demonstrated good agreement with the ACE-FTS VMR profiles for PAN. The ACE-FTS PAN data set is used to obtain zonal mean distributions of seasonal averages from ~5 to 20 km. A strong seasonality is clearly observed for PAN concentrations in the global UTLS. Since the

Final Technical Report for earmark project "Atmospheric Science Program at the University of Louisville"

Energy Technology Data Exchange (ETDEWEB)

Dowling, Timothy Edward [University of Louisville

2014-02-11

We have completed a 3-year project to enhance the atmospheric science program at the University of Louisville, KY (est. 2008). The goals were to complete an undergraduate atmospheric science laboratory (Year 1) and to hire and support an assistant professor (Years 2 and 3). Both these goals were met on schedule, and slightly under budget.

Pacific Northwest Laboratory annual report for 1992 to the DOE Office of Energy Research. Part 3, Atmospheric and climate research

Energy Technology Data Exchange (ETDEWEB)

Schrempf, R.E. [ed.

1993-04-01

Within the US Department of Energy`s (DOE`s) Office of Health and Environmental Research (OHER), the atmospheric sciences and carbon dioxide research programs are part of the Environmental Sciences Division (ESD). One of the central missions of the division is to provide the DOE with scientifically defensible information on the local, regional, and global distributions of energy-related pollutants and their effects on climate. This information is vital to the definition and implementation of a sound national energy strategy. This volume reports on the progress and status of all OHER atmospheric science and climate research projects at the Pacific Northwest Laboratory (PNL). PNL has had a long history of technical leadership in the atmospheric sciences research programs within OHER. Within the ESD, the Atmospheric Chemistry Program (ACP) continues DOE`s long-term commitment to study the continental and oceanic fates of energy-related air pollutants. Research through direct measurement, numerical modeling, and laboratory studies in the ACP emphasizes the long-range transport, chemical transformation, and removal of emitted pollutants, oxidant species, nitrogen-reservoir species, and aerosols. The Atmospheric Studies in Complex Terrain (ASCOT) program continues to apply basic research on density-driven circulations and on turbulent mixing and dispersion in the atmospheric boundary layer to the micro- to mesoscale meteorological processes that affect air-surface exchange and to emergency preparedness at DOE and other facilities. Research at PNL provides basic scientific underpinnings to DOE`s program of global climate research. Research projects within the core carbon dioxide and ocean research programs are now integrated with those in the Atmospheric Radiation Measurements (ARM), the Computer Hardware, Advanced Mathematics and Model Physics (CHAMMP), and Quantitative Links programs to form DOE`s contribution to the US Global Change Research Program.

The global atmospheric environment for the next generation

NARCIS (Netherlands)

Dentener, F.; Stevenson, D.; Ellingsen, K.; Noije, van T.; Schultz, M.; Amann, M.; Atherton, C.; Bell, N.; Bergmann, D.; Bey, I.; Bouwman, L.; Butler, T.; Cofala, J.; Collins, B.; Drevet, J.; Doherty, R.; Eickhout, B.; Eskes, H.; Fiore, A.; Gauss, M.; Hauglustaine, D.; Horowitz, L.; Isaksen, I.S.A.; Josse, B.; Lawrence, M.; Krol, M.C.; Lamarque, J.F.; Montanaro, V.; Müller, J.F.; Peuch, V.H.; Pitari, G.; Pyle, J.; Rast, S.; Rodriguez, J.; Sanderson, M.; Savage, N.H.; Shindell, D.; Strahan, S.; Szopa, S.; Sudo, K.; Dingenen, van R.; Wild, O.; Zeng, G.

2006-01-01

Air quality, ecosystem exposure to nitrogen deposition, and climate change are intimately coupled problems: we assess changes in the global atmospheric environment between 2000 and 2030 using 26 state-of-the-art global atmospheric chemistry models and three different emissions scenarios. The first

Satellite data sets for the atmospheric radiation measurement (ARM) program

Energy Technology Data Exchange (ETDEWEB)

Shi, L.; Bernstein, R.L. [SeaSpace Corp., San Diego, CA (United States)

1996-04-01

This abstract describes the type of data obtained from satellite measurements in the Atmospheric Radiation Measurement (ARM) program. The data sets have been widely used by the ARM team to derive cloud-top altitude, cloud cover, snow and ice cover, surface temperature, water vapor, and wind, vertical profiles of temperature, and continuoous observations of weather needed to track and predict severe weather.

CTD data of the Hawaii Ocean Time-series (HOT) program in the North Pacific 100 miles north of Oahu, Hawaii for cruises HOT249-258 during 2013 (NODC Accession 0125647)

Data.gov (United States)

National Oceanic and Atmospheric Administration, Department of Commerce — The HOT program makes repeated observations of the physics, biology and chemistry at a site approximately 100 km north of Oahu, Hawaii. The program began in 1988....

Thermosalinograph data of the Hawaii Ocean Time-series (HOT) program in the North Pacific 100 miles north of Oahu, Hawaii for cruises HOT259-268 during 2014 (NCEI Accession 0140225)

Data.gov (United States)

National Oceanic and Atmospheric Administration, Department of Commerce — The HOT program makes repeated observations of the physics, biology and chemistry at a site approximately 100 km north of Oahu, Hawaii. The program began in 1988....

Nitrogen Compounds in Radiation Chemistry

International Nuclear Information System (INIS)

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

2009-01-01

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

Primary Water Chemistry Control during a Planned Outage at Bruce Power

International Nuclear Information System (INIS)

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

2012-09-01

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

Model Stellar Atmospheres and Real Stellar Atmospheres and Status of the ATLAS12 Opacity Sampling Program and of New Programs for Rosseland and for Distribution Function Opacity

Science.gov (United States)

Kurucz, Robert L.

1996-01-01

I discuss errors in theory and in interpreting observations that are produced by the failure to consider resolution in space, time, and energy. I discuss convection in stellar model atmospheres and in stars. Large errors in abundances are possible such as the factor of ten error in the Li abundance for extreme Population II stars. Finally I discuss the variation of microturbulent velocity with depth, effective temperature, gravity, and abundance. These variations must be dealt with in computing models and grids and in any type of photometric calibration. I have also developed a new opacity-sampling version of my model atmosphere program called ATLAS12. It recognizes more than 1000 atomic and molecular species, each in up to 10 isotopic forms. It can treat all ions of the elements up through Zn and the first 5 ions of heavier elements up through Es. The elemental and isotopic abundances are treated as variables with depth. The fluxes predicted by ATLAS12 are not accurate in intermediate or narrow bandpass intervals because the sample size is too small. A special stripped version of the spectrum synthesis program SYNTHE is used to generate the surface flux for the converged model using the line data on CD-ROMs 1 and 15. ATLAS12 can be used to produce improved models for Am and Ap stars. It should be very useful for investigating diffusion effects in atmospheres. It can be used to model exciting stars for H II regions with abundances consistent with those of the H II region. These programs and line files will be distributed on CD-ROMs.

Methane Feedback on Atmospheric Chemistry: Methods, Models, and Mechanisms

Science.gov (United States)

Holmes, Christopher D.

2018-04-01

The atmospheric methane (CH4) chemical feedback is a key process for understanding the behavior of atmospheric CH4 and its environmental impact. This work reviews how the feedback is defined and used, then examines the meteorological, chemical, and emission factors that control the feedback strength. Geographical and temporal variations in the feedback are described and explained by HOx (HOx = OH + HO2) production and partitioning. Different CH4 boundary conditions used by models, however, make no meaningful difference to the feedback calculation. The strength of the CH4 feedback depends on atmospheric composition, particularly the atmospheric CH4 burden, and is therefore not constant. Sensitivity tests show that the feedback depends very weakly on temperature, insolation, water vapor, and emissions of NO. While the feedback strength has likely remained within 10% of its present value over the industrial era and likely will over the twenty-first century, neglecting these changes biases our understanding of CH4 impacts. Most environmental consequences per kg of CH4 emissions, including its global warming potential (GWP), scale with the perturbation time, which may have grown as much as 40% over the industrial era and continues to rise.

Presidential Green Chemistry Challenge: 2001 Academic Award

Science.gov (United States)

Presidential Green Chemistry Challenge 2001 award winner, Professor Chao-Jun Li, uses metal catalysts in water to carry out chemical reactions that used to need both an oxygen-free atmosphere and hazardous organic solvents.

Experimental and Theoretical Studies of Atmosphereic Inorganic Chlorine Chemistry

Science.gov (United States)

Sander, Stanley P.; Friedl, Randall R.

1993-01-01

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

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

Energy Technology Data Exchange (ETDEWEB)

Chase, L.

1997-03-01

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

Computational quantum chemistry website

International Nuclear Information System (INIS)

1997-01-01

This report contains the contents of a web page related to research on the development of quantum chemistry methods for computational thermochemistry and the application of quantum chemistry methods to problems in material chemistry and chemical sciences. Research programs highlighted include: Gaussian-2 theory; Density functional theory; Molecular sieve materials; Diamond thin-film growth from buckyball precursors; Electronic structure calculations on lithium polymer electrolytes; Long-distance electronic coupling in donor/acceptor molecules; and Computational studies of NOx reactions in radioactive waste storage

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

Energy Technology Data Exchange (ETDEWEB)

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

1992-12-01

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

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

International Nuclear Information System (INIS)

Emren, A.

