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Sample records for chemistry experiment modeling

  1. Guided-Inquiry Experiments for Physical Chemistry: The POGIL-PCL Model

    Science.gov (United States)

    Hunnicutt, Sally S.; Grushow, Alexander; Whitnell, Robert

    2015-01-01

    The POGIL-PCL project implements the principles of process-oriented, guided-inquiry learning (POGIL) in order to improve student learning in the physical chemistry laboratory (PCL) course. The inquiry-based physical chemistry experiments being developed emphasize modeling of chemical phenomena. In each experiment, students work through at least…

  2. Looking beyond Lewis Structures: A General Chemistry Molecular Modeling Experiment Focusing on Physical Properties and Geometry

    Science.gov (United States)

    Linenberger, Kimberly J.; Cole, Renee S.; Sarkar, Somnath

    2011-01-01

    We present a guided-inquiry experiment using Spartan Student Version, ready to be adapted and implemented into a general chemistry laboratory course. The experiment provides students an experience with Spartan Molecular Modeling software while discovering the relationships between the structure and properties of molecules. Topics discussed within…

  3. Experiments in physical chemistry

    CERN Document Server

    Wilson, J M; Denaro, A R

    1968-01-01

    Experiments in Physical Chemistry, Second Edition provides a compilation of experiments concerning physical chemistry. This book illustrates the link between the theory and practice of physical chemistry. Organized into three parts, this edition begins with an overview of those experiments that generally have a simple theoretical background. Part II contains experiments that are associated with more advanced theory or more developed techniques, or which require a greater degree of experimental skill. Part III consists of experiments that are in the nature of investigations wherein these invest

  4. A new Geoengineering Model Intercomparison Project (GeoMIP experiment designed for climate and chemistry models

    Directory of Open Access Journals (Sweden)

    S. Tilmes

    2014-08-01

    Full Text Available A new Geoengineering Model Intercomparison Project (GeoMIP experiment "G4 specified stratospheric aerosols" (short name: G4SSA is proposed to investigate the impact of stratospheric aerosol geoengineering on atmospheric composition, climate, and the environment. In contrast to the earlier G4 GeoMIP experiment, which requires an emission of sulphur dioxide (SO2 into the model, a prescribed aerosol forcing file is provided to the community, to be consistently applied to future model experiments between 2020 and 2100. This stratospheric aerosol distribution, with a total burden of about 2 Tg S has been derived using the ECHAM5-HAM microphysical model, based on a continuous annual tropical emission of 8 Tg SO2 year−1. A ramp-up of geoengineering in 2020 and a ramp-down in 2070 over a period of two years are included in the distribution, while a background aerosol burden should be used for the last 3 decades of the experiment. The performance of this experiment using climate and chemistry models in a multi-model comparison framework will allow us to better understand the significance of the impact of geoengineering and the abrupt termination after 50 years on climate and composition of the atmosphere in a changing environment. The zonal and monthly mean stratospheric aerosol input dataset is available at https://www2.acd.ucar.edu/gcm/geomip-g4-specified-stratospheric-aerosol-data-set.

  5. Comprehensive mechanisms for combustion chemistry: Experiment, modeling, and sensitivity analysis

    Energy Technology Data Exchange (ETDEWEB)

    Dryer, F.L.; Yetter, R.A. [Princeton Univ., NJ (United States)

    1993-12-01

    This research program is an integrated experimental/numerical effort to study pyrolysis and oxidation reactions and mechanisms for small-molecule hydrocarbon structures under conditions representative of combustion environments. The experimental aspects of the work are conducted in large diameter flow reactors, at pressures from one to twenty atmospheres, temperatures from 550 K to 1200 K, and with observed reaction times from 10{sup {minus}2} to 5 seconds. Gas sampling of stable reactant, intermediate, and product species concentrations provides not only substantial definition of the phenomenology of reaction mechanisms, but a significantly constrained set of kinetic information with negligible diffusive coupling. Analytical techniques used for detecting hydrocarbons and carbon oxides include gas chromatography (GC), and gas infrared (NDIR) and FTIR methods are utilized for continuous on-line sample detection of light absorption measurements of OH have also been performed in an atmospheric pressure flow reactor (APFR), and a variable pressure flow (VPFR) reactor is presently being instrumented to perform optical measurements of radicals and highly reactive molecular intermediates. The numerical aspects of the work utilize zero and one-dimensional pre-mixed, detailed kinetic studies, including path, elemental gradient sensitivity, and feature sensitivity analyses. The program emphasizes the use of hierarchical mechanistic construction to understand and develop detailed kinetic mechanisms. Numerical studies are utilized for guiding experimental parameter selections, for interpreting observations, for extending the predictive range of mechanism constructs, and to study the effects of diffusive transport coupling on reaction behavior in flames. Modeling using well defined and validated mechanisms for the CO/H{sub 2}/oxidant systems.

  6. Design performances and chemistry program supporting the FA3 /UKEPRTM activity management: experience and modeling balance

    International Nuclear Information System (INIS)

    EPRTM reactor accounts with an evolutionary design that provides the appropriate features to ensure the safety implementation of different chemistry and radiochemistry options. ALARP considerations have been taken into account by EDF-AREVA for making decisions relating to the activity management in the primary circuit of Flamanville 3-EPRTM and UK-EPRTM reactors. The water chemistry and radiochemistry concept implemented in FA3-EPRTM and UK-EPRTM reactors is the result of an exhaustive selection process based on the balance between the theoretical developments, the laboratory tests and the NPP experience concerning the diverse areas associated with: - The source term identification and characterization: The understanding of the origin and behavior of fission products/actinides, corrosion products and activation products constitutes the essential support for the selection of suitable parameters and criteria to monitor the system integrity, the tramp-uranium and radiation build-up and the discharges to the environment. - The source term quantification: The balance between the baseline data from PWR forerunner reactors and the assessments performed by modeling constitutes the major demonstration of the source term accuracy. This approach ensures that activity risks are understood and can be managed with the EPRTM design options. - The EPRTM design options evaluation: The sensitivity analysis results show the influence of the fuel management, the material choice and the chemistry conditioning on several domains such as the activity coolant and the fuel/ex-core crud management. EDF-AREVA demonstrates by means of this process that the design, sizing and chemistry conditioning of EPRTM reactor primary circuit are adapted to guarantee the correct activity management. The methodology developed, based on qualitative and quantitative assessments, intends to propose to the Nuclear Industry several alternatives for evaluating and/or improving the compliance with requirements

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

    Science.gov (United States)

    Bousserez, N.; Attie, J. L.; Peuch, V. H.; Michou, M.; Pfister, G.; Edwards, D.; Emmons, L.; Arnold, S.; Heckel, A.; Richter, A.; Shlager, H.; Lewis A.; Avery, M.; Sachse, G.; Browell, E.; Ferrare, R.

    2007-01-01

    We evaluate the Meteo-France global chemistry transport 3D model MOCAGE (MOdele de Chimie Atmospherique a Grande Echelle) using the important set of aircraft measurements collected during the ICARRT/ITOP experiment. This experiment took place between US and Europe during summer 2004 (July 15-August 15). Four aircraft were involved in this experiment providing a wealth of chemical data in a large area including the North East of US and western Europe. The model outputs are compared to the following species of which concentration is measured by the aircraft: OH, H2O2, CO, NO, NO2, PAN, HNO3, isoprene, ethane, HCHO and O3. Moreover, to complete this evaluation at larger scale, we used also satellite data such as SCIAMACHY NO2 and MOPITT CO. Interestingly, the comprehensive dataset allowed us to evaluate separately the model representation of emissions, transport and chemical processes. Using a daily emission source of biomass burning, we obtain a very good agreement for CO while the evaluation of NO2 points out incertainties resulting from inaccurate ratio of emission factors of NOx/CO. Moreover, the chemical behavior of O3 is satisfactory as discussed in the paper.

  8. Experience with turbulence interaction and turbulence-chemistry models at Fluent Inc.

    Science.gov (United States)

    Choudhury, D.; Kim, S. E.; Tselepidakis, D. P.; Missaghi, M.

    1995-01-01

    This viewgraph presentation discusses (1) turbulence modeling: challenges in turbulence modeling, desirable attributes of turbulence models, turbulence models in FLUENT, and examples using FLUENT; and (2) combustion modeling: turbulence-chemistry interaction and FLUENT equilibrium model. As of now, three turbulence models are provided: the conventional k-epsilon model, the renormalization group model, and the Reynolds-stress model. The renormalization group k-epsilon model has broadened the range of applicability of two-equation turbulence models. The Reynolds-stress model has proved useful for strongly anisotropic flows such as those encountered in cyclones, swirlers, and combustors. Issues remain, such as near-wall closure, with all classes of models.

  9. Computational Modeling of the Optical Rotation of Amino Acids: An "in Silico" Experiment for Physical Chemistry

    Science.gov (United States)

    Simpson, Scott; Autschbach, Jochen; Zurek, Eva

    2013-01-01

    A computational experiment that investigates the optical activity of the amino acid valine has been developed for an upper-level undergraduate physical chemistry laboratory course. Hybrid density functional theory calculations were carried out for valine to confirm the rule that adding a strong acid to a solution of an amino acid in the l…

  10. porewater chemistry experiment at Mont Terri rock laboratory. Reactive transport modelling including bacterial activity

    International Nuclear Information System (INIS)

    Document available in extended abstract form only. An in-situ test in the Opalinus Clay formation, termed pore water Chemistry (PC) experiment, was run for a period of five years. It was based on the concept of diffusive equilibration whereby traced water with a composition close to that expected in the formation was continuously circulated and monitored in a packed off borehole. The main original focus was to obtain reliable data on the pH/pCO2 of the pore water, but because of unexpected microbially- induced redox reactions, the objective was then changed to elucidate the biogeochemical processes happening in the borehole and to understand their impact on pH/pCO2 and pH in the low permeability clay formation. The biologically perturbed chemical evolution of the PC experiment was simulated with reactive transport models. The aim of this modelling exercise was to develop a 'minimal-' model able to reproduce the chemical evolution of the PC experiment, i.e. the chemical evolution of solute inorganic and organic compounds (organic carbon, dissolved inorganic carbon etc...) that are coupled with each other through the simultaneous occurrence of biological transformation of solute or solid compounds, in-diffusion and out-diffusion of solute species and precipitation/dissolution of minerals (in the borehole and in the formation). An accurate description of the initial chemical conditions in the surrounding formation together with simplified kinetics rule mimicking the different phases of bacterial activities allowed reproducing the evolution of all main measured parameters (e.g. pH, TOC). Analyses from the overcoring and these simulations evidence the high buffer capacity of Opalinus clay regarding chemical perturbations due to bacterial activity. This pH buffering capacity is mainly attributed to the carbonate system as well as to the clay surfaces reactivity. Glycerol leaching from the pH-electrode might be the primary organic source responsible for

  11. Exploring Atmospheric Aqueous Chemistry (and Secondary Organic Aerosol Formation) through OH Radical Oxidation Experiments, Droplet Evaporation and Chemical Modeling

    Science.gov (United States)

    Turpin, B. J.; Kirkland, J. R.; Lim, Y. B.; Ortiz-Montalvo, D. L.; Sullivan, A.; Häkkinen, S.; Schwier, A. N.; Tan, Y.; McNeill, V. F.; Collett, J. L.; Skog, K.; Keutsch, F. N.; Sareen, N.; Carlton, A. G.; Decesari, S.; Facchini, C.

    2013-12-01

    Gas phase photochemistry fragments and oxidizes organic emissions, making water-soluble organics ubiquitous in the atmosphere. My group and others have found that several water-soluble compounds react further in the aqueous phase forming low volatility products under atmospherically-relevant conditions (i.e., in clouds, fogs and wet aerosols). Thus, secondary organic aerosol can form as a result of gas followed by aqueous chemistry (aqSOA). We have used aqueous OH radical oxidation experiments coupled with product analysis and chemical modeling to validate and refine the aqueous chemistry of glyoxal, methylglyoxal, glycolaldehyde, and acetic acid. The resulting chemical model has provided insights into the differences between oxidation chemistry in clouds and in wet aerosols. Further, we conducted droplet evaporation experiments to characterize the volatility of the products. Most recently, we have conducted aqueous OH radical oxidation experiments with ambient mixtures of water-soluble gases to identify additional atmospherically-important precursors and products. Specifically, we scrubbed water-soluble gases from the ambient air in the Po Valley, Italy using four mist chambers in parallel, operating at 25-30 L min-1. Aqueous OH radical oxidation experiments and control experiments were conducted with these mixtures (total organic carbon ≈ 100 μM-C). OH radicals (3.5E-2 μM [OH] s-1) were generated by photolyzing H2O2. Precursors and products were characterized using electrospray ionization mass spectrometry (ESI-MS), ion chromatography (IC), IC-ESI-MS, and ultra high resolution Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS). Chemical modeling suggests that organic acids (e.g., oxalate, pyruvate, glycolate) are major products of OH radical oxidation at cloud-relevant concentrations, whereas organic radical - radical reactions result in the formation of oligomers in wet aerosols. Products of cloud chemistry and droplet evaporation have

  12. The latest general chemistry experiment

    International Nuclear Information System (INIS)

    This book lists thirty-nine experiments, safety regulations in the laboratory and method of experiments. The contents of experiments are hut and bolt for chemistry, separation of mixture, molecular weight and vapor density, solubility and fractional crystallization, colloid, pH and an indicator, properties of acid-base, reaction speed, synthesizing of Nylon, synthesizing of aspirin, reaction of alcohol, a natural substance ; extraction of caffeine, extraction of solvent, chromatography, refining water and water analysis and periodicity of the periodic table of the elements.