1992-12-01

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

Program and Poster Abstracts from the Workshop on the Formation and Growth of Atmospheric Aerosols

Energy Technology Data Exchange (ETDEWEB)

McMurry, Peter H. [Univ. of Minnesota, Minneapolis, MN (United States). Dept. of Mechanical Engineering; Kulmala, Markku [Univ. of Helsinki (Finland). Dept. of Physics. Division of Atmospheric Sciences

2006-09-09

DOE provided $11,000 to sponsor the Workshop on New Particle Formation in the Atmosphere, which was held at The Riverwood Inn and Conference Center near Minneapolis, MN from September 7 to 9, 2006. Recent work has shown that new particle formation is an important atmospheric process that must be better understood due to its impact on cloud cover and the Earth's radiation balance. The conference was an informal gathering of atmospheric and basic scientists with expertise pertinent to this topic. The workshop included discussions of: • atmospheric modeling; • computational chemistry pertinent to clustering; • ions and ion induced nucleation; • basic laboratory and theoretical studies of nucleation; • studies on neutral molecular clusters; • interactions of organic compounds and sulfuric acid; • composition of freshly nucleated particles. Fifty six scientists attended the conference. They included 27 senior scientists, 9 younger independent scientists (assistant professor or young associate professor level), 7 postdocs, 13 graduate students, 10 women, 35 North Americans (34 from the U.S.), 1 Asian, and 20 Europeans. This was an excellent informal workshop on an important topic. An effort was made to include individuals from communities that do not regularly interact. A number of participants have provided informal feedback indicating that the workshop led to research ideas and possible future collaborations. This document includes abstracts from this workshop.

External quality-assurance results for the national atmospheric deposition program/national trends network, 2000-2001

Science.gov (United States)

Wetherbee, Gregory A.; Latysh, Natalie E.; Gordon, John D.

2004-01-01

Five external quality-assurance programs were operated by the U.S. Geological Survey for the National Atmospheric Deposition Program/National Trends Network (NADP/NTN) from 2000 through 2001 (study period): the intersite-comparison program, the blind-audit program, the field-audit program, the interlaboratory-comparison program, and the collocated-sampler program. Each program is designed to measure specific components of the total error inherent in NADP/NTN wet-deposition measurements. The intersite-comparison program assesses the variability and bias of pH and specific-conductance determinations made by NADP/NTN site operators with respect to accuracy goals. The accuracy goals are statistically based using the median of all of the measurements obtained for each of four intersite-comparison studies. The percentage of site operators responding on time that met the pH accuracy goals ranged from 84.2 to 90.5 percent. In these same four intersite-comparison studies, 88.9 to 99.0 percent of the site operators met the accuracy goals for specific conductance. The blind-audit program evaluates the effects of routine sample handling, processing, and shipping on the chemistry of weekly precipitation samples. The blind-audit data for the study period indicate that sample handling introduced a small amount of sulfate contamination and slight changes to hydrogen-ion content of the precipitation samples. The magnitudes of the paired differences are not environmentally significant to NADP/NTN data users. The field-audit program (also known as the 'field-blank program') was designed to measure the effects of field exposure, handling, and processing on the chemistry of NADP/NTN precipitation samples. The results indicate potential low-level contamination of NADP/NTN samples with calcium, ammonium, chloride, and nitrate. Less sodium contamination was detected by the field-audit data than in previous years. Statistical analysis of the paired differences shows that contaminant ions

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

International Nuclear Information System (INIS)

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

2010-01-01

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

Plants, Pollution and Public Engagement with Atmospheric Chemistry: Sharing the TEMPO Story Through Ozone Garden Activities

Science.gov (United States)

Reilly, L. G.; Pippin, M. R.; Malick, E.; Summers, D.; Dussault, M. E.; Wright, E. A.; Skelly, J.

2016-12-01

What do a snap-bean plant and a future NASA satellite instrument named TEMPO have in common? They are both indicators of the quality of the air we breathe. Scientists, educators, and museum and student collaborators of the Tropospheric Emissions: Monitoring Pollution (TEMPO) instrument team are developing a program model to engage learners of all ages via public ozone garden exhibits and associated activities. TEMPO, an ultraviolet and visible spectroscopy instrument due for launch on a geostationary host satellite between 2019 and 2021, will scan North America hourly to measure the major elements in the tropospheric ozone chemistry cycle, providing near real-time data with high temporal and spatial resolution. The TEMPO mission provides a unique opportunity to share the story of the effects of air quality on living organisms. A public ozone garden exhibit affords an accessible way to understand atmospheric science through a connection with nature, while providing a visual representation of the impact of ozone pollution on living organisms. A prototype ozone garden exhibit was established at the Virginia Living Museum in partnership with NASA Langley, and has served as a site to formatively evaluate garden planting and exhibit display protocols, hands-on interpretive activities, and citizen science data collection protocols for learners as young as 3 to 10 as well as older adults. The fun and engaging activities, optimized for adult-child interaction in informal or free-choice learning environments, are aimed at developing foundational science skills such as observing, comparing, classifying, and collecting and making sense of data in the context of thinking about air quality - all NGSS-emphasized scientific practices, as well as key capabilities for future contributing members of the citizen science community. As the launch of TEMPO approaches, a major public engagement effort will include disseminating this ozone garden exhibit and program model to a network of

Atmospheric Gas-Phase Reactions of Fluorinated Compounds and Alkenes

DEFF Research Database (Denmark)

Østerstrøm, Freja From

Experimental studies have been performed using three different smog chamber setups to investigate the atmospheric chemistry of fluorinated compounds as well as alkenes. The three instruments were at Ford Motor Company, USA, National Center for Atmospheric Research, USA, and Copenhagen Center...

Atmospheric Constituents in GEOS-5: Components for an Earth System Model

Science.gov (United States)

Pawson, Steven; Douglass, Anne; Duncan, Bryan; Nielsen, Eric; Ott, Leslie; Strode, Sarah

2011-01-01

The GEOS-S model is being developed for weather and climate processes, including the implementation of "Earth System" components. While the stratospheric chemistry capabilities are mature, we are presently extending this to include predictions of the tropospheric composition and chemistry - this includes CO2, CH4, CO, nitrogen species, etc. (Aerosols are also implemented, but are beyond the scope of this paper.) This work will give an overview of our chemistry modules, the approaches taken to represent surface emissions and uptake of chemical species, and some studies of the sensitivity of the atmospheric circulation to changes in atmospheric composition. Results are obtained through focused experiments and multi-decadal simulations.

Staff rosters for 1979: environmental programs

Energy Technology Data Exchange (ETDEWEB)

1979-12-01

The roster of the scientific and professional staffs of the Environmental Programs of the Department of Energy and Environment has been compiled as of December 1979. Staff members have been listed according to their organizational units, i.e., the Atmospheric Sciences Division, the Environmental Chemistry Division, the Oceanographic Sciences Division, and the Land and Freshwater Environmental Sciences Group. Educational background, research interests, professional activities, summary of experience at BNL, and selected publications have been included for each member listed.

WATER FORMATION IN THE UPPER ATMOSPHERE OF THE EARLY EARTH

Energy Technology Data Exchange (ETDEWEB)

Fleury, Benjamin; Carrasco, Nathalie; Marcq, Emmanuel; Vettier, Ludovic; Määttänen, Anni, E-mail: benjamin.fleury@latmos.ipsl.fr [Université Versailles St-Quentin, Sorbonne Universités, UPMC Univ. Paris 06, CNRS/INSU, LATMOS-IPSL, 11 Boulevard d’Alembert, F-78280 Guyancourt (France)

2015-07-10

The water concentration and distribution in the early Earth's atmosphere are important parameters that contribute to the chemistry and the radiative budget of the atmosphere. If the atmosphere above the troposphere is generally considered as dry, photochemistry is known to be responsible for the production of numerous minor species. Here we used an experimental setup to study the production of water in conditions simulating the chemistry above the troposphere of the early Earth with an atmospheric composition based on three major molecules: N{sub 2}, CO{sub 2}, and H{sub 2}. The formation of gaseous products was monitored using infrared spectroscopy. Water was found as the major product, with approximately 10% of the gas products detected. This important water formation is discussed in the context of the early Earth.

Modeling the Chemical Complexity in Titan's Atmosphere

Science.gov (United States)

Vuitton, Veronique; Yelle, Roger; Klippenstein, Stephen J.; Horst, Sarah; Lavvas, Panayotis

2018-06-01

Titan's atmospheric chemistry is extremely complicated because of the multiplicity of chemical as well as physical processes involved. Chemical processes begin with the dissociation and ionization of the most abundant species, N2 and CH4, by a variety of energy sources, i.e. solar UV and X-ray photons, suprathermal electrons (reactions involving radicals as well as positive and negative ions, all possibly in some excited electronic and vibrational state. Heterogeneous chemistry at the surface of the aerosols could also play a significant role. The efficiency and outcome of these reactions depends strongly on the physical characteristics of the atmosphere, namely pressure and temperature, ranging from 1.5×103 to 10-10 mbar and from 70 to 200 K, respectively. Moreover, the distribution of the species is affected by molecular diffusion and winds as well as escape from the top of the atmosphere and condensation in the lower stratosphere.Photochemical and microphysical models are the keystones of our understanding of Titan's atmospheric chemistry. Their main objective is to compute the distribution and nature of minor chemical species (typically containing up to 6 carbon atoms) and haze particles, respectively. Density profiles are compared to the available observations, allowing to identify important processes and to highlight those that remain to be constrained in the laboratory, experimentally and/or theoretically. We argue that positive ion chemistry is at the origin of complex organic molecules, such as benzene, ammonia and hydrogen isocyanide while neutral-neutral radiative association reactions are a significant source of alkanes. We find that negatively charged macromolecules (m/z ~100) attract the abundant positive ions, which ultimately leads to the formation of the aerosols. We also discuss the possibility that an incoming flux of oxygen from Enceladus, another Saturn's satellite, is responsible for the presence of oxygen-bearing species in Titan's reductive

Solid state chemistry an introduction

CERN Document Server

Smart, Lesley E

2012-01-01

""Smart and Moore are engaging writers, providing clear explanations for concepts in solid-state chemistry from the atomic/molecular perspective. The fourth edition is a welcome addition to my bookshelves. … What I like most about Solid State Chemistry is that it gives simple clear descriptions for a large number of interesting materials and correspondingly clear explanations of their applications. Solid State Chemistry could be used for a solid state textbook at the third or fourth year undergraduate level, especially for chemistry programs. It is also a useful resource for beginning graduate

Atmospheric chemistry of 4:2 fluorotelomer alcohol (n-C₄F₉CH₂CH₂OH)

DEFF Research Database (Denmark)

Andersen, Mads Peter Sulbæk; Nielsen, Ole John; Hurley, M. D.

2005-01-01

Smog chamber/FTIR techniques were used to study the Cl atom initiated oxidation of 4:2 fluorotelomer alcohol (C4F9CH2CH2OH, 4:2 FTOH) in the presence of NOx in 700 Torr of N-2/O-2 diluent at 296 K. Chemical activation effects play an important role in the atmospheric chemistry of the peroxy...

Validation of ozone measurements from the Atmospheric Chemistry Experiment (ACE

Directory of Open Access Journals (Sweden)

E. Dupuy

2009-01-01

Full Text Available This paper presents extensive {bias determination} analyses of ozone observations from the Atmospheric Chemistry Experiment (ACE satellite instruments: the ACE Fourier Transform Spectrometer (ACE-FTS and the Measurement of Aerosol Extinction in the Stratosphere and Troposphere Retrieved by Occultation (ACE-MAESTRO instrument. Here we compare the latest ozone data products from ACE-FTS and ACE-MAESTRO with coincident observations from nearly 20 satellite-borne, airborne, balloon-borne and ground-based instruments, by analysing volume mixing ratio profiles and partial column densities. The ACE-FTS version 2.2 Ozone Update product reports more ozone than most correlative measurements from the upper troposphere to the lower mesosphere. At altitude levels from 16 to 44 km, the average values of the mean relative differences are nearly all within +1 to +8%. At higher altitudes (45–60 km, the ACE-FTS ozone amounts are significantly larger than those of the comparison instruments, with mean relative differences of up to +40% (about +20% on average. For the ACE-MAESTRO version 1.2 ozone data product, mean relative differences are within ±10% (average values within ±6% between 18 and 40 km for both the sunrise and sunset measurements. At higher altitudes (~35–55 km, systematic biases of opposite sign are found between the ACE-MAESTRO sunrise and sunset observations. While ozone amounts derived from the ACE-MAESTRO sunrise occultation data are often smaller than the coincident observations (with mean relative differences down to −10%, the sunset occultation profiles for ACE-MAESTRO show results that are qualitatively similar to ACE-FTS, indicating a large positive bias (mean relative differences within +10 to +30% in the 45–55 km altitude range. In contrast, there is no significant systematic difference in bias found for the ACE-FTS sunrise and sunset measurements.

Tropospheric ozone changes, radiative forcing and attribution to emissions in the Atmospheric Chemistry and Climate Model Intercomparison Project (ACCMIP

Directory of Open Access Journals (Sweden)

D. S. Stevenson

2013-03-01

Full Text Available Ozone (O3 from 17 atmospheric chemistry models taking part in the Atmospheric Chemistry and Climate Model Intercomparison Project (ACCMIP has been used to calculate tropospheric ozone radiative forcings (RFs. All models applied a common set of anthropogenic emissions, which are better constrained for the present-day than the past. Future anthropogenic emissions follow the four Representative Concentration Pathway (RCP scenarios, which define a relatively narrow range of possible air pollution emissions. We calculate a value for the pre-industrial (1750 to present-day (2010 tropospheric ozone RF of 410 mW m−2. The model range of pre-industrial to present-day changes in O3 produces a spread (±1 standard deviation in RFs of ±17%. Three different radiation schemes were used – we find differences in RFs between schemes (for the same ozone fields of ±10%. Applying two different tropopause definitions gives differences in RFs of ±3%. Given additional (unquantified uncertainties associated with emissions, climate-chemistry interactions and land-use change, we estimate an overall uncertainty of ±30% for the tropospheric ozone RF. Experiments carried out by a subset of six models attribute tropospheric ozone RF to increased emissions of methane (44±12%, nitrogen oxides (31 ± 9%, carbon monoxide (15 ± 3% and non-methane volatile organic compounds (9 ± 2%; earlier studies attributed more of the tropospheric ozone RF to methane and less to nitrogen oxides. Normalising RFs to changes in tropospheric column ozone, we find a global mean normalised RF of 42 mW m−2 DU−1, a value similar to previous work. Using normalised RFs and future tropospheric column ozone projections we calculate future tropospheric ozone RFs (mW m−2; relative to 1750 for the four future scenarios (RCP2.6, RCP4.5, RCP6.0 and RCP8.5 of 350, 420, 370 and 460 (in 2030, and 200, 300, 280 and 600 (in 2100. Models show some coherent responses of ozone to climate change

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

Science.gov (United States)

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

2017-01-01

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

Programming chemistry in DNA-addressable bioreactors

DEFF Research Database (Denmark)

Fellermann, H.; Cardelli, L.

2014-01-01

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

Meteorology Research in DOE's Atmosphere to Electrons (A2e) Program

Science.gov (United States)

Cline, J.; Haupt, S. E.; Shaw, W. J.

2017-12-01

DOE's Atmosphere to electrons (A2e) program is performing cutting edge research to allow optimization of wind plants. This talk will summarize the atmospheric science portion of A2e, with an overview of recent and planned observation and modeling projects designed to bridge the terra incognita between the mesoscale and the microscales that affect wind plants. Introduction A2e is a major focus of the Wind Energy Technologies Office (WETO) within the Office of Energy Efficiency & Renewable Energy (EERE) at the DOE. The overall objective of A2e is to optimize wind power production and integrates improved knowledge of atmospheric inflow (fuel), turbine and plant aerodynamics, and control systems. The atmospheric component of the work addresses both the need for improved forecasting of hub-height winds and the need for improved turbulence characterization for turbine inflows under realistic atmospheric conditions and terrain. Several projects will be discussed to address observations of meteorological variables in regions not typically observed. The modelling needs are addressed through major multi-institutional integrated studies comprising both theoretical and numerical advances to improve models and field observations for physical insight. Model improvements are subjected to formal verification and validation, and numerical and observational data are archived and disseminated to the public through the A2e Data Archive and Portal (DAP; http://a2e.energy.gov). The overall outcome of this work will be increased annual energy production from wind plants and improved turbine lifetimes through a better understanding of atmospheric loading. We will briefly describe major components of the atmospheric part of the A2e strategy and work being done and planned.

BWR normal water chemistry guidelines: 1986 revision

International Nuclear Information System (INIS)

1988-09-01

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

The Development and Assessment of an Experimental Teacher Training Program for Beginning Graduate Assistants in Chemistry.

Science.gov (United States)

Murphy, Michael D.

In this study a training program for new teaching assistants in freshman chemistry was developed and assessed. All new assistants in the Freshman Division were assigned by a stratified random technique to either the control or treatment group, with the latter receiving inservice training in the skills of teaching recitation classes. This training…

Pacific Northwest Laboratory annual report for 1994 to the DOE Office of Energy Research. Part 2: Atmospheric and climate research

Energy Technology Data Exchange (ETDEWEB)

NONE

1995-04-01

Atmospheric research at Pacific Northwest Laboratory (PNL) occurs in conjunction with the Atmospheric Chemistry Program (ACP) and with the Atmospheric Studies in Complex Terrain (ASCOT) Program. Solicitations for proposals and peer review were used to select research projects for funding in FY 1995. Nearly all ongoing projects were brought to a close in FY 1994. Therefore, the articles in this volume include a summary of the long-term accomplishments as well as the FY 1994 progress made on these projects. The following articles present summaries of the progress in FY 1994 under these research tasks: continental and oceanic fate of pollutants; research aircraft operations; ASCOT program management; coupling/decoupling of synoptic and valley circulations; interactions between surface exchange processes and atmospheric circulations; and direct simulations of atmospheric turbulence. Climate change research at PNL is aimed at reducing uncertainties in the fundamental processes that control climate systems that currently prevent accurate predictions of climate change and its effects. PNL is responsible for coordinating and integrating the field and laboratory measurement programs, modeling studies, and data analysis activities of the Atmospheric Radiation Measurements (ARM) program. In FY 1994, PNL scientists conducted 3 research projects under the ARM program. In the first project, the sensitivity of GCM grid-ad meteorological properties to subgrid-scale variations in surface fluxes and subgrid-scale circulation patterns is being tested in a single column model. In the second project, a new and computationally efficient scheme has been developed for parameterizing stratus cloud microphysics in general circulation models. In the last project, a balloon-borne instrument package is being developed for making research-quality measurements of radiative flux divergence profiles in the lowest 1,500 meters of the Earth`s atmosphere.