  13. Metaphorical Models in Chemistry.

    Science.gov (United States)

    Rosenfeld, Stuart; Bhusan, Nalini

    1995-01-01

    What happens when students of chemistry fail to recognize the metaphorical status of certain models and interpret them literally? Suggests that such failures lead students to form perceptions of phenomena that can be misleading. Argues that the key to making good use of metaphorical models is a recognition of their metaphorical status. Examines…

  14. Sorption of Sulfonamide Antibiotics to Soil Organic Sorbents: Batch Experiments with Model Compounds and Computational Chemistry

    OpenAIRE

    Schwarz, J.; S. Thiele-Bruhn; K.-U. Eckhardt; H.-R. Schulten

    2012-01-01

    Sorption of the sulfonamide antibiotics sulfanilamide, sulfadimethoxine, and sulfapyridine to model soil organic matter was investigated. Therefore, Fluka humic acid and an enzymatically reacted vanillin oligomer were used in batch experiments at pH 4.5, 6.0, and 7.5. Sorption of the amphoteric sulfonamides was nonlinear and pH dependent. At pH 4.5 and 6.0 sorption to both humic acid and oligomer increased in the order sulfanilamide < sulfapyridine < sulfadimethoxine. This was primarily attri...

  15. Characterization of High Explosives and Other Energetic Compounds by Computational Chemistry and Molecular Modeling: Experiments for Undergraduate Curriculum

    Science.gov (United States)

    Bumpus, John A.; Lewis, Anne; Stotts, Corey; Cramer, Christopher J.

    2007-01-01

    Experiments suited for the undergraduate instructional laboratory in which the heats of formation of several aliphatic and aromatic compounds are calculated, are described. The experiments could be used to introduce students to commercially available computational chemistry and its thermodynamics, while assess and compare the energy content of…

  16. A Discovery Chemistry Experiment on Buffers

    Science.gov (United States)

    Kulevich, Suzanne E.; Herrick, Richard S.; Mills, Kenneth V.

    2014-01-01

    The Holy Cross Chemistry Department has designed and implemented an experiment on buffers as part of our Discovery Chemistry curriculum. The pedagogical philosophy of Discovery Chemistry is to make the laboratory the focal point of learning for students in their first two years of undergraduate instruction. We first pose questions in prelaboratory…

  17. Micro-polymer Chemistry Experiment Teaching Research

    Institute of Scientific and Technical Information of China (English)

    李青山

    2009-01-01

    For nearly thirty years,there has been made great progress in micro-polymer chemistry experiment teaching which has these characteristics that using less reagents,less pollution and more portable in comparison with the conventional experiment.In China,Zhou Ninghuai and others began to go on micro-scale experiment research firstly and Professor Li Qingshan who brought this innovation to polymer organic synthesis experiment has done a lot of works in micro-polymer chemistry experiment teaching.To carry out the study ofmicro-polymer chemistry experiments not only accords with teaching methods and reform,but also conforms to the trend of the times of green chemistry.So the research and application of micro-polymer chemistry experiment have broad prospects.

  18. Modelling electric discharge chemistry

    International Nuclear Information System (INIS)

    The chemistry occurring in a electric discharge was modelled to predict how it would be influenced by discharge conditions. The discharge was characterized by a calculated Boltzmann electron-energy distribution, from which rate constants for electron-molecule processes in air were determined. These rate constants were used in a chemical kinetics calculation that also included reactions between neutral molecules, ions, free radicals and electronically excited species. The model describes how the discharge chemistry was influenced by humidity, electric field, electron number density, and concentrations of key reagents identified in the study. The use of an electric discharge to destroy airborne contaminant molecules was appraised, the targeted contaminants being CF2Cl2, HCN, and SO2. The modelling results indicate that an electric discharge should be able to remove HCN and CF2Cl2 effectively, especially if the discharge conditions have been optimized. Effective destruction is achieved with a moderate electric field (over 1 x 10-15 V.cm2), a substantial electron number density (over 1 x 1012 cm-3), and the presence of H20 in the process air. The residence time in the discharge was also shown to be important in contaminant destruction. An attempt was made to explain the results of the electric discharge abatement of SO2, a component of a simulated flue-gas mixture. Results from the model indicate that the discharge parameters that increase the concentration of hydroxyl radical also increase the rate of decomposition of SO2. An objective of the study was to explain the apparent enhancement of SO2 destruction by the presence of a small amount of NO2. It was thought that a likely explanation would be the stabilization of HOSO2, an important intermediate in the oxidation of SO2 by NO2. (49 figs., 14 tabs., 75 refs.)

  19. Advanced Chemistry Basins Model

    Energy Technology Data Exchange (ETDEWEB)

    Blanco, Mario; Cathles, Lawrence; Manhardt, Paul; Meulbroek, Peter; Tang, Yongchun

    2003-02-13

    The objective of this project is to: (1) Develop a database of additional and better maturity indicators for paleo-heat flow calibration; (2) Develop maturation models capable of predicting the chemical composition of hydrocarbons produced by a specific kerogen as a function of maturity, heating rate, etc.; assemble a compositional kinetic database of representative kerogens; (3) Develop a 4 phase equation of state-flash model that can define the physical properties (viscosity, density, etc.) of the products of kerogen maturation, and phase transitions that occur along secondary migration pathways; (4) Build a conventional basin model and incorporate new maturity indicators and data bases in a user-friendly way; (5) Develop an algorithm which combines the volume change and viscosities of the compositional maturation model to predict the chemistry of the hydrocarbons that will be expelled from the kerogen to the secondary migration pathways; (6) Develop an algorithm that predicts the flow of hydrocarbons along secondary migration pathways, accounts for mixing of miscible hydrocarbon components along the pathway, and calculates the phase fractionation that will occur as the hydrocarbons move upward down the geothermal and fluid pressure gradients in the basin; and (7) Integrate the above components into a functional model implemented on a PC or low cost workstation.

  20. Water chemistry experiences with VVERs at Kudankulam

    International Nuclear Information System (INIS)

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

  1. Experiments in the Chemistry of Food.

    Science.gov (United States)

    Weaver, Elbert C.

    This booklet presents 18 experiments in the chemistry of food, suitable for elementary and secondary school science classes. Experiments deal with an analysis of milk, determinations of the amounts of sulfur dioxide, iron, and fat in foods, and the concentration of vitamin C in fruit juice and iodine in salt. Tests are provided for fats,…

  2. Heterogeneous Chemistry in Global Chemistry Transport Models

    Science.gov (United States)

    Stadtler, Scarlet; Simpson, David; Schultz, Martin; Bott, Andreas

    2016-04-01

    The impact of six tropospheric heterogeneous reactions on ozone and nitrogen species was studied using two chemical transport models EMEP MSC-W and ECHAM6-HAMMOZ. Since heterogeneous reactions depend on reactant concentrations (in this study these are N_2O_5, NO_3, NO_2, O_3, HNO_3, HO_2) and aerosol surface area S_a, the modeled surface area of both models was compared to a satellite product retrieving the surface area. This comparison shows a good agreement in global pattern and especially the capability of both models to capture the extreme aerosol loadings in East Asia. Further, the impact of the heterogeneous reactions was evaluated by the simulation of a reference run containing all heterogeneous reactions and several sensitivity runs. One reaction was turned off in each sensitivity run to compare it with the reference run. As previously shown, the analysis of the sensitivity runs shows that the globally most important heterogeneous reaction is the one of N_2O_5. Nevertheless, NO_2, NO_3, HNO3 and HO2 heterogeneous reactions gain relevance particular in East China due to presence of high NOx concentrations and high Sa in the same region. The heterogeneous reaction of O3 itself on dust is compared to the other heterogeneous reactions of minor relevance. Evaluation of the models with northern hemispheric ozone surface observations yields a better agreement of the models with observations when the heterogeneous reactions are incorporated. Impacts of emission changes on the importance of the heterogeneous chemistry will be discussed.

  3. Biodiesel Synthesis and Evaluation: An Organic Chemistry Experiment

    Science.gov (United States)

    Bucholtz, Ehren C.

    2007-01-01

    A new lab esterification reaction based on biodiesel preparation and viscosity, which provides a model experience of industrial process to understand oxidation of vicinal alcohols by periodic acid, is presented. This new desertification experiment and periodate analysis of glycerol for the introductory organic chemistry laboratory provides an…

  4. Simplified Model for Reburning Chemistry

    DEFF Research Database (Denmark)

    Glarborg, Peter; Hansen, Stine

    2010-01-01

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

  5. Laser experiments for chemistry and physics

    CERN Document Server

    Compton, Robert N

    2016-01-01

    Lasers are employed throughout science and technology, in fundamental research, the remote sensing of atmospheric gases or pollutants, communications, medical diagnostics and therapies, and the manufacturing of microelectronic devices. Understanding the principles of their operation, which underlie all of these areas, is essential for a modern scientific education. This text introduces the characteristics and operation of lasers through laboratory experiments designed for the undergraduate curricula in chemistry and physics. Introductory chapters describe the properties of light, the history of laser invention, the atomic, molecular, and optical principles behind how lasers work, and the kinds of lasers available today. Other chapters include the basic theory of spectroscopy and computational chemistry used to interpret laser experiments. Experiments range from simple in-class demonstrations to more elaborate configurations for advanced students. Each chapter has historical and theoretical background, as well...

  6. Hot functional test chemistry - long term experience

    Energy Technology Data Exchange (ETDEWEB)

    Vonkova, K.; Kysela, J., E-mail: von@ujv.cz [Nuclear Research Inst. Rez plc, Husinec-Rez (Czech Republic); Marcinsky, M. [ENEL-SE, NPP Mochovce, Mochovce (Slovakia); Martykan, M. [CEZ-ETE, NPP Temelin, Temelin (Czech Republic)

    2010-07-01

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

  7. Hot functional test chemistry - long term experience

    International Nuclear Information System (INIS)

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

  8. Titan's organic chemistry: Results of simulation experiments

    Science.gov (United States)

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

    1992-01-01

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

  9. Atmospheric Chemistry Experiment (ACE) Measurements of Tropospheric and Stratospheric Chemistry and Long-Term Trends

    Science.gov (United States)

    Rinsland, Curtis P.; Bernath, Peter; Boone, Chris; Nassar, Ray

    2007-01-01

    We highlight chemistry and trend measurement results from the Atmospheric Chemistry Experiment (ACE) which is providing precise middle troposphere to the lower thermosphere measurements with a 0.02/cm resolution Fourier transform spectrometer covering 750-4400/cm

  10. Molecular Modeling and Computational Chemistry at Humboldt State University.

    Science.gov (United States)

    Paselk, Richard A.; Zoellner, Robert W.

    2002-01-01

    Describes a molecular modeling and computational chemistry (MM&CC) facility for undergraduate instruction and research at Humboldt State University. This facility complex allows the introduction of MM&CC throughout the chemistry curriculum with tailored experiments in general, organic, and inorganic courses as well as a new molecular modeling…

  11. Microstructures for physics and chemistry experiments

    International Nuclear Information System (INIS)

    For the past 15 years we have been using integrated circuit (IC) technology to fabricate targets and diagnostic devices for physics and chemistry experiments at LLNL. Some of the features that make this technology attractive for this purpose are: the advanced state of computer aided design which makes arrays and design variation possible, the ability to print and etch feature sizes in the micron and sub-micron range, the purity of the materials used, the ample supply of equipment and procedures associated with the IC industry. Examples of the more popular devises include x-ray transmissive windows, diffraction grating, Fresnel zone plates, resolution and alignment targets, small apertures, laser targets, field emission points, and microchannel coolers. This paper discusses the fabrication of these devices and show several examples

  12. Cocrystal Controlled Solid-State Synthesis: A Green Chemistry Experiment for Undergraduate Organic Chemistry

    Science.gov (United States)

    Cheney, Miranda L.; Zaworotko, Michael J.; Beaton, Steve; Singer, Robert D.

    2008-01-01

    Green chemistry has become an important area of concern for all chemists from practitioners in the pharmaceutical industry to professors and the students they teach and is now being incorporated into lectures of general and organic chemistry courses. However, there are relatively few green chemistry experiments that are easily incorporated into…

  13. 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…

  14. Greener Approaches to Undergraduate Chemistry Experiments.

    Science.gov (United States)

    Kirchhoff, Mary, Ed.; Ryan, Mary Ann, Ed.

    This laboratory manual introduces the idea of Green Chemistry, which is the design of chemical products and processes that reduce or eliminate the use and generation of hazardous substances. Instructional samples are included to help teachers integrate green chemistry into the college chemistry curriculum. Each laboratory includes: (1) a…

  15. Teaching Lab Report Writing through Inquiry: A Green Chemistry Stoichiometry Experiment for General Chemistry

    Science.gov (United States)

    Cacciatore, Kristen L.; Sevian, Hannah

    2006-01-01

    We present an alternative to a traditional first-year chemistry laboratory experiment. This experiment has four key features: students utilize stoichiometry, learn and apply principles of green chemistry, engage in authentic scientific inquiry, and discover why each part of a scientific lab report is necessary. The importance and essential…

  16. Exploring a Teaching Model of Organic Chemistry Open Experiment%有机化学开放性实验教学模式的探索

    Institute of Scientific and Technical Information of China (English)

    郑清云; 申有名; 张向阳; 陈贞干

    2015-01-01

    采用层次递进的方式,构建基础训练、综合设计、研究创新三个层次的实验教学体系,探索有机化学开放性实验教学模式;以教师科研课题及学生创新立项课题为基础,加强开放实验教学全方位管理,带动开放实验教学,建立与开放实验教学相适应的管理信息系统;以开放的实验教学模式,调动了学生实验积极性,促进了学生知识、能力、素质的协调发展。%A teaching model of organic chemistry open experiment was explored, using hierarchical progressive method including construction of basic training, integrated design, research and innovation of the three levels experimental teaching system. In addition, a comprehensive management of open experimental teaching was expounded based on the teacher′s scientific research topic and student innovation project in order to promote an open experimental teaching and establish a management information system compatible with the open experiment teaching. In order to mobilize the enthusiasm of students experiment and promote the coordinated development of students′ knowledge, ability and quality, an open experimental teaching mode was developed.