Chemistry Simulations Using MERRA-2 Reanalysis with the GMI CTM and Replay in Support of the Atmospheric Composition Community

Science.gov (United States)

Oman, Luke D.; Strahan, Susan E.

2016-01-01

Simulations using reanalyzed meteorological conditions have been long used to understand causes of atmospheric composition change over the recent past. Using the new Modern-Era Retrospective analysis for Research and Applications, version 2 (MERRA-2) meteorology, chemistry simulations are being conducted to create products covering 1980-2016 for the atmospheric composition community. These simulations use the Global Modeling Initiative (GMI) chemical mechanism in two different models: the GMI Chemical Transport Model (CTM) and the GEOS-5 model developed Replay mode. Replay mode means an integration of the GEOS-5 general circulation model that is incrementally adjusted each time step toward the MERRA-2 analysis. The GMI CTM is a 1 x 1.25 simulation and the MERRA-2 GMI Replay simulation uses the native MERRA-2 approximately horizontal resolution on the cubed sphere. The Replay simulations is driven by the online use of key MERRA-2 meteorological variables (i.e. U, V, T, and surface pressure) with all other variables calculated in response to those variables. A specialized set of transport diagnostics is included in both runs to better understand trace gas transport and changes over the recent past.

76 FR 24921 - Proposal Review Panel for Chemistry; Notice of Meeting

Science.gov (United States)

2011-05-03

... NATIONAL SCIENCE FOUNDATION Proposal Review Panel for Chemistry; Notice of Meeting In accordance with the Federal Advisory Committee Act (Pub. L. 92- 463, as amended), the National Science Foundation..., Program Director, Chemistry Centers Program, Division of Chemistry, Room 1055, National Science Foundation...

Reactor coolant system and containment aqueous chemistry

International Nuclear Information System (INIS)

Torgerson, D.F.

1986-01-01

Fission products released from fuel during reactor accidents can be subject to a variety of environments that will affect their ultimate behavior. In the reactor coolant system (RCS), for example, neutral or reducing steam conditions, radiation, and surfaces could all have an effect on fission product retention and chemistry. Furthermore, if water is encountered in the RCS, the high temperature aqueous chemistry of fission products must be assessed to determine the quantity and chemical form of fission products released to the containment building. In the containment building, aqueous chemistry will determine the longer-term release of volatile fission products to the containment atmosphere. Over the past few years, the principles of physical chemistry have been rigorously applied to the various chemical conditions described above. This paper reviews the current state of knowledge and discusses the future directions of chemistry research relating to the behavior of fission products in the RCS and containment

Atmospheric Research 2012 Technical Highlights

Science.gov (United States)

Lau, William K -M.

2013-01-01

This annual report, as before, is intended for a broad audience. Our readers include colleagues within NASA, scientists outside the Agency, science graduate students, and members of the general public. Inside are descriptions of atmospheric research science highlights and summaries of our education and outreach accomplishments for calendar year 2012.The report covers research activities from the Mesoscale Atmospheric Processes Laboratory, the Climate and Radiation Laboratory, the Atmospheric Chemistry and Dynamics Laboratory, and the Wallops Field Support Office under the Office of Deputy Director for Atmospheres, Earth Sciences Division in the Sciences and Exploration Directorate of NASAs Goddard Space Flight Center. The overall mission of the office is advancing knowledge and understanding of the Earths atmosphere. Satellite missions, field campaigns, peer-reviewed publications, and successful proposals are essential to our continuing research.

Atmospheric chemistry of HFC-134a. Kinetic and mechanistic study of the CF3CFHO2 + NO2 reaction

DEFF Research Database (Denmark)

Møgelberg, T.E.; Nielsen, O.J.; Sehested, J.

1994-01-01

A pulse radiolysis system was used to study the kinetics of the reaction of CF3CFHO2 with NO2. By monitoring the rate of the decay of NO2 using its absorption at 400 nm the reaction rate constant was determined to be k = (5.0 +/- 0.5) x 10(-12) cm3 molecule-1 s-1. A long path length Fourier......-transform infrared technique was used to investigate the thermal decomposition of the product CF3CFHO2NO2. At 296 K in the presence of 700 Torr of air, decomposition of CF3CFHO2NO2 was rapid (greater than 90% decomposition within 3 min). The results are discussed in the context of atmospheric chemistry of CF3CFH2...

Standard guide for establishing a quality assurance program for analytical chemistry laboratories within the nuclear industry

CERN Document Server

American Society for Testing and Materials. Philadelphia

2006-01-01

1.1 This guide covers the establishment of a quality assurance (QA) program for analytical chemistry laboratories within the nuclear industry. Reference to key elements of ANSI/ISO/ASQC Q9001, Quality Systems, provides guidance to the functional aspects of analytical laboratory operation. When implemented as recommended, the practices presented in this guide will provide a comprehensive QA program for the laboratory. The practices are grouped by functions, which constitute the basic elements of a laboratory QA program. 1.2 The essential, basic elements of a laboratory QA program appear in the following order: Section Organization 5 Quality Assurance Program 6 Training and Qualification 7 Procedures 8 Laboratory Records 9 Control of Records 10 Control of Procurement 11 Control of Measuring Equipment and Materials 12 Control of Measurements 13 Deficiencies and Corrective Actions 14

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.

Nuffield A-Level Chemistry: A Personal View

Science.gov (United States)

Bailey, Roy

1972-01-01

Maintains that there are topics of thermodynamics and organic chemistry in Nuffield A-level chemistry program which should be reviewed critically for their content organization. The Nuffield course is considered better than the traditional courses in its educational value, yet highly biased for preparing students for college chemistry courses. (PS)

Atmospheric chemistry of hydrofluorocarbons and hydrochlorofluorocarbons

Energy Technology Data Exchange (ETDEWEB)

Sehested, J

1995-03-01

Pulse radiolysis coupled with a time resolved UV absorption detection system and a FTIR spectrometer coupled to a 140 l reaction chamber was used to study the degradation of HCFCs and HFCs in the atmosphere. Reaction rates for a series of reactions of HFCs and HCFCs were investigated: F + RH, R + O{sub 2} + RO{sub 2} + NO, and RO{sub 2} + NO{sub 2} + M, together with UV absorption spectra of the halogenated alkyl (R) and halogenated alkyl peroxy radicals (RO{sub 2}). The products following the self reactions for RO{sub 2} radicals for RO{sub 2} = CF{sub 3}CF{sub 2}O{sub 2}, CF{sub 2}HCF{sub 2}O{sub 2}, CF{sub 3}CH{sub 2}O{sub 2}, CFH{sub 2}CFHO{sub 2}, CF{sub 3}O{sub 2}, and CF{sub 3}C(O)O{sub 2} were investigated by the FTIR setup. The results show that the self reaction of halogenated peroxy radicals give the alkoxy radical, RO, as product. The atmospheric fate of these radicals were C-C bond cleavage for CF{sub 3}CF{sub 2}O, CHF{sub 2}CF{sub 2}O, CFH{sub 2}CHFO, and CF{sub 3}C(O)O; while CF{sub 3}CH{sub 2}O radicals rect with O{sub 2} to give CF{sub 3}CHO and HO{sub 2}. the reaction between CFH{sub 2}O{sub 2} and HO{sub 2} was shown to give 29{+-}7 % CH{sub 2}FCOOH and 72{+-}11 % HCOF as the carbon containing products. (Abstract Truncated)

Atmospheric plasma processes for environmental applications

OpenAIRE

Shapoval, Volodymyr

2012-01-01

Plasma chemistry is a rapidly growing field which covers applications ranging from technological processing of materials, including biological tissues, to environmental remediation and energy production. The so called atmospheric plasma, produced by electric corona or dielectric barrier discharges in a gas at atmospheric pressure, is particularly attractive for the low costs and ease of operation and maintenance involved. The high concentrations of energetic and chemically active species (e.g...

The Professional Development of High School Chemistry Coordinators

Science.gov (United States)

Hofstein, Avi; Carmeli, Miriam; Shore, Relly

2004-02-01

The implementation of new content and pedagogical standards in science education necessitates intensive, long-term professional development of science teachers. In this paper, we describe the rationale and structure of a comprehensive and intensive professional development program of school-based leaders, namely school chemistry coordinators. The year-long program was designed so that the chemistry teachers who enrolled in the program were able to develop in three interrelated aspects: content knowledge, pedagogical content knowledge, and leadership ability. Several strategies for the development of these aspects were adopted from Loucks-Horsley, Hewson, Love, & Stiles (1998). The evaluation of the program focused on the changes that participating teachers underwent regarding their personal beliefs and their functioning as school chemistry coordinators in their schools.

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

Energy Technology Data Exchange (ETDEWEB)

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

1990-01-01

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

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.

Atmospheric environmental implications of propulsion systems

Science.gov (United States)

Mcdonald, Allan J.; Bennett, Robert R.