  17. 有机化学实验教学中运用PBL教学模式的利与弊%Advantages and Disadvantages of Using PBL Teaching Model in Organic Chemistry Experiment Teaching

    Institute of Scientific and Technical Information of China (English)

    隋丽丽; 葛欣

    2015-01-01

    有机化学实验是医学院校一门重要的基础课,作者尝试在有机化学实验教学中运用 PBL 模式,取得了良好的教学效果, PBL 模式可促进学生全面发展,培养学生的综合素质和创新能力,但由于教师素质,学生素质,教学资源等问题的存在,在高校有机化学实验教学中实施 PBL 模式也存在一定的弊端。作者在文中主要探讨了在有机化学实验教学中运用 PBL 模式的利与弊。%Organic chemistry experiment is an important basic course in medical colleges. The PBL mode was tried to make use in organic chemistry experiment teaching and obtained favorable teaching effect. PBL model could promote the all-round development of students and enhance the students’ comprehensive quality and innovative ability. Because of the quality of teachers, students’ quality, teaching resources and other problems, using PBL model in organic chemistry experiment teaching in Colleges also had some disadvantages. The advantages and disadvantages of utilizing PBL mode in organic chemistry experiment teaching were mainly discussed.

  18. Developing enhancement models for first-year chemistry concepts

    Science.gov (United States)

    Storer, Donald A.

    2000-10-01

    This dissertation consists of three units, each of which addresses a topic in one of three major categories of chemical education research as required by the Ph.D. program in chemistry with emphasis in chemical education at Miami University. Unit I, Modification of First-Year Chemistry Laboratory Experiences to Implement a Capstone, addresses the category on Development and Testing of Chemistry Courses or Learning Units and demonstrates an approach to implementing a multi-week capstone project as a part of the laboratory curriculum. The work outlined in Unit I demonstrates how this was accomplished in a traditional first-year chemistry setting by modifying the content of traditional first-year chemistry experiments and having the students complete a capstone project that addresses multiple content areas. Unit II, Assessment of a Materials Development Model, addresses the Development and Testing of Chemistry-Based Instructional Materials category. This study determines the effectiveness of a materials development model in producing a publishable quality student monograph and instructor's guide to be used in chemical technology education. The materials development model described in Unit II was used to develop a student monograph (which contains ten laboratory activities) and instructor's guide that could be used in a chemical technology education curriculum. Unit III, Predicting Performance in General Chemistry at Miami University Using ACT and SAT Test Scores, is a project in the category of Research in Student Learning of Chemistry. From a subject pool of 2,764 first-year chemistry students taking General Chemistry at Miami University, Oxford during the fall of the years 1993 and 1994, a sub-sample of 1,023 subjects for which complete data was available was used to develop regression equations based on ACT or SAT scores to predict performance in first-year chemistry.

  19. Laboratory experiments in the study of the chemistry of the outer planets

    Science.gov (United States)

    Scattergood, T. W.

    It is shown that much information about planetary chemistry and physics can be gained through laboratory work. The types of experiments relevant to planetary research concern fundamental properties, spectral/optical properties, 'Miller-Urey' syntheses, and detailed syntheses. Specific examples of studies of the chemistry in the atmosphere of Titan are described with attention given to gas phase chemistry in the troposphere and the composition of model Titan aerosols. A list of work that still needs to be done is provided.

  20. Synthesis of Ethyl Nalidixate: A Medicinal Chemistry Experiment

    Science.gov (United States)

    Leslie, Ray; Leeb, Elaine; Smith, Robert B.

    2012-01-01

    A series of laboratory experiments that complement a medicinal chemistry lecture course in drug design and development have been developed. The synthesis of ethyl nalidixate covers three separate experimental procedures, all of which can be completed in three, standard three-hour lab classes and incorporate aspects of green chemistry such as…

  1. Synthesis of Aspirin: A General Chemistry Experiment.

    Science.gov (United States)

    Olmsted, John III

    1998-01-01

    Describes the redesign of the first semester general chemistry laboratory at the college level. An organic component is included in the redesign and it provides students with explicit examples of several types of operations in which chemists engage. Contains 16 references. (DDR)

  2. An overview of KANUPP operating experience in chemistry

    International Nuclear Information System (INIS)

    KANUPP is a small CANDU® type PHWR (137MWe), commissioned in 1972 and now operating after life extension (PLEX) since 2004. This paper contains an overview of the plant operating experience in chemistry control over the past year including life extension period. Emphasis is on: Success story; Practices; Future improvements in chemistry programs. Considerable efforts are underway to maintain plant equipment and systems to mitigate the effect of plant ageing. The improvements that have been made at the station are as under: Heat transport system (HTS) chemistry, its effects on construction material; Feed water chemistry on secondary side (considering the condenser leaks). Strict chemistry control is being exercised for the heat transport system (HTS) for its better chemistry control. For short term, the changes are limited to pH adjustments of HTS. This change decreases the rate of thinning of outlet feeders as noted in some CANDUs® due to flow accelerated corrosion (FAC). Water Treatment Plant has been refurbished to get very low total dissolved solids (TDS) de-mineralized water for secondary side systems of the plant. Experience of steam generators flushing before startup, sludge pile analyses mapping, verification of pH from different sampling points of SGs, are the short term mitigating actions to address sludge pile problem in steam generators (SGs). The R and D on HTS and SGs is multifaceted and is aimed at achieving optimum chemistry control. Study is being conducted for improving chemistry control for the material, equipment and systems of the plant. (author)

  3. Advanced Undergraduate Experiments in Thermoanalytical Chemistry.

    Science.gov (United States)

    Hill, J. O.; Magee, R. J.

    1988-01-01

    Describes several experiments using the techniques of thermal analysis and thermometric titrimetry. Defines thermal analysis and several recent branches of the technique. Notes most of the experiments use simple equipment and standard laboratory techniques. (MVL)

  4. BWR and PWR chemistry operating experience and perspectives

    International Nuclear Information System (INIS)

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

  5. Epoxide Chemistry: Guided Inquiry Experiment Emphasizing Structure Determination and Mechanism

    Science.gov (United States)

    Krishnamurty, H. G.; Jain, Niveta; Samby, Kiran

    2000-04-01

    This paper presents an operationally simple three-step synthesis of an a-hydroxy acid based on epoxide chemistry. The focus of the experiment is on the preparation of the chalcone epoxide and its reaction with hot alcoholic alkali. The experiment leads to an unpredicted reaction product. Its structure is established as 2-benzyl-2-phenylglycollic acid by chemical and spectroscopic analysis. The hydroxyacid is a good example to bring home an important NMR principle: the nonequivalence of hydrogens adjacent to a stereogenic center. The formation of the alpha-hydroxy acid is a mechanistic puzzle. A stepwise mechanism can be developed applying lecture-based organic chemistry concepts. On the other hand, acid-catalyzed (H2SO4, BF3) reaction of the chalcone epoxide gives benzoylphenylacetaldehyde. The exercise can be used as a multistep organic chemistry experiment. It also gives students a research-type experience.

  6. Spectroelectrochemical Sensing of Aqueous Iron: An Experiment for Analytical Chemistry

    Science.gov (United States)

    Shtoyko, Tanya; Stuart, Dean; Gray, H. Neil

    2007-01-01

    We have designed a laboratory experiment to illustrate the use of spectroelectrochemical techniques for determination of aqueous iron. The experiment described in this article is applicable to an undergraduate laboratory course in analytical chemistry. Students are asked to fabricate spectroelectrochemical sensors, make electrochemical and optical…

  7. Solution Calorimetry Experiments for Physical Chemistry.

    Science.gov (United States)

    Raizen, Deborah A.; And Others

    1988-01-01

    Presents two experiments: the first one measures the heat of an exothermic reaction by the reduction of permanganate by the ferris ion; the second one measures the heat of an endothermic process, the mixing of ethanol and cyclohexane. Lists tables to aid in the use of the solution calorimeter. (MVL)

  8. A General Chemistry Experiment Incorporating Synthesis and Structural Determination

    Science.gov (United States)

    van Ryswyk, Hal

    1997-07-01

    An experiment for the general chemistry laboratory is described wherein gas chromatography-mass spectroscopy (GC-MS) and diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) are used to characterize the products of a series of microscale reactions on vanillin. A single sophisticated instrument can be incorporated into the laboratory given sufficient attention to the use of sampling accessories and software macros. Synthetic experiments coupled with modern instrumental techniques can be used in the general chemistry laboratory to illustrate the concepts of synthesis, structure, bonding, and spectroscopy.

  9. GEOS-5 Chemistry Transport Model User's Guide

    Science.gov (United States)

    Kouatchou, J.; Molod, A.; Nielsen, J. E.; Auer, B.; Putman, W.; Clune, T.

    2015-01-01

    The Goddard Earth Observing System version 5 (GEOS-5) General Circulation Model (GCM) makes use of the Earth System Modeling Framework (ESMF) to enable model configurations with many functions. One of the options of the GEOS-5 GCM is the GEOS-5 Chemistry Transport Model (GEOS-5 CTM), which is an offline simulation of chemistry and constituent transport driven by a specified meteorology and other model output fields. This document describes the basic components of the GEOS-5 CTM, and is a user's guide on to how to obtain and run simulations on the NCCS Discover platform. In addition, we provide information on how to change the model configuration input files to meet users' needs.

  10. Modelling chemistry over the Dead Sea: bromine and ozone chemistry

    Directory of Open Access Journals (Sweden)

    L. Smoydzin

    2009-02-01

    Full Text Available Measurements of O3 and BrO concentrations over the Dead Sea indicate that Ozone Depletion Events (ODEs, widely known to happen in polar regions, are also likely to occur over the Dead Sea due to the very high bromine content of the Dead Sea water. However, we show that BrO and O3 levels as they are detected cannot solely be explained by high Br levels in the Dead Sea water and the release of gas phase halogen species out of sea borne aerosol particles and their conversion to reactive halogen species. It is likely that other sources for reactive halogen compounds are needed to explain the observed concentrations for BrO and O3. To explain the chemical mechanism taking place over the Dead Sea leading to BrO levels of several pmol/mol we used the single column model MISTRA which calculates microphysics, meteorology, gas and aerosol phase chemistry. We performed pseudo Lagrangian studies by letting the model column first move over the desert which surrounds the Dead Sea region and then let it move over the Dead Sea itself. To include an additional source for gas phase halogen compounds, gas exchange between the Dead Sea water and the atmosphere is treated explicitly. Model calculations indicate that this process has to be included to explain the measurements.

  11. Modelling chemistry over the Dead Sea: bromine and ozone chemistry

    Directory of Open Access Journals (Sweden)

    R. von Glasow

    2009-07-01

    Full Text Available Measurements of O3 and BrO concentrations over the Dead Sea indicate that Ozone Depletion Events (ODEs, widely known to happen in polar regions, are also occuring over the Dead Sea due to the very high bromine content of the Dead Sea water. However, we show that BrO and O3 levels as they are detected cannot solely be explained by high Br levels in the Dead Sea water and the release of gas phase halogen species out of sea borne aerosol particles and their conversion to reactive halogen species. It is likely that other sources for reactive halogen compounds are needed to explain the observed concentrations for BrO and O3. To explain the chemical mechanism taking place over the Dead Sea leading to BrO levels of several pmol/mol we used the one-dimensional model MISTRA which calculates microphysics, meteorology, gas and aerosol phase chemistry. We performed pseudo Lagrangian studies by letting the model column first move over the desert which surrounds the Dead Sea region and then let it move over the Dead Sea itself. To include an additional source for gas phase halogen compounds, gas exchange between the Dead Sea water and the atmosphere is treated explicitly. Model calculations indicate that this process has to be included to explain the measurements.

  12. Dilution physics modeling: Dissolution/precipitation chemistry

    International Nuclear Information System (INIS)

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

  13. Synthesis of Bisphenol Z: An Organic Chemistry Experiment

    Science.gov (United States)

    Gregor, Richard W.

    2012-01-01

    A student achievable synthesis of bisphenol Z, 4,4'-(cyclohexane-1,1-diyl)diphenol, from the acid-catalyzed reaction of phenol with cyclohexanone is presented. The experiment exemplifies all the usual pedagogy for the standard topic of electrophilic aromatic substitution present in the undergraduate organic chemistry curriculum, while providing…

  14. Ionic Liquids and Green Chemistry: A Lab Experiment

    Science.gov (United States)

    Stark, Annegret; Ott, Denise; Kralisch, Dana; Kreisel, Guenter; Ondruschka, Bernd

    2010-01-01

    Although ionic liquids have been investigated as solvents for many applications and are starting to be used in industrial processes, only a few lab experiments are available to introduce students to these materials. Ionic liquids have been discussed in the context of green chemistry, but few investigations have actually assessed the degree of…

  15. Biodiesel from Seeds: An Experiment for Organic Chemistry

    Science.gov (United States)

    Goldstein, Steven W.

    2014-01-01

    Plants can store the chemical energy required by their developing offspring in the form of triglycerides. These lipids can be isolated from seeds and then converted into biodiesel through a transesterification reaction. This second-year undergraduate organic chemistry laboratory experiment exemplifies the conversion of an agricultural energy…

  16. Experience on KKNPP VVER 1000 MWe water chemistry

    International Nuclear Information System (INIS)

    Kudankulam Nuclear Power Project consists of pressurized water reactor (VVER) 2 x 1000 MWe constructed in collaboration with Russian Federation at Kudankulam in Tirunelveli District, Tamilnadu. Unit - 1 attained criticality on July 13th 2013 and the unit was synchronized to grid on 22nd October 2013. This paper highlights experience gained on water chemistry regime for primary and secondary circuit. (author)

  17. A Physical Chemistry Experiment in Polymer Crystallization Kinetics

    Science.gov (United States)

    Singfield, Kathy L.; Chisholm, Roderick A.; King, Thomas L.

    2012-01-01

    A laboratory experiment currently used in an undergraduate physical chemistry lab to investigate the rates of crystallization of a polymer is described. Specifically, the radial growth rates of typical disc-shaped crystals, called spherulites, growing between microscope glass slides are measured and the data are treated according to polymer…

  18. Modelling of tropospheric ozone and radical chemistry

    OpenAIRE

    Burkert, Jörn

    2003-01-01

    This work describes in detail the photochemistry of ozone and radicals in both remote clean air and heavily polluted regions. The results of two field studies are presented: the Indian Ocean Experiment (INDOEX) and the Peroxy Radical Initiative for Measurements in the Environment (PRIME).The :b:INDOEX:/b: campaign studied the chemistry of remote areas of the Indian Ocean and the influence of the outflow from the Indian subcontinent on these regions. Measurements of trace gases (NMHC, O3, RO2*...

  19. Modelling the atmospheric chemistry of volcanic plumes

    OpenAIRE

    Surl, Luke

    2016-01-01

    Abstract Volcanoes are the principal way by which volatiles are transferred from the solid Earth to the atmosphere-hydrosphere system. Once released into the atmosphere, volcanic emissions rapidly undergo a complex series of chemical reactions. This thesis seeks to further the understanding of such processes by both observation and numerical modelling. I have adapted WRF-Chem to model passive degassing from Mount Etna, the chemistry of its plume, and its influence on the ...

  20. Studying complex chemistries using PLASIMO's global model

    Science.gov (United States)

    Koelman, PMJ; Tadayon Mousavi, S.; Perillo, R.; Graef, WAAD; Mihailova, DB; van Dijk, J.

    2016-02-01

    The Plasimo simulation software is used to construct a Global Model of a CO2 plasma. A DBD plasma between two coaxial cylinders is considered, which is driven by a triangular input power pulse. The plasma chemistry is studied during this power pulse and in the afterglow. The model consists of 71 species that interact in 3500 reactions. Preliminary results from the model are presented. The model has been validated by comparing its results with those presented in Kozák et al. (Plasma Sources Science and Technology 23(4) p. 045004, 2014). A good qualitative agreement has been reached; potential sources of remaining discrepancies are extensively discussed.

  1. Spanish-Speaking English Language Learners' Experiences in High School Chemistry Education

    Science.gov (United States)

    Flores, Annette; Smith, K. Christopher

    2013-01-01

    This article reports on the experiences of Spanish-speaking English language learners in high school chemistry courses, focusing largely on experiences in learning the English language, experiences learning chemistry, and experiences learning chemistry in the English language. The findings illustrate the cognitive processes the students undertake…

  2. An EPR Experiment for the Undergraduate Physical Chemistry Laboratory

    Science.gov (United States)

    Butera, R. A.; Waldeck, D. H.

    2000-11-01

    An experiment that illustrates the principles of electron paramagnetic resonance spectroscopy in the undergraduate physical chemistry laboratory is described. Students measure the value of g for DPPH and use it to determine the value of g for two inorganic complexes, Cu(acac)2 and VO(acac)2. The students use two instruments: an instructional device that illustrates the principles of EPR and a commercial Varian E4 spectrometer. This approach allows an elucidation of the principles of the method and provides experience with a more sophisticated research-grade instrument.

  3. Developments for transactinide chemistry experiments behind the gas-filled separator TASCA

    OpenAIRE

    Even, Julia

    2011-01-01

    Topic of this thesis is the development of experiments behind the gas-filled separator TASCA(TransActinide Separator and Chemistry Apparatus) to study the chemical properties of the transactinide elements.rnIn the first part of the thesis, the electrodepositions of short-lived isotopes of ruthenium and osmium on gold electrodes were studied as model experiments for hassium. From literature it is known that the deposition potential of single atoms differs significantly from the potential predi...

  4. Modeling Human Serum Albumin Tertiary Structure to Teach Upper-Division Chemistry Students Bioinformatics and Homology Modeling Basics

    Science.gov (United States)

    Petrovic, Dus?an; Zlatovic´, Mario

    2015-01-01

    A homology modeling laboratory experiment has been developed for an introductory molecular modeling course for upper-division undergraduate chemistry students. With this experiment, students gain practical experience in homology model preparation and assessment as well as in protein visualization using the educational version of PyMOL…

  5. Chemistry Graduate Teaching Assistants' Experiences in Academic Laboratories and Development of a Teaching Self-image

    Science.gov (United States)

    Gatlin, Todd Adam

    interaction of 1) prior experiences, 2) training, 3) beliefs about the nature of knowledge, 4) beliefs about the nature of laboratory work, and 5) involvement in the laboratory setting. Further GTAs' self-images are malleable and susceptible to change through their laboratory teaching experiences. Overall, this dissertation contributes to chemistry education by providing a model useful for exploring GTAs' development of a self-image in laboratory teaching. This work may assist laboratory instructors and coordinators in reconsidering, when applicable, GTA training and support. This work also holds considerable implications for how teaching experiences are conceptualized as part of the chemistry graduate education experience. Findings suggest that appropriate teaching experiences may contribute towards better preparing graduate students for their journey in becoming scientists.

  6. Algebraic Turbulence-Chemistry Interaction Model

    Science.gov (United States)

    Norris, Andrew T.

    2012-01-01

    The results of a series of Perfectly Stirred Reactor (PSR) and Partially Stirred Reactor (PaSR) simulations are compared to each other over a wide range of operating conditions. It is found that the PaSR results can be simulated by a PSR solution with just an adjusted chemical reaction rate. A simple expression has been developed that gives the required change in reaction rate for a PSR solution to simulate the PaSR results. This expression is the basis of a simple turbulence-chemistry interaction model. The interaction model that has been developed is intended for use with simple one-step global reaction mechanisms and for steady-state flow simulations. Due to the simplicity of the model there is very little additional computational cost in adding it to existing CFD codes.

  7. Can a “state of the art” chemistry transport model simulate Amazonian tropospheric chemistry?

    OpenAIRE

    Barkley, MP; Palmer, PI; Ganzeveld, L; A. Arneth; Hagberg, D; T. Karl; A. Guenther; F. Paulot; Wennberg, PO; Mao, J; Kurosu, TP; Chance, K.; Müller, JF; I. De Smedt; Van Roozendael, M.

    2011-01-01

    We present an evaluation of a nested high-resolution Goddard Earth Observing System (GEOS)-Chem chemistry transport model simulation of tropospheric chemistry over tropical South America. The model has been constrained with two isoprene emission inventories: (1) the canopy-scale Model of Emissions of Gases and Aerosols from Nature (MEGAN) and (2) a leaf-scale algorithm coupled to the Lund-Potsdam-Jena General Ecosystem Simulator (LPJ-GUESS) dynamic vegetation model, and the model has been run...

  8. Matrix fluid chemistry experiment. Final report June 1998 - March 2003

    International Nuclear Information System (INIS)

    The Matrix Fluid Chemistry Experiment set out to determine the composition and evolution of matrix pore fluids/waters in low permeable rock located at repository depths in the Aespoe Hard Rock Laboratory (HRL). Matrix pore fluids/waters can be highly saline in composition and, if accessible, may influence the near-field groundwater chemistry of a repository system. Characterising pore fluids/waters involved in-situ borehole sampling and analysis integrated with laboratory studies and experiments on rock matrix drill core material. Relating the rate of in-situ pore water accumulation during sampling to the measured rock porosity indicated a hydraulic conductivity of 10-14-10-13 m/s for the rock matrix. This was in accordance with earlier estimated predictions. The sampled matrix pore water, brackish in type, mostly represents older palaeo- groundwater mixtures preserved in the rock matrix and dating back to at least the last glaciation. A component of matrix pore 'fluid' is also present. One borehole section suggests a younger groundwater component which has accessed the rock matrix during the experiment. There is little evidence that the salinity of the matrix pore waters has been influenced significantly by fluid inclusion populations hosted by quartz. Crush/leach, cation exchange, pore water diffusion and pore water displacement laboratory experiments were carried out to compare extracted/calculated matrix pore fluids/waters with in-situ sampling. Of these the pore water diffusion experiments appear to be the most promising approach and a recommended site characterisation protocol has been formulated. The main conclusions from the Matrix Fluid Chemistry Experiment are: Groundwater movement within the bedrock hosting the experimental site has been enhanced by increased hydraulic gradients generated by the presence of the tunnel, and to a much lesser extent by the borehole itself. Over experimental timescales ∼4 years) solute transport through the rock matrix is

  9. Matrix fluid chemistry experiment. Final report June 1998 - March 2003

    Energy Technology Data Exchange (ETDEWEB)

    Smellie, John A.T. [Conterra AB, Luleaa (Sweden); Waber, H. Niklaus [Univ. of Bern (Switzerland). Inst. of Geology; Frape, Shaun K. [Univ. of Waterloo (Canada). Dept. of Earth Sciences

    2003-06-01

    The Matrix Fluid Chemistry Experiment set out to determine the composition and evolution of matrix pore fluids/waters in low permeable rock located at repository depths in the Aespoe Hard Rock Laboratory (HRL). Matrix pore fluids/waters can be highly saline in composition and, if accessible, may influence the near-field groundwater chemistry of a repository system. Characterising pore fluids/waters involved in-situ borehole sampling and analysis integrated with laboratory studies and experiments on rock matrix drill core material. Relating the rate of in-situ pore water accumulation during sampling to the measured rock porosity indicated a hydraulic conductivity of 10{sup -14}-10{sup -13} m/s for the rock matrix. This was in accordance with earlier estimated predictions. The sampled matrix pore water, brackish in type, mostly represents older palaeo- groundwater mixtures preserved in the rock matrix and dating back to at least the last glaciation. A component of matrix pore 'fluid' is also present. One borehole section suggests a younger groundwater component which has accessed the rock matrix during the experiment. There is little evidence that the salinity of the matrix pore waters has been influenced significantly by fluid inclusion populations hosted by quartz. Crush/leach, cation exchange, pore water diffusion and pore water displacement laboratory experiments were carried out to compare extracted/calculated matrix pore fluids/waters with in-situ sampling. Of these the pore water diffusion experiments appear to be the most promising approach and a recommended site characterisation protocol has been formulated. The main conclusions from the Matrix Fluid Chemistry Experiment are: Groundwater movement within the bedrock hosting the experimental site has been enhanced by increased hydraulic gradients generated by the presence of the tunnel, and to a much lesser extent by the borehole itself. Over experimental timescales {approx}4 years) solute transport

  10. Investigating the Effects of Project-Oriented Chemistry Experiments on Some Affective and Cognitive Field Components

    Directory of Open Access Journals (Sweden)

    İnci MORGİL

    2009-04-01

    Full Text Available The general aim of this study is to prepare project-based chemistry experiments related to various chemistry topics via group study by pre-service chemistry teachers. Also it is tried to find answers to the following questions:1. Did pre-service teachers’ performance change after mentioned applications? 2. Had conducted applications effect on pre-service teachers’ attitude towards chemistry, attitudes towards chemistry laboratory, anxieties and scientific process skills? 3. How was the physical condition of laboratory where project-based chemistry experiment applications were conducted and what were the difficulties encountered by pre-service teachers in laboratory studies?

  11. Genetic Algorithm Approaches to Prebiobiotic Chemistry Modeling

    Science.gov (United States)

    Lohn, Jason; Colombano, Silvano

    1997-01-01

    We model an artificial chemistry comprised of interacting polymers by specifying two initial conditions: a distribution of polymers and a fixed set of reversible catalytic reactions. A genetic algorithm is used to find a set of reactions that exhibit a desired dynamical behavior. Such a technique is useful because it allows an investigator to determine whether a specific pattern of dynamics can be produced, and if it can, the reaction network found can be then analyzed. We present our results in the context of studying simplified chemical dynamics in theorized protocells - hypothesized precursors of the first living organisms. Our results show that given a small sample of plausible protocell reaction dynamics, catalytic reaction sets can be found. We present cases where this is not possible and also analyze the evolved reaction sets.

  12. System dynamics modeling: from mechanics to chemistry

    OpenAIRE

    D’Anna, Michele; Fuchs, Hans; Lubini, Paolo

    2008-01-01

    In this paper, we discuss a contribution toward the use of analogical reasoning by explicit system dynamics modeling of physical processes. The relational structures found in simple models are transferred to an example of chemical processes leading to chemical equilibrium. We present an experiment on the mutarotation of D-glucose. A dynamical model will be built that makes use of amount of substance and chemical potential differences in analogy to quantities of fluid and pressure ...

  13. Solving vertical transport and chemistry in air pollution models

    OpenAIRE

    Berkvens, Patrick; Botchev, M.A.; Verwer, Jan; M. C. Krol; Peters, W.

    2000-01-01

    For the time integration of stiff transport-chemistry problems from air pollution modelling, standard ODE solvers are not feasible due to the large number of species and the 3D nature. The popular alternative, standard operator splitting, introduces artificial transients for short-lived species. This complicates the chemistry solution, easily causing large errors for such species. In the framework of an operational global air pollution model, we focus on the problem formed by chemistry and ve...

  14. Solving vertical transport and chemistry in air pollution models

    OpenAIRE

    Berkvens, P.J.F.; Botchev, M.A.; M. C. Krol; Peters, W.; Verwer, J.G.

    2002-01-01

    For the time integration of stiff transport-chemistry problems from air pollution modelling, standard ODE solvers are not feasible due to the large number of species and the 3D nature. The popular alternative, standard operator splitting, introduces artificial transients for short-lived species. This complicates the chemistry solution, easily causing large errors for such species. In the framework of an operational global air pollution model, we focus on the problem formed by chemistry and ve...