1995-01-01

Three independent studies have been conducted for assessing the impact of rocket launches on the earth's environment. These studies have addressed issues of acid rain in the troposphere, ozone depletion in the stratosphere, toxicity of chemical rocket exhaust products, and the potential impact on global warming from carbon dioxide emissions from rocket launches. Local, regional, and global impact assessments were examined and compared with both natural sources and anthropogenic sources of known atmospheric pollutants with the following conclusions: (1) Neither solid nor liquid rocket launches have a significant impact on the earth's global environment, and there is no real significant difference between the two. (2) Regional and local atmospheric impacts are more significant than global impacts, but quickly return to normal background conditions within a few hours after launch. And (3) vastly increased space launch activities equivalent to 50 U.S. Space Shuttles or 50 Russian Energia launches per year would not significantly impact these conclusions. However, these assessments, for the most part, are based upon homogeneous gas phase chemistry analysis; heterogeneous chemistry from exhaust particulates, such as aluminum oxide, ice contrails, soot, etc., and the influence of plume temperature and afterburning of fuel-rich exhaust products, need to be further addressed. It was the consensus of these studies that computer modeling of interactive plume chemistry with the atmosphere needs to be improved and computer models need to be verified with experimental data. Rocket exhaust plume chemistry can be modified with propellant reformulation and changes in operating conditions, but, based upon the current state of knowledge, it does not appear that significant environmental improvements from propellant formulation changes can be made or are warranted. Flight safety, reliability, and cost improvements are paramount for any new rocket system, and these important aspects

The Atmospheric Radiation Measurement Program and interfaces with external data sources

International Nuclear Information System (INIS)

Stokes, G.M.; Cress, T.S.; Melton, R.B.

1993-10-01

The Atmospheric Radiation Measurement (ARM) Program is the Department of Energy's major field project in support of its global change research program. Its objective is to improve the performance of cloud and radiation models and parameterizations in general circulation models (GCMs) used for climate research. The data produced by ARM will be handled and maintained to satisfy the research needs of the program and to be accessible and usable by the general research and academic communities. In addition to data from field instrumentation, ARM Science Team needs include a substantial amount of data from outside the ARM Program (''external data''), which will be acquired and provided routinely through the ARM data system. With respect to data archival and sharing, the ARM Program reflects the objectives delineated by the US Global Change. The purpose of this presentation is to summarize the conceptual designs embodied in the ARM data system and the status of its implementation

Atmospheric Physics Background – Methods – Trends

CERN Document Server

2012-01-01

On the occasion of the 50th anniversary of the Institute of Atmospheric Physics of the German Aerospace Center (DLR), this book presents more than 50 chapters highlighting results of the institute’s research. The book provides an up-to-date, in-depth survey across the entire field of atmospheric science, including atmospheric dynamics, radiation, cloud physics, chemistry, climate, numerical simulation, remote sensing, instruments and measurements, as well as atmospheric acoustics. The authors have provided a readily comprehensible and self-contained presentation of the complex field of atmospheric science. The topics are of direct relevance for aerospace science and technology. Future research challenges are identified.

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

International Nuclear Information System (INIS)

2002-01-01

The 10th 'Tihany' Symposium on Radiation Chemistry was held between August 31 and September 5, 2002, in Sopron, Hungary. An oral presentation section and two poster sections were organized, in every aspects of Radiation Chemistry and Radiochemistry. All presentation have been processed in abstracts form in the INIS database. (R.P.)

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

Energy Technology Data Exchange (ETDEWEB)

NONE

2002-07-01

The 10th 'Tihany' Symposium on Radiation Chemistry was held between August 31 and September 5, 2002, in Sopron, Hungary. An oral presentation section and two poster sections were organized, in every aspects of Radiation Chemistry and Radiochemistry. All presentation have been processed in abstracts form in the INIS database. (R.P.)

Scientific conference on inorganic chemistry and radiochemistry devoted to centenary from birthday of academician V.I. Spitsyn. Program of conference and summary of reports

International Nuclear Information System (INIS)

2002-01-01

Program and summaries of reports of the Scientific conference on inorganic chemistry and radiochemistry devoted to the centenary from the birthday of academician V.I. Spitsyn are presented. The conference took place at the Chemical department of the Moscow State University named for M.V. Lomonosov 17 - 18 April, 2002. Part of the reports was devoted to the work of academician V.I. Spitsyn, his investigations into radiochemistry and radiation chemistry. Scientific explorations in the fields of solid chemistry, inorganic and coordination chemistry, radiochemistry and chemical technology are discussed [ru

Chemical effects in 11-year solar cycle simulations with the Freie Universität Berlin Climate Middle Atmosphere Model with online chemistry (FUB-CMAM-CHEM)

OpenAIRE

U. Langematz; J. Grenfell; K. Matthes; P. Mieth; M. Kunze; B. Steil; C. Brühl;  

2005-01-01

The impact of 11-year solar cycle variations on stratospheric ozone (O3) is studied with the Freie Universität Berlin Climate Middle Atmosphere Model with interactive chemistry (FUB-CMAM-CHEM). To consider the effect of variations in charged particle precipitation we included an idealized NO x source in the upper mesosphere representing relativistic electron precipitation (REP). Our results suggest that the NO x source by particles and its transport from the mesosphere to the stratosphe...

Assessing the impact of atmospheric chemistry on the fate, transport, and transformation of adulticides in an urban atmosphere

Science.gov (United States)

Guberman, S.; Yoon, S.; Guagenti, M. C.; Sheesley, R. J.; Usenko, S.

2017-12-01

Urban areas are literal hot spots of mosquito-borne disease transmission and air pollution during the summer months. Public health authorities release aerosolized adulticides to target adult mosquitoes directly in to the atmosphere to control mosquito populations and reduce the threat of diseases (e.g. Zika). Permethrin and malathion are the primary adulticides for controlling adult mosquito populations in Houston, TX and are typically sprayed at night. After being released into the atmosphere adulticides are subject to atmospheric oxidation initiated by atmospheric oxidants (e.g. O3 and NO3) which are driven by anthropogenic air pollutants (e.g. NOx; NO and NO2). Particulate matter (PM) samples were measured at both application and downwind locations. Sampling sites were determined using the combination of atmospheric plume transport models and adulticide application data provided by Harris County Public Health Mosquito Division. Atmospheric PM samples were taken using a Mobile Laboratory, equipped with total suspended PM and PM2.5 (PM with diameter Interestingly, during malathion-use periods, atmospheric malaoxon concentrations measured in the PM2.5 samples were similar to corresponding TSP samples. This suggests that the majority of the malathion (and malaoxon) was associated with fine PM. During permethrin-use periods, atmospheric permethrin concentrations measured in the PM2.5 samples were an order and half lower in magnitude. This suggests that permethrin may be undergoing less volatilization into the gas phase after application as compared to malathion (and or malaoxon). Unlike permethrin, malathion was not sprayed with a carrier or a synergistic compound. As a result, malathion may be more prone to volatilization. The atmospheric oxidation and migration to fine PM may result in decreased efficacy and increase atmospheric transport, both of which have environmental and human health consequences.

Computational chemistry

Science.gov (United States)

Arnold, J. O.

1987-01-01

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

Analyzing atmospheric kinetic pathways using PumpKin

Science.gov (United States)

Markosyan, A. H.; Luque, A.; Gordillo-Vázquez, F. J.; Ebert, U.

2013-09-01

In the present work we show the application of our software tool called PumpKin (pathway reduction method for plasma kinetic models) to find all principal pathways of atmospheric kinetic system, i.e. the dominant reaction sequences, in chemical reaction systems. The goal was to reduce a complex plasma chemistry model. Recent kinetic models of atmospheric chemistry, or any industrial application, contain thousands of chemical reactions and species. The main difficulty is that these reduced chemical pathways depend on timescales, electric field, temperature, pressure etc. PumpKin is a universal tool, which only requires from user the temporal profile of the densities of species and the reaction rates, as well the stoichiometric matrix of the system. Also, the user should specify the timescale of interest.

HARNESSING THE CHEMISTRY OF CO2

Energy Technology Data Exchange (ETDEWEB)

Louie, Janis

2010-05-11

Our research program is broadly focused on activating CO{sub 2} through the use of organic and organometallic based catalysts. Some of our methods have centered on annulation reactions of unsaturated hydrocarbons (and carbonyl substrates) to provide a diverse array of carbocycles and heterocycles. We use a combination of catalyst discovery and optimization in conjunction with classical physical organic chemistry to elucidate the key mechanistic features of the cycloaddition reactions such that the next big advances in catalyst development can be made. Key to all of our cycloaddition reactions is the use of a sterically hindered, electron donating N heterocyclic carbene (NHC) ligand, namely IPr (or SIPr), in conjunction with a low valent nickel pre-catalyst. The efficacy of this ligand is two-fold: (1) the high {delta}-donating ability of the NHC increases the nucleophilicity of the metal center which thereby facilitates interaction with the electrophilic carbonyl and (2) the steric hindrance prevents an otherwise competitive side reaction involving only the alkyne substrate. Such a system has allowed for the facile cycloaddition to prepare highly functionalized pyrones, pyridones, pyrans, as well as novel carbocycles. Importantly, all reactions proceed under extremely mild conditions (room temperature, atmospheric pressures, and short reaction times), require only catalytic amounts of Ni/NHC and readily available starting materials, and afford annulated products in excellent yields. Our current focus revolves around understanding the fundamental processes that govern these cycloadditions such that the next big advance in the cyclization chemistry of CO{sub 2} can be made. Concurrent to our annulation chemistry is our investigation of the potential for imidazolylidenes to function as thermally-actuated CO{sub 2} sequestering and delivery agents.

Trends in lake chemistry in response to atmospheric deposition and climate in selected Class I wilderness areas in Colorado, Idaho, Utah, and Wyoming, 1993-2009

Science.gov (United States)

Mast, M. Alisa; Ingersoll, George P.

2011-01-01

In 2010, the U.S. Geological Survey, in cooperation with the U.S. Department of Agriculture Forest Service, Air Resource Management, began a study to evaluate long-term trends in lake-water chemistry for 64 high-elevation lakes in selected Class I wilderness areas in Colorado, Idaho, Utah, and Wyoming during 1993 to 2009. The purpose of this report is to describe trends in the chemical composition of these high-elevation lakes. Trends in emissions, atmospheric deposition, and climate variables (air temperature and precipitation amount) are evaluated over a similar period of record to determine likely drivers of changing lake chemistry. Sulfate concentrations in precipitation decreased over the past two decades at high-elevation monitoring stations in the Rocky Mountain region. The trend in deposition chemistry is consistent with regional declines in sulfur dioxide emissions resulting from installation of emission controls at large stationary sources. Trends in nitrogen deposition were not as widespread as those for sulfate. About one-half of monitoring stations showed increases in ammonium concentrations, but few showed significant changes in nitrate concentrations. Trends in nitrogen deposition appear to be inconsistent with available emission inventories, which indicate modest declines in nitrogen emissions in the Rocky Mountain region since the mid-1990s. This discrepancy may reflect uncertainties in emission inventories or changes in atmospheric transformations of nitrogen species that may be affecting deposition processes. Analysis of long-term climate records indicates that average annual mean air temperature minimums have increased from 0.57 to 0.75 °C per decade in mountain areas of the region with warming trends being more pronounced in Colorado. Trends in annual precipitation were not evident over the period 1990 to 2006, although wetter than average years during 1995 to 1997 and drier years during 2001 to 2004 caused a notable decline in precipitation

Laboratory Investigations of Stratospheric Halogen Chemistry

Science.gov (United States)

Wine, Paul H.; Nicovich, J. Michael; Stickel, Robert E.; Hynes, Anthony J.

1997-01-01

A final report for the NASA-supported project on laboratory investigations of stratospheric halogen chemistry is presented. In recent years, this project has focused on three areas of research: (1) kinetic, mechanistic, and thermochemical studies of reactions which produce weakly bound chemical species of atmospheric interest; (2) development of flash photolysis schemes for studying radical-radical reactions of stratospheric interest; and (3) photochemistry studies of interest for understanding stratospheric chemistry. The first section of this paper contains a discussion of work which has not yet been published. All subsequent chapters contain reprints of published papers that acknowledge support from this grant.

High Energy Radical Chemistry Formation of HCN- rich Atmospheres on early Earth

Czech Academy of Sciences Publication Activity Database

Ferus, Martin; Kubelík, Petr; Knížek, Antonín; Pastorek, Adam; Sutherland, J.D.; Civiš, Svatopluk

2017-01-01

Roč. 7, č. 1 (2017), č. článku 6275. ISSN 2045-2322 R&D Projects: GA ČR GA17-05076S; GA MŠk(CZ) LM2015083; GA MŠk LG15013 Grant - others:Akademie věd - GA AV ČR(CZ) R200401521 Institutional support: RVO:61388955 Keywords : high-power laser * transform emission-spectroscopy * induced dielectric-breakdown * prebiotic organic-synthesis * nucleobase formation Subject RIV: CF - Physical ; Theoretical Chemistry OBOR OECD: Physical chemistry Impact factor: 4.259, year: 2016

NCAW feed chemistry: Effect of starting chemistry on melter offgas and iron redox

International Nuclear Information System (INIS)

Smith, P.A.; Vienna, J.D.; Merz, M.D.

1995-03-01

The Pacific Northwest Laboratory (PNL) Vitrification Technology Development (PVTD) program has been established to develop technology to support immobilization of selected Hanford wastes. The effort of the PVTD program is directed by the U.S. Department of Energy (DOE). This report is part of the effort and focuses on the effect of starting waste chemistry on the vitrification process. The objective of the investigation was the evaluation of the effect of starting chemistry on the cold cap behavior in the vitrification of simulated neutralized current acid waste (NCAW). In addition this investigation provides an initial laboratory investigation of the cold cap and method for evaluation of alternate reductants

Comparison of French and German NPP water chemistry programs

International Nuclear Information System (INIS)

Staudt, U.; Odar, S.; Stutzmann, A.

2002-01-01

PWRs in the western hemisphere obey basically the same rules concerning design, choice of material and operational mode. In spite of these basic similarities, the manufacturers of PWRs in different countries developed different solutions in respect to single components in the steam/water cycle. Looking specifically at France and Germany, the difference in the tubing material of the steam generators (Inconel 600/690 chosen by Framatome and Incoloy 800 chosen by the former Siemens KWU) led to specific differences in the respective chemistry programs and in some respect to different 'philosophies' in operating the water/steam cycle. Compared to this, basic differences in operating the reactor coolant system cannot be observed. Nevertheless specific solutions as zinc injection and the use of enriched B-10 are applied in German PWRs. The application of such measures arises from a specific dose rate situation in older PWRs (zinc injection) or from economic reasons mainly (B-10). (authors)

Comparison of French and German NPP water chemistry programs

Energy Technology Data Exchange (ETDEWEB)

Staudt, U. [VGB Powertech (Germany); Odar, S. [Framatome ANP GmbH (Germany); Stutzmann, A. [EDF/GDL (France)

2002-07-01

PWRs in the western hemisphere obey basically the same rules concerning design, choice of material and operational mode. In spite of these basic similarities, the manufacturers of PWRs in different countries developed different solutions in respect to single components in the steam/water cycle. Looking specifically at France and Germany, the difference in the tubing material of the steam generators (Inconel 600/690 chosen by Framatome and Incoloy 800 chosen by the former Siemens KWU) led to specific differences in the respective chemistry programs and in some respect to different 'philosophies' in operating the water/steam cycle. Compared to this, basic differences in operating the reactor coolant system cannot be observed. Nevertheless specific solutions as zinc injection and the use of enriched B-10 are applied in German PWRs. The application of such measures arises from a specific dose rate situation in older PWRs (zinc injection) or from economic reasons mainly (B-10). (authors)

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)

Teacher's Guide to SERAPHIM Software V. Chemistry: The Central Science.

Science.gov (United States)

Bogner, Donna J.

Designed to assist chemistry teachers in selecting appropriate software programs, this publication is the fifth in a series of six teacher's guides from Project SERAPHIM, a program sponsored by the National Science Foundation. This guide is keyed to the chapters of the text "Chemistry: The Central Science." Program suggestions are…

Conflicts in Chemistry: The Case of Plastics, a Role-Playing Game for High School Chemistry Students

Science.gov (United States)

Cook, Deborah H.

2014-01-01

Conflicts in Chemistry: The Case of Plastics, an innovative role-playing activity for high school students, was developed by the Chemical Heritage Foundation to promote increased public understanding of chemistry. The pilot program included three high school teachers and their students at three different schools and documented implementation and…

Organic Chemistry in Action! Developing an Intervention Program for Introductory Organic Chemistry to Improve Learners' Understanding, Interest, and Attitudes

Science.gov (United States)

O'Dwyer, Anne; Childs, Peter

2014-01-01

The main areas of difficulty experienced by those teaching and learning organic chemistry at high school and introductory university level in Ireland have been identified, and the findings support previous studies in Ireland and globally. Using these findings and insights from chemistry education research (CER), the Organic Chemistry in Action!…

Analytical Chemistry Laboratory: Progress report for FY 1988

International Nuclear Information System (INIS)

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

1988-12-01

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

Analytical Chemistry Laboratory progress report for FY 1989

International Nuclear Information System (INIS)

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

1989-12-01

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

Analytical Chemistry Laboratory: Progress report for FY 1988

Energy Technology Data Exchange (ETDEWEB)

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

1988-12-01

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

Self-consistent atmosphere modeling with cloud formation for low-mass stars and exoplanets

Science.gov (United States)

Juncher, Diana; Jørgensen, Uffe G.; Helling, Christiane

2017-12-01

Context. Low-mass stars and extrasolar planets have ultra-cool atmospheres where a rich chemistry occurs and clouds form. The increasing amount of spectroscopic observations for extrasolar planets requires self-consistent model atmosphere simulations to consistently include the formation processes that determine cloud formation and their feedback onto the atmosphere. Aims: Our aim is to complement the MARCS model atmosphere suit with simulations applicable to low-mass stars and exoplanets in preparation of E-ELT, JWST, PLATO and other upcoming facilities. Methods: The MARCS code calculates stellar atmosphere models, providing self-consistent solutions of the radiative transfer and the atmospheric structure and chemistry. We combine MARCS with a kinetic model that describes cloud formation in ultra-cool atmospheres (seed formation, growth/evaporation, gravitational settling, convective mixing, element depletion). Results: We present a small grid of self-consistently calculated atmosphere models for Teff = 2000-3000 K with solar initial abundances and log (g) = 4.5. Cloud formation in stellar and sub-stellar atmospheres appears for Teff day-night energy transport and no temperature inversion.