  15. Solving Vertical Transport and Chemistry in Air Pollution Models.

    OpenAIRE

    Berkvens, P.J.F.; Botchev, M.A.; Verwer, J.G.; M. C. Krol; Peters, W.

    2000-01-01

    For the time integration of stiff transport-chemistry problems from air pollution modelling, standard ODE solvers are not feasible due to the large number of species and the 3D nature. The popular alternative, standard operator splitting, introduces artificial transients for short-lived species. This complicates the chemistry solution, easily causing large errors for such species. In the framework of an operational global air pollution model, we focus on the problem formed by chemistry and ve...

  16. Striking a Balance: Experiment and Concept in Undergraduate Inorganic Chemistry.

    Science.gov (United States)

    Frey, John E.

    1990-01-01

    Described is an inorganic chemistry course based on the premise that a balanced understanding of inorganic chemistry requires knowledge of the experimental, theoretical, and technological aspects of the subject. A detailed description of lectures and laboratories is included. (KR)

  17. Effects of `Environmental Chemistry' Elective Course Via Technology-Embedded Scientific Inquiry Model on Some Variables

    Science.gov (United States)

    Çalik, Muammer; Özsevgeç, Tuncay; Ebenezer, Jazlin; Artun, Hüseyin; Küçük, Zeynel

    2014-06-01

    The purpose of this study is to examine the effects of `environmental chemistry' elective course via Technology-Embedded Scientific Inquiry (TESI) model on senior science student teachers' (SSSTs) conceptions of environmental chemistry concepts/issues, attitudes toward chemistry, and technological pedagogical content knowledge (TPACK) levels. Within one group pre-test-post-test design, the study was conducted with 117 SSSTs (68 females and 49 males—aged 21-23 years) enrolled in an `environmental chemistry' elective course in the spring semester of 2011-2012 academic-years. Instruments for data collection comprised of Environmental Chemistry Conceptual Understanding Questionnaire, TPACK survey, and Chemistry Attitudes and Experiences Questionnaire. Significant increases in the SSSTs' conceptions of environmental chemistry concepts/issues, attitudes toward chemistry, and TPACK levels are attributed to the SSSTs learning how to use the innovative technologies in the contexts of the `environmental chemistry' elective course and teaching practicum. The study implies that the TESI model may serve a useful purpose in experimental science courses that use the innovative technologies. However, to generalize feasibility of the TESI model, it should be evaluated with SSSTs in diverse learning contexts.

  18. A School-Community Science Experience: Great Valley's Chemistry-Industry Awareness Program.

    Science.gov (United States)

    Clapper, Thomas W.

    1980-01-01

    Describes the Chemistry-Industry Awareness Program, a community-related program implemented at Great Valley High School in Malvern, Pa., which provides opportunities and work experiences for second-year chemistry students that may aid in career decision making in chemistry-related occupations. (CS)

  19. The role of chemistry and pH of solid surfaces for specific adsorption of biomolecules in solution—accurate computational models and experiment

    International Nuclear Information System (INIS)

    Adsorption of biomolecules and polymers to inorganic nanostructures plays a major role in the design of novel materials and therapeutics. The behavior of flexible molecules on solid surfaces at a scale of 1–1000 nm remains difficult and expensive to monitor using current laboratory techniques, while playing a critical role in energy conversion and composite materials as well as in understanding the origin of diseases. Approaches to implement key surface features and pH in molecular models of solids are explained, and distinct mechanisms of peptide recognition on metal nanostructures, silica and apatite surfaces in solution are described as illustrative examples. The influence of surface energies, specific surface features and protonation states on the structure of aqueous interfaces and selective biomolecular adsorption is found to be critical, comparable to the well-known influence of the charge state and pH of proteins and surfactants on their conformations and assembly. The representation of such details in molecular models according to experimental data and available chemical knowledge enables accurate simulations of unknown complex interfaces in atomic resolution in quantitative agreement with independent experimental measurements. In this context, the benefits of a uniform force field for all material classes and of a mineral surface structure database are discussed. (paper)

  20. Quantifying atmospheric transport, chemistry, and mixing using a new trajectory-box model and a global atmospheric-chemistry GCM

    OpenAIRE

    H. Riede; Jöckel, P.; Sander, R.

    2009-01-01

    We present a novel method for the quantification of transport, chemistry, and mixing along atmospheric trajectories based on a consistent model hierarchy. The hierarchy consists of the new atmospheric-chemistry trajectory-box model CAABA/MJT and the three-dimensional (3-D) global ECHAM/MESSy atmospheric-chemistry (EMAC) general circulation model. CAABA/MJT employs the atmospheric box model CAABA in a configuration using the atmospheric-chemistry submodel MECCA (M), the photochemistry submodel...

  1. A New Definition of Models and Modeling in Chemistry's Teaching

    Science.gov (United States)

    Chamizo, José A.

    2013-07-01

    The synthesis of new chemical compounds makes it the most productive science. Unfortunately chemistry education practice has not been driven to any great extent by research findings, philosophical positions or advances in new ways of approaching knowledge. The changes that have occurred in textbooks during the past three decades do not show any real recognition of these. Despite previously reported different types of models in this paper, from an `empirical reliability with minimal realism' approach to realism, a new simple and broad definition, a typology of models and their relation with modeling is presented.

  2. Irradiation capability of Japanese materials test reactor for water chemistry experiments

    International Nuclear Information System (INIS)

    Appropriate understanding of water chemistry in the core of LWRs is essential as chemical species generated due to water radiolysis by neutron and gamma-ray irradiation govern corrosive environment of structural materials in the core and its periphery, causing material degradation such as stress corrosion cracking. Theoretical model calculation such as water radiolysis calculation gives comprehensive understanding of water chemistry at irradiation field where we cannot directly monitor. For enhancement of the technology, accuracy verification of theoretical models under wide range of irradiation conditions, i.e. dose rate, temperature etc., with well quantified in-pile measurement data is essential. Japan Atomic Energy Agency (JAEA) has decided to launch water chemistry experiments for obtaining data that applicable to model verification as well as model benchmarking, by using an in-pile loop which will be installed in the Japan Materials Testing Reactor (JMTR). In order to clarify the irradiation capability of the JMTR for water chemistry experiments, preliminary investigations by water radiolysis / ECP model calculations were performed. One of the important irradiation conditions for the experiments, i.e. dose rate by neutron and gamma-ray, can be controlled by selecting irradiation position in the core. In this preliminary study, several representative irradiation positions that cover from highest to low absorption dose rate were chosen and absorption dose rate at the irradiation positions were evaluated by MCNP calculations. As a result of the calculations, it became clear that the JMTR could provide the irradiation conditions close to the BWR. The calculated absorption dose rate at each irradiation position was provided to water radiolysis calculations. The radiolysis calculations were performed under various conditions by changing absorption dose rate, water chemistry of feeding water etc. parametrically. Qualitatively, the concentration of H2O2, O2 and H2 at

  3. The Integration of Green Chemistry Experiments with Sustainable Development Concepts in Pre-Service Teachers' Curriculum: Experiences from Malaysia

    Science.gov (United States)

    Karpudewan, Mageswary; Ismail, Zurida Hg; Mohamed, Norita

    2009-01-01

    Purpose: The purpose of this paper is to introduce green chemistry experiments as laboratory-based pedagogy and to evaluate effectiveness of green chemistry experiments in delivering sustainable development concepts (SDCs) and traditional environmental concepts (TECs). Design/methodology/approach: Repeated measure design was employed to evaluate…

  4. O_3-N_2O correlations from the Atmospheric Chemistry Experiment: revisiting a diagnostic of transport and chemistry in the stratosphere

    OpenAIRE

    Hegglin, Michaela I.; Shepherd, Theodore G

    2007-01-01

    Our knowledge of stratospheric O3-N2O correlations is extended, and their potential for model-measurement comparison assessed, using data from the Atmospheric Chemistry Experiment (ACE) satellite and the Canadian Middle Atmosphere Model (CMAM). ACE provides the first comprehensive data set for the investigation of interhemispheric, interseasonal, and height-resolved differences of the O_3-N_2O correlation structure. By subsampling the CMAM data, the representativeness of the ACE data is evalu...

  5. Representational Translation with Concrete Models in Organic Chemistry

    Science.gov (United States)

    Stull, Andrew T.; Hegarty, Mary; Dixon, Bonnie; Stieff, Mike

    2012-01-01

    In representation-rich domains such as organic chemistry, students must be facile and accurate when translating between different 2D representations, such as diagrams. We hypothesized that translating between organic chemistry diagrams would be more accurate when concrete models were used because difficult mental processes could be augmented by…

  6. Creatine Synthesis: An Undergraduate Organic Chemistry Laboratory Experiment

    Science.gov (United States)

    Smith, Andri L.; Tan, Paula

    2006-01-01

    Students in introductory chemistry classes typically appreciate seeing the connection between course content and the "real world". For this reason, we have developed a synthesis of creatine monohydrate--a popular supplement used in sports requiring short bursts of energy--for introductory organic chemistry laboratory courses. Creatine monohydrate…

  7. Geothermal injection treatment: process chemistry, field experiences, and design options

    Energy Technology Data Exchange (ETDEWEB)

    Kindle, C.H.; Mercer, B.W.; Elmore, R.P.; Blair, S.C.; Myers, D.A.

    1984-09-01

    The successful development of geothermal reservoirs to generate electric power will require the injection disposal of approximately 700,000 gal/h (2.6 x 10/sup 6/ 1/h) of heat-depleted brine for every 50,000 kW of generating capacity. To maintain injectability, the spent brine must be compatible with the receiving formation. The factors that influence this brine/formation compatibility and tests to quantify them are discussed in this report. Some form of treatment will be necessary prior to injection for most situations; the process chemistry involved to avoid and/or accelerate the formation of precipitate particles is also discussed. The treatment processes, either avoidance or controlled precipitation approaches, are described in terms of their principles and demonstrated applications in the geothermal field and, when such experience is limited, in other industrial use. Monitoring techniques for tracking particulate growth, the effect of process parameters on corrosion and well injectability are presented. Examples of brine injection, preinjection treatment, and recovery from injectivity loss are examined and related to the aspects listed above.

  8. Making Sense of Olive Oil: Simple Experiments to Connect Sensory Observations with the Underlying Chemistry

    Science.gov (United States)

    Blatchly, Richard A.; Delen, Zeynep; O'Hara, Patricia B.

    2014-01-01

    In the last decade, our understanding of the chemistry of olive oil has dramatically improved. Here, the essential chemistry of olive oil and its important minor constituents is described and related to the typical sensory categories used to rate and experience oils: color, aroma, bitterness, and pungency. We also describe experiments to explore…

  9. The coupled atmosphere-chemistry-ocean model SOCOL-MPIOM

    Directory of Open Access Journals (Sweden)

    S. Muthers

    2014-05-01

    Full Text Available The newly developed atmosphere–ocean-chemistry-climate model SOCOL-MPIOM is presented by demonstrating the influence of the interactive chemistry module on the climate state and the variability. Therefore, we compare pre-industrial control simulations with (CHEM and without (NOCHEM interactive chemistry. In general, the influence of the chemistry on the mean state and the variability is small and mainly restricted to the stratosphere and mesosphere. The largest differences are found for the atmospheric dynamics in the polar regions, with slightly stronger northern and southern winter polar vortices in CHEM. The strengthening of the vortex is related to larger stratospheric temperature gradients, which are attributed to a parametrization of the absorption of ozone and oxygen in the Lyman-alpha, Schumann–Runge, Hartley, and Higgins bands. This effect is parametrized in the version with interactive chemistry only. A second reason for the temperature differences between CHEM and NOCHEM is related to diurnal variations in the ozone concentrations in the higher atmosphere, which are missing in NOCHEM. Furthermore, stratospheric water vapour concentrations differ substantially between the two experiments, but their effect on the temperatures is small. In both setups, the simulated intensity and variability of the northern polar vortex is inside the range of present day observations. Sudden stratospheric warming events are well reproduced in terms of their frequency, but the distribution amongst the winter months is too uniform. Additionally, the performance of SOCOL-MPIOM under changing external forcings is assessed for the period 1600–2000 using an ensemble of simulations driven by a spectral solar forcing reconstruction. The amplitude of the reconstruction is large in comparison to other state-of-the-art reconstructions, providing an upper limit for the importance of the solar signal. In the pre-industrial period (1600–1850 the simulated

  10. Touring the Tomato: A Suite of Chemistry Laboratory Experiments

    Science.gov (United States)

    Sarkar, Sayantani; Chatterjee, Subhasish; Medina, Nancy; Stark, Ruth E.

    2013-01-01

    An eight-session interdisciplinary laboratory curriculum has been designed using a suite of analytical chemistry techniques to study biomaterials derived from an inexpensive source such as the tomato fruit. A logical

  11. 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.

  12. Modeling local chemistry in PWR steam generator crevices

    Energy Technology Data Exchange (ETDEWEB)

    Millett, P.J. [EPRI, Palo Alto, CA (United States)

    1997-02-01

    Over the past two decades steam generator corrosion damage has been a major cost impact to PWR owners. Crevices and occluded regions create thermal-hydraulic conditions where aggressive impurities can become highly concentrated, promoting localized corrosion of the tubing and support structure materials. The type of corrosion varies depending on the local conditions, with stress corrosion cracking being the phenomenon of most current concern. A major goal of the EPRI research in this area has been to develop models of the concentration process and resulting crevice chemistry conditions. These models may then be used to predict crevice chemistry based on knowledge of bulk chemistry, thereby allowing the operator to control corrosion damage. Rigorous deterministic models have not yet been developed; however, empirical approaches have shown promise and are reflected in current versions of the industry-developed secondary water chemistry guidelines.