Radiation chemistry and the environment

International Nuclear Information System (INIS)

Getoff, F.

1998-01-01

The rather strong and many-sided pollution of the environment (atmosphere, water resources, soil) as a consequence of human activities is summarized. The solution of the arised problems by application of radiation chemistry methods and the utilization of modern environmentally ''clean'' and economical technologies, founded on electron beam processing, are mentioned. Some basic environmental problems and their solution are briefly discussed: i) Removal of CO 2 from flue gases and its radiation induced utilization. ii) Principals for degradation of aqueous pollutants by electron beam processing in the presence of ozone (synergistic effect). The radiation chemistry as a modern and manifold discipline with very broad applications can also essentially contribute in the conservation of the environment

Radiation chemistry and the environment

International Nuclear Information System (INIS)

Getoff, Nikola

1999-01-01

The rather strong and many-sided pollution of the environment (atmosphere, water resources, soil) as a consequence of human activity is summarized. The solution of the arised problems by application of radiation chemistry methods and the utilization of modern environmentally 'clean' and economical technologies, founded on electron beam processing, are mentioned. Some basic environmental problems and their solution are briefly discussed. (i) Removal of CO 2 from flue gases and its radiation induced utilization. (ii) Principals for degradation of aqueous pollutants by electron beam processing in the presence of ozone (synergistic effect). The radiation chemistry as a modern and manifold discipline with very broad applications can also essentially contribute in the conservation of the environment

Southeast Atmosphere Studies: learning from model-observation syntheses

Directory of Open Access Journals (Sweden)

J. Mao

2018-02-01

Full Text Available Concentrations of atmospheric trace species in the United States have changed dramatically over the past several decades in response to pollution control strategies, shifts in domestic energy policy and economics, and economic development (and resulting emission changes elsewhere in the world. Reliable projections of the future atmosphere require models to not only accurately describe current atmospheric concentrations, but to do so by representing chemical, physical and biological processes with conceptual and quantitative fidelity. Only through incorporation of the processes controlling emissions and chemical mechanisms that represent the key transformations among reactive molecules can models reliably project the impacts of future policy, energy and climate scenarios. Efforts to properly identify and implement the fundamental and controlling mechanisms in atmospheric models benefit from intensive observation periods, during which collocated measurements of diverse, speciated chemicals in both the gas and condensed phases are obtained. The Southeast Atmosphere Studies (SAS, including SENEX, SOAS, NOMADSS and SEAC4RS conducted during the summer of 2013 provided an unprecedented opportunity for the atmospheric modeling community to come together to evaluate, diagnose and improve the representation of fundamental climate and air quality processes in models of varying temporal and spatial scales.This paper is aimed at discussing progress in evaluating, diagnosing and improving air quality and climate modeling using comparisons to SAS observations as a guide to thinking about improvements to mechanisms and parameterizations in models. The effort focused primarily on model representation of fundamental atmospheric processes that are essential to the formation of ozone, secondary organic aerosol (SOA and other trace species in the troposphere, with the ultimate goal of understanding the radiative impacts of these species in the southeast and

Southeast Atmosphere Studies: learning from model-observation syntheses

Science.gov (United States)

Mao, Jingqiu; Carlton, Annmarie; Cohen, Ronald C.; Brune, William H.; Brown, Steven S.; Wolfe, Glenn M.; Jimenez, Jose L.; Pye, Havala O. T.; Ng, Nga Lee; Xu, Lu; McNeill, V. Faye; Tsigaridis, Kostas; McDonald, Brian C.; Warneke, Carsten; Guenther, Alex; Alvarado, Matthew J.; de Gouw, Joost; Mickley, Loretta J.; Leibensperger, Eric M.; Mathur, Rohit; Nolte, Christopher G.; Portmann, Robert W.; Unger, Nadine; Tosca, Mika; Horowitz, Larry W.

2018-02-01

Concentrations of atmospheric trace species in the United States have changed dramatically over the past several decades in response to pollution control strategies, shifts in domestic energy policy and economics, and economic development (and resulting emission changes) elsewhere in the world. Reliable projections of the future atmosphere require models to not only accurately describe current atmospheric concentrations, but to do so by representing chemical, physical and biological processes with conceptual and quantitative fidelity. Only through incorporation of the processes controlling emissions and chemical mechanisms that represent the key transformations among reactive molecules can models reliably project the impacts of future policy, energy and climate scenarios. Efforts to properly identify and implement the fundamental and controlling mechanisms in atmospheric models benefit from intensive observation periods, during which collocated measurements of diverse, speciated chemicals in both the gas and condensed phases are obtained. The Southeast Atmosphere Studies (SAS, including SENEX, SOAS, NOMADSS and SEAC4RS) conducted during the summer of 2013 provided an unprecedented opportunity for the atmospheric modeling community to come together to evaluate, diagnose and improve the representation of fundamental climate and air quality processes in models of varying temporal and spatial scales.This paper is aimed at discussing progress in evaluating, diagnosing and improving air quality and climate modeling using comparisons to SAS observations as a guide to thinking about improvements to mechanisms and parameterizations in models. The effort focused primarily on model representation of fundamental atmospheric processes that are essential to the formation of ozone, secondary organic aerosol (SOA) and other trace species in the troposphere, with the ultimate goal of understanding the radiative impacts of these species in the southeast and elsewhere. Here we

Impact of RACM2, halogen chemistry, and updated ozone deposition velocity onhemispheric ozone predictions

Science.gov (United States)

We incorporate the Regional Atmospheric Chemistry Mechanism (RACM2) into the Community Multiscale Air Quality (CMAQ) hemispheric model and compare model predictions to those obtained using the existing Carbon Bond chemical mechanism with the updated toluene chemistry (CB05TU). Th...

Water physics and chemistry data from bottle casts from the GERDA as part of the Rosenstiel School of Marine and Atmospheric Science (RSMAS) project from 20 July 1955 to 29 May 1957 (NODC Accession 7000057)

Data.gov (United States)

National Oceanic and Atmospheric Administration, Department of Commerce — Water physics and chemistry data were collected from bottle casts from the GERDA from 20 July 1955 to 29 May 1957. Data were collected as part of the Rosenstiel...

Towards a converged barrier height for the entrance channel transition state of the N( 2D) + CH 4 reaction and its implication for the chemistry in Titan's atmosphere

Science.gov (United States)

Ouk, Chanda-Malis; Zvereva-Loëte, Natalia; Bussery-Honvault, Béatrice

2011-10-01

The N( 2D) + CH 4 reaction appears to be a key reaction for the chemistry of Titan's atmosphere, opening the door to nitrile formation as recently observed by the Cassini-Huygens mission. Faced to the controversy concerning the existence or not of a potential barrier for this reaction, we have carried out accurate ab initio calculations by means of multi-state multi-reference configuration interaction (MS-MR-SDCI) method. These calculations have been partially corrected for the size-consistency errors (SCE) by Davidson, Pople or AQCC corrections. We suggest a barrier height of 3.86 ± 0.84 kJ/mol, including ZPE, for the entrance transition state, in good agreement with the experimental value. Its implication in Titan's atmopsheric chemistry is discussed.

Improvements to the Characterization of Organic Nitrogen Chemistry

Science.gov (United States)

Excess atmospheric nitrogen deposition can cause significant harmful effects to ecosystems. Organic nitrogen deposition can be an important contributor to the total nitrogen budget, contributing 10-30%, however there are large uncertainties in the chemistry and deposition of thes...

A synthesis of atmospheric mercury depletion event chemistry in the atmosphere and snow

Directory of Open Access Journals (Sweden)

A. J. Poulain

2008-03-01

Full Text Available It was discovered in 1995 that, during the spring time, unexpectedly low concentrations of gaseous elemental mercury (GEM occurred in the Arctic air. This was surprising for a pollutant known to have a long residence time in the atmosphere; however conditions appeared to exist in the Arctic that promoted this depletion of mercury (Hg. This phenomenon is termed atmospheric mercury depletion events (AMDEs and its discovery has revolutionized our understanding of the cycling of Hg in Polar Regions while stimulating a significant amount of research to understand its impact to this fragile ecosystem. Shortly after the discovery was made in Canada, AMDEs were confirmed to occur throughout the Arctic, sub-Artic and Antarctic coasts. It is now known that, through a series of photochemically initiated reactions involving halogens, GEM is converted to a more reactive species and is subsequently associated to particles in the air and/or deposited to the polar environment. AMDEs are a means by which Hg is transferred from the atmosphere to the environment that was previously unknown. In this article we review Hg research taken place in Polar Regions pertaining to AMDEs, the methods used to collect Hg in different environmental media, research results of the current understanding of AMDEs from field, laboratory and modeling work, how Hg cycles around the environment after AMDEs, gaps in our current knowledge and the future impacts that AMDEs may have on polar environments. The research presented has shown that while considerable improvements in methodology to measure Hg have been made but the main limitation remains knowing the speciation of Hg in the various media. The processes that drive AMDEs and how they occur are discussed. As well, the role that the snow pack and the sea ice play in the cycling of Hg is presented. It has been found that deposition of Hg from AMDEs occurs at marine coasts and not far inland and that a fraction of the deposited Hg does

Atmospheric evolution on inhabited and lifeless worlds

CERN Document Server

Catling, David C

2017-01-01

As the search for Earth-like exoplanets gathers pace, in order to understand them, we need comprehensive theories for how planetary atmospheres form and evolve. Written by two well-known planetary scientists, this text explains the physical and chemical principles of atmospheric evolution and planetary atmospheres, in the context of how atmospheric composition and climate determine a planet's habitability. The authors survey our current understanding of the atmospheric evolution and climate on Earth, on other rocky planets within our Solar System, and on planets far beyond. Incorporating a rigorous mathematical treatment, they cover the concepts and equations governing a range of topics, including atmospheric chemistry, thermodynamics, radiative transfer, and atmospheric dynamics, and provide an integrated view of planetary atmospheres and their evolution. This interdisciplinary text is an invaluable one-stop resource for graduate-level students and researchers working across the fields of atmospheric science...