  13. Japanese Language Education for Science Students : Introductory Training through Chemistry Experiments

    Science.gov (United States)

    Takai, Kazuhiko

    This paper describes a course in Japanese language instruction for first year students in the Department of Applied Chemistry, Okayama University. The course is part of a guidance program and consists of (1) technical writing in Japanese for science students, (2) experimental report writing, and (3) project-based learning through chemistry experiments.

  14. Filtrates & Residues: Hemoglobinometry--A Biochemistry Experiment that Utilizes the Principles of Transition Metal Chemistry.

    Science.gov (United States)

    Giuliano, Vincenzo; Rieck, John Paul

    1987-01-01

    Describes a chemistry experiment dealing with hemoglobinometry that can apply to transition metal chemistry, colorimetry, and biochemistry. Provides a detailed description of the experimental procedure, including discussions of the preparation of the cyanide reagent, colorimetric measurements, and waste disposal and treatment. (TW)

  15. Investigating Affective Experiences in the Undergraduate Chemistry Laboratory: Students' Perceptions of Control and Responsibility

    Science.gov (United States)

    Galloway, Kelli R.; Malakpa, Zoebedeh; Bretz, Stacey Lowery

    2016-01-01

    Meaningful learning requires the integration of cognitive and affective learning with the psychomotor, i.e., hands-on learning. The undergraduate chemistry laboratory is an ideal place for meaningful learning to occur. However, accurately characterizing students' affective experiences in the chemistry laboratory can be a very difficult task. While…

  16. Selection of Authentic Modelling Practices as Contexts for Chemistry Education

    Science.gov (United States)

    Prins, Gjalt T.; Bulte, Astrid M. W.; van Driel, Jan H.; Pilot, Albert

    2008-01-01

    In science education, students should come to understand the nature and significance of models. In the case of chemistry education it is argued that the present use of models is often not meaningful from the students' perspective. A strategy to overcome this problem is to use an authentic chemical modelling practice as a context for a curriculum…

  17. Chemistry Teachers' Knowledge and Application of Models

    Science.gov (United States)

    Wang, Zuhao; Chi, Shaohui; Hu, Kaiyan; Chen, Wenting

    2014-01-01

    Teachers' knowledge and application of model play an important role in students' development of modeling ability and scientific literacy. In this study, we investigated Chinese chemistry teachers' knowledge and application of models. Data were collected through test questionnaire and analyzed quantitatively and qualitatively. The…

  18. Operating experience driven advancements in plant chemistry practices and standards

    International Nuclear Information System (INIS)

    Improved water chemistry control is essential to: Minimize materials degradation (e.g., stress corrosion cracking (SCC) of steam generator (SG) tubes, primary water stress corrosion cracking (PWSCC), corrosion of fuel); Minimize corrosion product transport (e.g., transport into the SGs where it can foul tube surfaces and create crevice environments for the concentration of corrosive impurities, transport and deposition on the fuel); and, Minimize dose rates. Water chemistry control must be optimized to provide overall improvement considering the sometimes variant constraints of the goals listed above. New approaches to mitigate materials degradation, reduce corrosion product transport, and minimize plant dose rates are continually sought. The industry needs to address system integrity issues through application of promising, innovative chemistry initiatives; focusing on long-term integrity and viability while maintaining fuel integrity and minimizing dose rates. This presentation will summarize some of the major initiatives with respect to PWR primary and secondary system chemistry to effectively address these goals, as they pertain to SGs. (author)

  19. Preparation of Gold Nanoparticles Using Tea: A Green Chemistry Experiment

    Science.gov (United States)

    Sharma, R. K.; Gulati, Shikha; Mehta, Shilpa

    2012-01-01

    Assimilating green chemistry principles in nanotechnology is a developing area of nanoscience research nowadays. Thus, there is a growing demand to develop environmentally friendly and sustainable methods for the synthesis of nanoparticles that utilize nontoxic chemicals, environmentally benign solvents, and renewable materials to avoid their…

  20. Insight into solution chemistry from gas-phase experiments

    Czech Academy of Sciences Publication Activity Database

    Agrawal, Divya; Schröder, Detlef

    2011-01-01

    Roč. 30, č. 1 (2011), s. 32-35. ISSN 0276-7333 Grant ostatní: European Research Council(XE) AdG HORIZOMS Institutional research plan: CEZ:AV0Z40550506 Keywords : catalysis * electrospray ionization * mass spectrometry * organometallics Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.963, year: 2011

  1. CERL code capabilities for modeling AVT chemistry

    International Nuclear Information System (INIS)

    The CERL Code was developed to describe the solution chemistry of the water on the steam generating side of PWR reactors. It is designed to calculate the equilibrium species distribution resulting from the interaction of impurities, corrosion products, and additives in the aqueous solution. It calculates the extent of ion-ion interactions, the precipitation of insoluble species and the amount of solute that partitions into the vapor phase when some of the water evaporates. This knowledge of the bulk phase equilibrium distribution of species, especially the pH should be useful in describing the corrosion processes at the solid liquid boundary. The code does not calculate any changes in oxidation states or any rates of reaction. Therefore, it is incapable of calculating the actual corrosion rates. It is anticipated that it will be used as a subprogram of a larger program that will include the redox reactions and the rates of the reactions. The purpose of the code at this stage is to predict the species distribution at equilibrium in the bulk water phase so as to give insight into the effect different constituents have on the chemistry and hence the potential for corrosion

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

    Science.gov (United States)

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

    2011-01-01

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

  3. Uncertainty and sensitivity analysis in complex plasma chemistry models

    Science.gov (United States)

    Turner, Miles M.

    2016-02-01

    The purpose of a plasma chemistry model is prediction of chemical species densities, including understanding the mechanisms by which such species are formed. These aims are compromised by an uncertain knowledge of the rate constants included in the model, which directly causes uncertainty in the model predictions. We recently showed that this predictive uncertainty can be large—a factor of ten or more in some cases. There is probably no context in which a plasma chemistry model might be used where the existence of uncertainty on this scale could not be a matter of concern. A question that at once follows is: which rate constants cause such uncertainty? In the present paper we show how this question can be answered by applying a systematic screening procedure—the so-called Morris method—to identify sensitive rate constants. We investigate the topical example of the helium-oxygen chemistry. Beginning with a model with almost four hundred reactions, and focussing on conditions relevant to biomedical applications, we show that only about fifty rate constants materially affect the model results, and as few as ten cause most of the uncertainty. This means that the model can be improved, and the uncertainty substantially reduced, by focussing attention on this tractably small set of critical rate constants. We discuss strategies that might be used to accomplish this refinement. The present results apply to a particular chemistry, but we suggest that possibly, and perhaps probably, investigations of other plasma chemistry models will arrive at similar results. In that case, an opportunity exists to systematically improve the quality of plasma chemistry modelling.

  4. Structure and chemistry of model catalysts in ultrahigh vacuum

    Science.gov (United States)

    Walker, Joshua D.

    molecular geometry on electron transport using a range of surface-sensitive techniques. Sulfur-containing molecules, in particular those with sulfur-sulfur linkages, are used as lubricant additives for ferrous surfaces [1-14] so that dialkyl disulfides have been used as simple model compounds to explore the surface and tribological chemistry on iron [15,16] where they react at the high temperatures attained at the interface during rubbing to deposit a ferrous sulfide film. However, the tribological chemistry can depend critically on the nature of the substrate so that a good lubricant additive for one type of surface may not be applicable to another. In particular, the lubrication of sliding copper-copper interfaces in electrical motors [17-20] provides a particular challenge. To study this system surface sensitive techniques Low energy electron diffraction (LEED) and TPD surface analysis was employed. LEED experiments suggest that tribological experiments can be conducted on copper foils rather than copper single crystals and produce comparable results. The ability to produce ideal model catalysts is very important in the Surface science field. To enhance catalytic performance of these catalysts, various strategies can be used in the preparation process. One approach in this quest is to produce an alloy surface that increases the activity of the surface. The process of developing and understanding the chemistry of AuPd alloys was probed in detail using TPD, LEED and Density Functional Theory (DFT).

  5. Imidazole as a pH Probe: An NMR Experiment for the General Chemistry Laboratory

    Science.gov (United States)

    Hagan, William J., Jr.; Edie, Dennis L.; Cooley, Linda B.

    2007-01-01

    The analysis describes an NMR experiment for the general chemistry laboratory, which employs an unknown imidazole solution to measure the pH values. The described mechanism can also be used for measuring the acidity within the isolated cells.

  6. The Impact of Nursing Students' Prior Chemistry Experience on Academic Performance and Perception of Relevance in a Health Science Course

    Science.gov (United States)

    Boddey, Kerrie; de Berg, Kevin

    2015-01-01

    Nursing students have typically found the study of chemistry to be one of their major challenges in a nursing course. This mixed method study was designed to explore how prior experiences in chemistry might impact chemistry achievement during a health science unit. Nursing students (N = 101) studying chemistry as part of a health science unit were…

  7. The link between physics and chemistry in track modelling

    International Nuclear Information System (INIS)

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

  8. Acceleration of the chemistry solver for modeling DI engine combustion using dynamic adaptive chemistry (DAC) schemes

    Science.gov (United States)

    Shi, Yu; Liang, Long; Ge, Hai-Wen; Reitz, Rolf D.

    2010-03-01

    Acceleration of the chemistry solver for engine combustion is of much interest due to the fact that in practical engine simulations extensive computational time is spent solving the fuel oxidation and emission formation chemistry. A dynamic adaptive chemistry (DAC) scheme based on a directed relation graph error propagation (DRGEP) method has been applied to study homogeneous charge compression ignition (HCCI) engine combustion with detailed chemistry (over 500 species) previously using an R-value-based breadth-first search (RBFS) algorithm, which significantly reduced computational times (by as much as 30-fold). The present paper extends the use of this on-the-fly kinetic mechanism reduction scheme to model combustion in direct-injection (DI) engines. It was found that the DAC scheme becomes less efficient when applied to DI engine simulations using a kinetic mechanism of relatively small size and the accuracy of the original DAC scheme decreases for conventional non-premixed combustion engine. The present study also focuses on determination of search-initiating species, involvement of the NOx chemistry, selection of a proper error tolerance, as well as treatment of the interaction of chemical heat release and the fuel spray. Both the DAC schemes were integrated into the ERC KIVA-3v2 code, and simulations were conducted to compare the two schemes. In general, the present DAC scheme has better efficiency and similar accuracy compared to the previous DAC scheme. The efficiency depends on the size of the chemical kinetics mechanism used and the engine operating conditions. For cases using a small n-heptane kinetic mechanism of 34 species, 30% of the computational time is saved, and 50% for a larger n-heptane kinetic mechanism of 61 species. The paper also demonstrates that by combining the present DAC scheme with an adaptive multi-grid chemistry (AMC) solver, it is feasible to simulate a direct-injection engine using a detailed n-heptane mechanism with 543 species

  9. Electron transfer reactions in chemistry. Theory and experiment

    OpenAIRE

    Marcus, Rudolph A.

    1997-01-01

    Since the late 1940s, the field of electron transfer processes has grown enormously, both in chemistry and biology. The development of the field, experimentally and theoretically, as well as its relation to the study of other kinds of chemical reactions, represents to us an intriguing history, one in which many threads have been brought together. In this lecture, some history, recent trends, and my own involvement in this research are described.

  10. Chemistry

    International Nuclear Information System (INIS)

    The chemical research and development efforts related to the design and ultimate operation of molten-salt breeder reactor systems are concentrated on fuel- and coolant-salt chemistry, including the development of analytical methods for use in these systems. The chemistry of tellurium in fuel salt is being studied to help elucidate the role of this element in the intergranular cracking of Hastelloy N. Studies were continued of the effect of oxygen-containing species on the equilibrium between dissolved UF3 and dissolved UF4, and, in some cases, between the dissolved uranium fluorides and graphite, and the UC2. Several aspects of coolant-salt chemistry are under investigation. Hydroxy and oxy compounds that could be formed in molten NaBF4 are being synthesized and characterized. Studies of the chemistry of chromium (III) compounds in fluoroborate melts were continued as part of a systematic investigation of the corrosion of structural alloys by coolant salt. An in-line voltammetric method for determining U4+/U3+ ratios in fuel salt was tested in a forced-convection loop over a six-month period. (LK)

  11. Simulation - modeling - experiment

    International Nuclear Information System (INIS)

    After two workshops held in 2001 on the same topics, and in order to make a status of the advances in the domain of simulation and measurements, the main goals proposed for this workshop are: the presentation of the state-of-the-art of tools, methods and experiments in the domains of interest of the Gedepeon research group, the exchange of information about the possibilities of use of computer codes and facilities, about the understanding of physical and chemical phenomena, and about development and experiment needs. This document gathers 18 presentations (slides) among the 19 given at this workshop and dealing with: the deterministic and stochastic codes in reactor physics (Rimpault G.); MURE: an evolution code coupled with MCNP (Meplan O.); neutronic calculation of future reactors at EdF (Lecarpentier D.); advance status of the MCNP/TRIO-U neutronic/thermal-hydraulics coupling (Nuttin A.); the FLICA4/TRIPOLI4 thermal-hydraulics/neutronics coupling (Aniel S.); methods of disturbances and sensitivity analysis of nuclear data in reactor physics, application to VENUS-2 experimental reactor (Bidaud A.); modeling for the reliability improvement of an ADS accelerator (Biarotte J.L.); residual gas compensation of the space charge of intense beams (Ben Ismail A.); experimental determination and numerical modeling of phase equilibrium diagrams of interest in nuclear applications (Gachon J.C.); modeling of irradiation effects (Barbu A.); elastic limit and irradiation damage in Fe-Cr alloys: simulation and experiment (Pontikis V.); experimental measurements of spallation residues, comparison with Monte-Carlo simulation codes (Fallot M.); the spallation target-reactor coupling (Rimpault G.); tools and data (Grouiller J.P.); models in high energy transport codes: status and perspective (Leray S.); other ways of investigation for spallation (Audoin L.); neutrons and light particles production at intermediate energies (20-200 MeV) with iron, lead and uranium targets (Le Colley F

  12. ETA chemistry experience and assessment on CPP in Korea

    International Nuclear Information System (INIS)

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

  13. An Optimization Model of Molecular Voronoi Cells in Computational Chemistry

    OpenAIRE

    Jiapu Zhang

    2015-01-01

    In computational chemistry or crystallography, we always meet the problem that requires distributing N particles in one square cell with the minimal neighbour distance. Sometimes this problem is with special or complex constraints. This short article will build a molecular optimization model for the problem, and then will show one example of the application of this model.

  14. An Optimization Model of Molecular Voronoi Cells in Computational Chemistry

    Directory of Open Access Journals (Sweden)

    Jiapu Zhang

    2015-06-01

    Full Text Available In computational chemistry or crystallography, we always meet the problem that requires distributing N particles in one square cell with the minimal neighbour distance. Sometimes this problem is with special or complex constraints. This short article will build a molecular optimization model for the problem, and then will show one example of the application of this model.

  15. A teaching intervention for reading laboratory experiments in college-level introductory chemistry

    Science.gov (United States)

    Kirk, Maria Kristine

    The purpose of this study was to determine the effects that a pre-laboratory guide, conceptualized as a "scientific story grammar," has on college chemistry students' learning when they read an introductory chemistry laboratory manual and perform the experiments in the chemistry laboratory. The participants (N = 56) were students enrolled in four existing general chemistry laboratory sections taught by two instructors at a women's liberal arts college. The pre-laboratory guide consisted of eight questions about the experiment, including the purpose, chemical species, variables, chemical method, procedure, and hypothesis. The effects of the intervention were compared with those of the traditional pre-laboratory assignment for the eight chemistry experiments. Measures included quizzes, tests, chemistry achievement test, science process skills test, laboratory reports, laboratory average, and semester grade. The covariates were mathematical aptitude and prior knowledge of chemistry and science processes, on which the groups differed significantly. The study captured students' perceptions of their experience in general chemistry through a survey and interviews with eight students. The only significant differences in the treatment group's performance were in some subscores on lecture items and laboratory items on the quizzes. An apparent induction period was noted, in that significant measures occurred in mid-semester. Voluntary study with the pre-laboratory guide by control students precluded significant differences on measures given later in the semester. The groups' responses to the survey were similar. Significant instructor effects on three survey items were corroborated by the interviews. The researcher's students were more positive about their pre-laboratory tasks, enjoyed the laboratory sessions more, and were more confident about doing chemistry experiments than the laboratory instructor's groups due to differences in scaffolding by the instructors.

  16. SREF - a Simple Removable Epoxy Foam decomposition chemistry model.

    Energy Technology Data Exchange (ETDEWEB)

    Hobbs, Michael L.

    2003-12-01

    A Simple Removable Epoxy Foam (SREF) decomposition chemistry model has been developed to predict the decomposition behavior of an epoxy foam encapsulant exposed to high temperatures. The foam is composed of an epoxy polymer, blowing agent, and surfactant. The model is based on a simple four-step mass loss model using distributed Arrhenius reaction rates. A single reaction was used to describe desorption of the blowing agent and surfactant (BAS). Three of the reactions were used to describe degradation of the polymer. The coordination number of the polymeric lattice was determined from the chemical structure of the polymer; and a lattice statistics model was used to describe the evolution of polymer fragments. The model lattice was composed of sites connected by octamethylcylotetrasiloxane (OS) bridges, mixed product (MP) bridges, and bisphenol-A (BPA) bridges. The mixed products were treated as a single species, but are likely composed of phenols, cresols, and furan-type products. Eleven species are considered in the SREF model - (1) BAS, (2) OS, (3) MP, (4) BPA, (5) 2-mers, (6) 3-mers, (7) 4-mers, (8) nonvolatile carbon residue, (9) nonvolatile OS residue, (10) L-mers, and (11) XL-mers. The first seven of these species (VLE species) can either be in the condensed-phase or gas-phase as determined by a vapor-liquid equilibrium model based on the Rachford-Rice equation. The last four species always remain in the condensed-phase. The 2-mers, 3-mers, and 4-mers are polymer fragments that contain two, three, or four sites, respectively. The residue can contain C, H, N, O, and/or Si. The L-mer fraction consists of polymer fragments that contain at least five sites (5-mer) up to a user defined maximum mer size. The XL-mer fraction consists of polymer fragments greater than the user specified maximum mer size and can contain the infinite lattice if the bridge population is less than the critical bridge population. Model predictions are compared to 133-thermogravimetric

  17. The global impact of supersaturation in a coupled chemistry-climate model

    OpenAIRE

    A. Gettelman; Kinnison, D E

    2007-01-01

    International audience Ice supersaturation is important for understanding condensation in the upper troposphere. Many general circulation models however do not permit supersaturation. In this study, a coupled chemistry climate model, the Whole Atmosphere Community Climate Model (WACCM), is modified to include supersaturation for the ice phase. Rather than a study of a detailed parameterization of supersaturation, the study is intended as a sensitivity experiment, to understand the potentia...

  18. Art, Meet Chemistry; Chemistry, Meet Art: Case Studies, Current Literature, and Instrumental Methods Combined to Create a Hands-On Experience for Nonmajors and Instrumental Analysis Students

    Science.gov (United States)

    Nivens, Delana A.; Padgett, Clifford W.; Chase, Jeffery M.; Verges, Katie J.; Jamieson, Deborah S.

    2010-01-01

    Case studies and current literature are combined with spectroscopic analysis to provide a unique chemistry experience for art history students and to provide a unique inquiry-based laboratory experiment for analytical chemistry students. The XRF analysis method was used to demonstrate to nonscience majors (art history students) a powerful…

  19. Preparation of targets for nuclear chemistry experiments at DANCE

    International Nuclear Information System (INIS)

    In this paper, we describe the separation chemistry and electrodepositions conducted for the preparation of 241Am, 243Am and 233U targets used for cross-section measurements at DANCE. Thick, adherent deposits were prepared using molecular plating from isopropyl alcohol solutions. Improved yields and thicknesses were observed for 241Am electrodeposition after the material was purified using TRU resin from Eichrom. Similarly, 233U deposits were improved after purification with an anion exchange column in 9 M HBr followed by purification using UTEVA resin from Eichrom. (author)

  20. LWR severe accident simulation: Iodine behaviour in FPT2 experiment and advances on containment iodine chemistry

    International Nuclear Information System (INIS)

    experiments and computer codes calculations. Other investigations dealing with primary circuit and sump chemistry are also reported. These could help to scale the results of Phebus-FP tests to reactor accidents. Modelling studies were generally successful when a gaseous iodine injection from the primary circuit was assumed. Indeed, though each of the iodine codes has specific iodine chemistry features that should be further developed and each approach to the modelling is distinct, the overall iodine behaviour in the FPT2 containment is generally well reproduced by the models that predict: •a low final gaseous iodine concentration in the containment atmosphere, •a predominant iodine concentration in the sump and to a lesser extent a significant iodine deposition on containment surfaces. The main code-to-code differences, in the results obtained in gaseous iodine speciation, come from the various treatments of gaseous radiolytic reactions. Calculations that include the radiolytic conversion of volatile iodine into iodine oxide particulate show there is a persistence of both gaseous iodine and iodine oxide particles in the atmosphere. There are also some variations between the predicted organic iodine concentrations that depend mainly on the initial assumptions. A key aspect of the Phebus FPT2 test interpretation is that the long term iodine behaviour in the containment can be explained by exchanges between organic iodide released from painted surfaces and inorganic iodine released from deposited aerosol on the containment walls. Further studies of regulatory significance on sump chemistry showed that the gaseous iodine control that was evident in the Phebus tests through silver release and/or alkaline buffered sump solutions may not be assured. As most of the past iodine aqueous chemistry studies were done with rather pure systems and because of the uncompleted understanding of the gaseous iodine speciation, the results may not be extrapolated easily to conditions of

  1. SOIL CHEMISTRY AND MINERALOGY: SURFACE COMPLEXATION MODELING

    Science.gov (United States)

    Ion adsorption in soils has been described using both empirical and chemical models. Empirical adsorption isotherm equations will be presented and their limitations discussed. Chemical surface complexation models and their applications to soils will be introduced. Advantages and limitations of su...

  2. Selection of authentic modelling practices as contexts for chemistry education

    OpenAIRE

    Prins, Gjalt; Bulte, Astrid M.W.; Pilot, Albert; Driel, Jan van

    2008-01-01

    Abstract In science education, students should come to understand the nature and significance of models. In case of chemistry education it is argued that the present use of models is often not meaningful from the students? perspective. A strategy to overcome this problem is to use an authentic chemical modelling practice as a context for a curriculum unit. The theoretical framework for this strategy is activity theory rooted in sociocultural theories on learning. An authentic chemi...

  3. Radio chemistry as a diagnostic in laser fusion experiments

    International Nuclear Information System (INIS)

    Nuclear chemistry techniques have been employed in an attempt to measure the density of high compression laser fusion targets. Radioactive 28Al atoms formed in the 28Si(n,p)28Al reaction arising from the interaction of the 14 MeV neutrons with the silicon atoms in the glass microsphere have been counted at Lawrence Livermore Laboratory using a β-γ coincidence method. The detection system that is employed allows activities corresponding to 100 aluminum atoms to be measured. From the observed number of activated atoms, neutron yields, and code calculations, information on the density of the compressed fuel can be obtained. This method is particularly valuable when the target compression becomes great enough to prohibit previously employed diagnostic techniques to be used. In addition, technique which utilizes a radioactive tracer to measure the isotropy of the target debris blowoff will also be discussed

  4. Microgravity experiments in the field of physical chemistry in Japan

    International Nuclear Information System (INIS)

    Japan has been operating 'KIBO' ('hope' in Japanese) as Japanese experimental module on ISS (International Space Station) to perform researches on physical, life, medical, space sciences in space. Several research racks and facilities have already been accommodated in the pressurized module of 'KIBO' and some researches have already been carried out. Japan currently has 17 ISS flight projects (including 4 candidates) in the field of physical sciences and also incubates new projects through are search support program named as 'research WG (Working Group)', where 25 research WGs are active in the field of physical sciences. Those include 1 flight candidate and 2 research WGs in the field of physical chemistry. The article introduces those to promote international collaborations.

  5. Chemistry

    International Nuclear Information System (INIS)

    Research progress is reported in programs on fuel-salt chemistry, properties of compounds in the Li--Te system, Te spectroscopy UF4--H equilibria, porous electrode studies of molten salts, fuel salt-coolant salt reactions, thermodynamic properties of transition-metal fluorides, and properties of sodium fluoroborate. Developmental work on analytical methods is summarized including in-line analysis of molten MSBR fuel, analysis of coolant-salts for tritium, analysis of molten LiF--BeF2--ThF4 for Fe and analysis of LiF--BeF--ThF4 for Te

  6. A Process Model for the Comprehension of Organic Chemistry Notation

    Science.gov (United States)

    Havanki, Katherine L.

    2012-01-01

    This dissertation examines the cognitive processes individuals use when reading organic chemistry equations and factors that affect these processes, namely, visual complexity of chemical equations and participant characteristics (expertise, spatial ability, and working memory capacity). A six stage process model for the comprehension of organic…

  7. College Chemistry Students' Mental Models of Acids and Acid Strength

    Science.gov (United States)

    McClary, LaKeisha; Talanquer, Vicente

    2011-01-01

    The central goal of this study was to characterize the mental models of acids and acid strength expressed by advanced college chemistry students when engaged in prediction, explanation, and justification tasks that asked them to rank chemical compounds based on their relative acid strength. For that purpose we completed a qualitative research…

  8. Developments for transactinide chemistry experiments behind the gas-filled separator TASCA

    International Nuclear Information System (INIS)

    Topic of this thesis is the development of experiments behind the gas-filled separator TASCA (TransActinide Separator and Chemistry Apparatus) to study the chemical properties of the transactinide elements. In the first part of the thesis, the electrodepositions of short-lived isotopes of ruthenium and osmium on gold electrodes were studied as model experiments for hassium. From literature it is known that the deposition potential of single atoms differs significantly from the potential predicted by the Nernst equation. This shift of the potential depends on the adsorption enthalpy of therndeposited element on the electrode material. If the adsorption on the electrode-material is favoured over the adsorption on a surface made of the same element as the deposited atom, the electrode potential is shifted to higher potentials. This phenomenon is called underpotential deposition. Possibilities to automatize an electro chemistry experiment behind the gas-filled separator were explored for later studies with transactinide elements. The second part of this thesis is about the in-situ synthesis of transition-metal-carbonyl complexes with nuclear reaction products. Fission products of uranium-235 and californium-249 were produced at the TRIGA Mainz reactor and thermalized in a carbon-monoxide containing atmosphere. The formed volatile metal-carbonyl complexes could be transported in a gas-stream. Furthermore, short-lived isotopes of tungsten, rhenium, osmium, and iridium were synthesised at the linear accelerator UNILAC at GSI Helmholtzzentrum fuer Schwerionenforschung, Darmstadt. The recoiling fusion products were separated from the primary beam and the transfer products in the gas-filled separator TASCA. The fusion products were stopped in the focal plane of TASCA in a recoil transfer chamber. This chamber contained a carbon-monoxide - helium gas mixture. The formed metal-carbonyl complexes could be transported in a gas stream to various experimental setups. All

  9. Operational experience, evolution and developments in water chemistry in Indian Nuclear Power Plants - an overview

    International Nuclear Information System (INIS)

    Lessons learnt from the experiences at nuclear power plants have enriched the understanding of corrosion behaviour in water systems. The need for proper water chemistry control not only during operation but also during fabrication and preoperational tests is clearly seen. It should not be construed that maintenance of proper water chemistry is a panacea for all corrosion and other associated problems. Unless adequate care is taken in selection of material and sound design and fabrication practices are followed, no regime of water chemistry can help in eliminating failure due to corrosion

  10. Educational laboratory experiments on chemistry in a nuclear engineering school

    International Nuclear Information System (INIS)

    An educational laboratory experiment on radiochemistry was investigated by students in the general course of the Nuclear Engineering School of Japan Atomic Energy Research Institute. Most of them are not chemical engineers, but electrical and mechanical engineers. Therefore, the educational experiment was designed for them by introducing a ''word experiment'' in the initial stage and by reducing the chemical procedure as far as possible. It began with calculations on a simple solvent extraction process-the ''word experiment''--followed by the chemical separation of 144Pr from 144Ce with tri-n-butyl phosphate in a nitric acid system and then measurement of the radioactive decay and growth of the separated 144Pr and 144Ce, respectively. The chemical procedure was explained by the phenomenon but not by the mechanism of chelation. Most students thought the experiment was an exercise in solvent extraction or radiochemical separation rather than a radioactive equilibrium experiment. However, a pure chemist considered it as a sort of physical experiment, where the chemical procedure was used only for preparation of measuring samples. Another experiment, where 137Cs was measured after isolation with ammonium phosphomolybdate, was also investigated. The experiment eliminated the need for students who were not chemists to know how to use radioactive tracers. These students appreciated the realization that they could understand the radioactivity in the environmental samples in a chemical frame of reference even though they were not chemists

  11. A coordination chemistry approach for modeling trace element adsorption

    International Nuclear Information System (INIS)

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

  12. On CO2 pertubation experiments: over-determination of carbonate chemistry reveals inconsistencies

    OpenAIRE

    Hoppe, C. J. M.; Langer, G.; S. D. Rokitta; Wolf-Gladrow, D. A.; Rost, B.