PWR secondary water chemistry guidelines

International Nuclear Information System (INIS)

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

1982-10-01

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

Seasonal Variation of Atmospheric Composition of Water-Soluble ...

African Journals Online (AJOL)

`123456789jkl''''#

Background Site in Tanzania, East Africa. 1Mkoma S.L. ... fine, coarse and PM10 mass were, 17±4, 52±27 and 69±29 µg/m3 during the 2005 dry season campaign and. 13±5, 34±23 ... particles in ambient air, atmospheric particulate ... especially the fine particle fraction with ..... Atmospheric Chemistry and Physics: From Air.

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 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)

Dynamics and Chemistry in Jovian Atmospheres: 2D Hydrodynamical Simulations

Science.gov (United States)

Bordwell, B. R.; Brown, B. P.; Oishi, J.

2016-12-01

A key component of our understanding of the formation and evolution of planetary systems is chemical composition. Problematically, however, in the atmospheres of cooler gas giants, dynamics on the same timescale as chemical reactions pull molecular abundances out of thermochemical equilibrium. These disequilibrium abundances are treated using what is known as the "quench" approximation, based upon the mixing length theory of convection. The validity of this approximation is questionable, though, as the atmospheres of gas giants encompass two distinct dynamic regimes: convective and radiative. To resolve this issue, we conduct 2D hydrodynamical simulations using the state-of-the-art pseudospectral simulation framework Dedalus. In these simulations, we solve the fully compressible equations of fluid motion in a local slab geometry that mimics the structure of a planetary atmosphere (convective zone underlying a radiative zone). Through the inclusion of passive tracers, we explore the transport properties of both regimes, and assess the validity of the classical eddy diffusion parameterization. With the addition of active tracers, we examine the interactions between dynamical and chemical processes, and generate prescriptions for the observational community. By providing insight into mixing and feedback mechanisms in Jovian atmospheres, this research lays a solid foundation for future global simulations and the construction of physically-sound models for current and future observations.

Analytical Chemistry Laboratory progress report for FY 1991

Energy Technology Data Exchange (ETDEWEB)

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

1991-12-01

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

The use of EOS for studies of atmospheric physics

Energy Technology Data Exchange (ETDEWEB)

Gille, J G; Visconti, G [eds.

1992-01-01

Attention is paid to the atmosphere and how the understanding of its behavior could be facilitated by the observations and modeling of these interacting processes planned within the framework of the EOS (Earth Observing System) program. The Enrico Fermi School on which the book is based, was organized in such a way that general introductory lectures were followed by reviews of the planned EOS instruments and observational strategy to study specific components and processes in the earth atmosphere system. The contents are divided into four parts. Part 1 is an overview of the EOS concept and provides a general introduction to earth system science. Part 2 deals with the troposphere and includes a comprehensive introduction to the problems of tropospheric chemistry. The more traditional view of the troposphere as the stage for dynamics and meteorology is also dealt with. The climate system is discussed in detail in part 3, and includes the most important advances made in recent years in understanding some of these processes which have come from satellite observations. The final part deals with the middle atmosphere. The interest in ozone has made this region of the atmosphere the most closely studied in the last few years, in an attempt to establish how much of the changes in its composition may be attributable to natural variability and how much to anthropogenic influence

Sterilization and decontamination of surfaces using atmospheric pressure plasma discharges

Energy Technology Data Exchange (ETDEWEB)

Garate, E.; Gornostaeva, O.; Alexeff, I.; Kang, W.L.

1999-07-01

The goal of the program is to demonstrate that an atmospheric pressure plasma discharge can rapidly and effectively sterilize or decontaminate surfaces that are contaminated with model biological and chemical warfare agents. The plasma is produced by corona discharge from an array of pins and a ground plane. The array is constructed so that various gases, like argon or helium, can be flowed past the pins where the discharge is initiated. The pin array can be biased using either DC. AC or pulsed discharges. the work done to date has focused on the sterilization of aluminum, polished steel and tantalum foil metal coupons, about 2 cm on a side and 2 mm thick, which have been inoculated with up to 10{sup 6} spores per coupon of Bacillus subtilis var niger or Bascillus stearothermorphilus. Results indicate that 5 minute exposures to the atmospheric pressure plasma discharge can reduce the viable spore count by 4 orders of magnitude. The atmospheric pressure discharge is also effective in decomposing organic phosphate compounds that are stimulants for chemical warfare agents. Details of the decomposition chemistry, by-product formation, and electrical energy consumption of the system will be discussed.

Environmental assessment for the Atmospheric Radiation Measurement (ARM) Program: Southern Great Plains Cloud and Radiation Testbed (CART) site

International Nuclear Information System (INIS)

Policastro, A.J.; Pfingston, J.M.; Maloney, D.M.; Wasmer, F.; Pentecost, E.D.

1992-03-01

The Atmospheric Radiation Measurement (ARM) Program is aimed at supplying improved predictive capability of climate change, particularly the prediction of cloud-climate feedback. The objective will be achieved by measuring the atmospheric radiation and physical and meteorological quantities that control solar radiation in the earth's atmosphere and using this information to test global climate and related models. The proposed action is to construct and operate a Cloud and Radiation Testbed (CART) research site in the southern Great Plains as part of the Department of Energy's Atmospheric Radiation Measurement Program whose objective is to develop an improved predictive capability of global climate change. The purpose of this CART research site in southern Kansas and northern Oklahoma would be to collect meteorological and other scientific information to better characterize the processes controlling radiation transfer on a global scale. Impacts which could result from this facility are described

Environmental assessment for the Atmospheric Radiation Measurement (ARM) Program: Southern Great Plains Cloud and Radiation Testbed (CART) site

Energy Technology Data Exchange (ETDEWEB)

Policastro, A.J.; Pfingston, J.M.; Maloney, D.M.; Wasmer, F.; Pentecost, E.D.

1992-03-01

The Atmospheric Radiation Measurement (ARM) Program is aimed at supplying improved predictive capability of climate change, particularly the prediction of cloud-climate feedback. The objective will be achieved by measuring the atmospheric radiation and physical and meteorological quantities that control solar radiation in the earth`s atmosphere and using this information to test global climate and related models. The proposed action is to construct and operate a Cloud and Radiation Testbed (CART) research site in the southern Great Plains as part of the Department of Energy`s Atmospheric Radiation Measurement Program whose objective is to develop an improved predictive capability of global climate change. The purpose of this CART research site in southern Kansas and northern Oklahoma would be to collect meteorological and other scientific information to better characterize the processes controlling radiation transfer on a global scale. Impacts which could result from this facility are described.

PWR secondary water chemistry study

International Nuclear Information System (INIS)

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

1977-02-01

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

Data systems for science integration within the Atmospheric Radiation Measurement Program

Energy Technology Data Exchange (ETDEWEB)

Gracio, D.K.; Hatfield, L.D.; Yates, K.R.; Voyles, J.W. [Pacific Northwest Lab., Richland, WA (United States); Tichler, J.L. [Brookhaven National Lab., Upton, NY (United States); Cederwall, R.T.; Laufersweiler, M.J.; Leach, M.J. [Lawrence Livermore National Lab., CA (United States); Singley, P. [Oak Ridge National Lab., TN (United States)

1995-12-31

The Atmospheric Radiation Measurement (ARM) Program was developed by the US Department of Energy to support the goals and mission of the US Global Change Research Program. The purpose of the ARM program is to improve the predictive capabilities of General Circulation Models (GCMs) in their treatment of clouds and radiative transfer effects. Three experimental testbeds were designed for the deployment of instruments to collect atmospheric data used to drive the GCMs. Each site, known as a Cloud and Radiation Testbed (CART), consists of a highly available, redundant data system for the collection of data from a variety of instrumentation. The first CART site was deployed in April 1992 in the Southern Great Plains (SGP), Lamont, Oklahoma, with the other two sites to follow in early 1996 in the Tropical Western Pacific (TWP) and in 1997 on the North Slope of Alaska (NSA). Approximately 1.5 GB of data are transferred per day via the Internet from the CART sites, and external data sources to the ARM Experiment Center (EC) at Pacific Northwest Laboratory in Richland, Washington. The Experimental Center is central to the ARM data path and provides for the collection, processing, analysis and delivery of ARM data. Data from the CART sites from a variety of instrumentation, observational systems and from external data sources are transferred to the Experiment Center. The EC processes these data streams on a continuous basis to provide derived data products to the ARM Science Team in near real-time while maintaining a three-month running archive of data.