    2010-01-01

    Seawater carbonate chemistry is typically calculated from two measured parameters. Depending on the choice of these input parameters, discrepancies in calculated pCO2 have been recognized by marine chemists, but the significance of this phenomenon for CO2 perturbation experiments has so far not been determined. To mimic different pCO2 scenarios, two common perturbation methods for seawater carbonate chemistry (changing either DIC or TA) were applied using state-of-the-art pr...

  13. A quasi chemistry-transport model mode for EMAC

    Directory of Open Access Journals (Sweden)

    R. Deckert

    2010-11-01

    Full Text Available A quasi chemistry-transport model mode (QCTM is presented for the numerical chemistry-climate simulation system ECHAM/MESSy Atmospheric Chemistry (EMAC. It allows for a quantification of chemical signals through suppression of any feedback between chemistry and dynamics. Noise would otherwise interfere too strongly. The signal follows from the difference of two QCTM simulations, reference and sensitivity. These are fed with offline chemical fields as a substitute of the feedbacks between chemistry and dynamics: offline mixing ratios of radiatively active substances enter the radiation scheme (a, offline mixing ratios of nitric acid enter the scheme for re-partitioning and sedimentation from polar stratospheric clouds (b. Offline methane oxidation is the exclusive source of chemical water-vapor tendencies (c. Any set of offline fields suffices to suppress the feedbacks, though may be inconsistent with the simulation setup. An adequate set of offline climatologies can be produced from a non-QCTM simulation of the reference setup. Test simulations reveal the particular importance of adequate offline fields associated with (a. Inconsistencies from (b are negligible when using adequate fields of nitric acid. Acceptably small inconsistencies come from (c, but should vanish for an adequate prescription of water vapor tendencies. Toggling between QCTM and non-QCTM is done via namelist switches and does not require a source code re-compilation.

  14. Modeling the Mechano-Chemistry of NTPases

    Energy Technology Data Exchange (ETDEWEB)

    Xing, J

    2007-02-21

    This project is to develop theoretical framework for protein motors based on experimental data. Protein motors use chemical and electrochemical energies to perform mechanical work. Protein motors are machines of life. They are essential for many biological processes, including cell division, DNA transcription, replication, etc. Understanding the working mechanisms of protein motors has both scientific and medical/clinical significances, including revealing the physiological origins of certain diseases, designing of drugs against pathogens. Experiments with new techniques, especially recent advances in single molecule force measurements, have accumulated a large amount of experimental data that requires systematic theoretical analysis. We worked out a theoretical analysis on protein fluctuations to explain the recent single molecule experiment on dynamic disorders, proposed a new mechanism to explain mechanical signal propagation through the allosteric effect, a fundamental property of proteins, and examined the dynamic disorder effects on protein interaction networks. We also examined various theoretical formulations describing mechanical stress propagation in proteins, and derived mathematical formula for various approximate methods solving the mathematical equations.

  15. An Enzymatic Clinical Chemistry Laboratory Experiment Incorporating an Introduction to Mathematical Method Comparison Techniques

    Science.gov (United States)

    Duxbury, Mark

    2004-01-01

    An enzymatic laboratory experiment based on the analysis of serum is described that is suitable for students of clinical chemistry. The experiment incorporates an introduction to mathematical method-comparison techniques in which three different clinical glucose analysis methods are compared using linear regression and Bland-Altman difference…

  16. Connecting Solubility, Equilibrium, and Periodicity in a Green, Inquiry Experiment for the General Chemistry Laboratory

    Science.gov (United States)

    Cacciatore, Kristen L.; Amado, Jose; Evans, Jason J.; Sevian, Hannah

    2008-01-01

    We present a novel first-year chemistry laboratory experiment that connects solubility, equilibrium, and chemical periodicity concepts. It employs a unique format that asks students to replicate experiments described in different sample lab reports, each lacking some essential information, rather than follow a scripted procedure. This structure is…

  17. Enquiry-Based Learning: Experiences of First Year Chemistry Students Learning Spectroscopy

    Science.gov (United States)

    Lucas, Timothy; Rowley, Natalie M.

    2011-01-01

    We explored the experiences of first year chemistry students of an Enquiry-Based Learning (EBL) approach to learning spectroscopy. An investigation of how students' perceived confidences changed as a result of their experience of using EBL in the spectroscopy course was carried out. Changes in the students' perceived confidence, both in their…

  18. Size Exclusion Chromatography: An Experiment for High School and Community College Chemistry and Biotechnology Laboratory Programs

    Science.gov (United States)

    Brunauer, Linda S.; Davis, Kathryn K.

    2008-01-01

    A simple multiday laboratory exercise suitable for use in a high school or community college chemistry course or a biotechnology advanced placement biology course is described. In this experiment students gain experience in the use of column chromatography as a tool for the separation and characterization of biomolecules, thus expanding their…

  19. GC-MS Analysis of [gamma]-Hydroxybutyric Acid Analogs: A Forensic Chemistry Experiment

    Science.gov (United States)

    Henck, Colin; Nally, Luke

    2007-01-01

    An upper-division forensic chemistry experiment is described. It involves using glycolic acid and sodium glycolate as analogs of [gamma]-hydroxybutyric acid and its sodium salt. The experiment shows the use of silylation in GC-MS analysis and gives students the opportunity to work with a commonly used silylating reagent,…

  20. Lysozyme Thermal Denaturation and Self-Interaction: Four Integrated Thermodynamic Experiments for the Physical Chemistry Laboratory

    Science.gov (United States)

    Schwinefus, Jeffrey J.; Schaefle, Nathaniel J.; Muth, Gregory W.; Miessler, Gary L.; Clark, Christopher A.

    2008-01-01

    As part of an effort to infuse our physical chemistry laboratory with biologically relevant, investigative experiments, we detail four integrated thermodynamic experiments that characterize the denaturation (or unfolding) and self-interaction of hen egg white lysozyme as a function of pH and ionic strength. Students first use Protein Explorer to…

  1. 50-Minute Experiment: Soil Analysis for High School Chemistry Students.

    Science.gov (United States)

    Baruch, Gerard, Ed.; And Others

    1980-01-01

    Lists equipment and materials needed and procedures for analyzing soil, in which secondary school students experience practical applications to acid-base reactions, pH, oxidation-reduction, precipitation and solubility. (CS)

  2. The Heat Capacity of Metals: A Physical Chemistry Experiment.

    Science.gov (United States)

    Shigeishi, R. A.

    1979-01-01

    Presented here are improvements in the original design of an introductory statistical thermodynamics experiment with the result that heat capacities of metals are routinely obtained within ten percent of literature values. (BB)

  3. Understanding atmospheric peroxyformic acid chemistry: observation, modeling and implication

    Directory of Open Access Journals (Sweden)

    H. Liang

    2015-01-01

    Full Text Available The existence and importance of peroxyformic acid (PFA in the atmosphere has been under controversy. We present here, for the first time, the observation data for PFA from four field measurements carried out in China. These data provided powerful evidence that PFA can stay in the atmosphere, typically in dozens of pptv level. The relationship between PFA and other detected peroxides was examined. The results showed that PFA had a strong positive correlation with its homolog, peroxyacetic acid, due to their similar sources and sinks. Through an evaluation of PFA production and removal rates, we proposed that the reactions between peroxyformyl radical (HC(OO2 and formaldehyde or the hydroperoxyl radical (HO2 were likely to be the major source and degradation into formic acid (FA was likely to be the major sink for PFA. Based on a box model evaluation, we proposed that the HC(OO2 and PFA chemistry was a major source for FA under low NOx conditions. Furthermore, it is found that the impact of the HC(OO2 and PFA chemistry on radical cycling was dependent on the yield of HC(OO2 radical from HC(O + O2 reaction. When this yield exceeded 50%, the HC(OO2 and PFA chemistry should not be neglected for calculating the radical budget. To make clear the exact importance of HC(OO2 and PFA chemistry in the atmosphere, further kinetic, field and modeling studies are required.

  4. Discovering Factors that Influence the Decision to Pursue a Chemistry-Related Career: A Comparative Analysis of the Experiences of Non Scientist Adults and Chemistry Teachers in Greece

    Science.gov (United States)

    Salta, Katerina; Gekos, Michael; Petsimeri, Irene; Koulougliotis, Dionysios

    2012-01-01

    This study aims at identifying factors that influence students' choice not to pursue a chemistry-related career by analyzing the experiences of secondary education chemistry teachers in Greece and of Greek adults who have not pursued studies related to science. Data collection was done with the method of individual structured interviews. The…

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

    International Nuclear Information System (INIS)

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

  6. Quantifying atmospheric transport, chemistry, and mixing using a new trajectory-box model and a global atmospheric-chemistry GCM

    Directory of Open Access Journals (Sweden)

    H. Riede

    2009-12-01

    Full Text Available We present a novel method for the quantification of transport, chemistry, and mixing along atmospheric trajectories based on a consistent model hierarchy. The hierarchy consists of the new atmospheric-chemistry trajectory-box model CAABA/MJT and the three-dimensional (3-D global ECHAM/MESSy atmospheric-chemistry (EMAC general circulation model. CAABA/MJT employs the atmospheric box model CAABA in a configuration using the atmospheric-chemistry submodel MECCA (M, the photochemistry submodel JVAL (J, and the new trajectory submodel TRAJECT (T, to simulate chemistry along atmospheric trajectories, which are provided offline. With the same chemistry submodels coupled to the 3-D EMAC model and consistent initial conditions and physical parameters, a unique consistency between the two models is achieved. Since only mixing processes within the 3-D model are excluded from the model consistency, comparisons of results from the two models allow to separate and quantify contributions of transport, chemistry, and mixing along the trajectory pathways. Consistency of transport between the trajectory-box model CAABA/MJT and the 3-D EMAC model is achieved via calculation of kinematic trajectories based on 3-D wind fields from EMAC using the trajectory model LAGRANTO. The combination of the trajectory-box model CAABA/MJT and the trajectory model LAGRANTO can be considered as a Lagrangian chemistry-transport model (CTM moving isolated air parcels. The procedure for obtaining the necessary statistical basis for the quantification method is described as well as the comprehensive diagnostics with respect to chemistry.

    The quantification method presented here allows to investigate the characteristics of transport, chemistry, and mixing in a grid-based 3-D model. The analysis of chemical processes within the trajectory-box model CAABA/MJT is easily extendable to include, for example, the impact of different transport pathways or of mixing processes onto

  7. Modelling the chemistry of star forming filaments

    CERN Document Server

    Seifried, D

    2015-01-01

    We present simulations of star forming filaments incorporating - to our knowledge - the largest chemical network used to date on-the-fly in a 3D-MHD simulation. The network contains 37 chemical species and about 300 selected reaction rates. For this we use the newly developed package KROME (Grassi et al. 2014). We combine the KROME package with an algorithm which allows us to calculate the column density and attenuation of the interstellar radiation field necessary to properly model heating and ionisation rates. Our results demonstrate the feasibility of using such a complex chemical network in 3D-MHD simulations on modern supercomputers. We perform simulations with different strengths of the interstellar radiation field and the cosmic ray ionisation rate. We find that towards the centre of the filaments there is gradual conversion of hydrogen from H^+ over H to H_2 as well as of C^+ over C to CO. Moreover, we find a decrease of the dust temperature towards the centre of the filaments in agreement with recent...

  8. Electrochemistry in a Nutshell: A General Chemistry Experiment.

    Science.gov (United States)

    Baca, Glenn; Lewis, Dennis A.

    1978-01-01

    This experiment uses a nine-chambered plexiglas unit to facilitate rapid construction of galvanic cells and measurement of cell voltage. Using this procedure, a pair of students can construct and obtain the cell voltages of two precipitation cells, three concentration cells, and six redox cells in 30-40 minutes. (BB)

  9. Foam Fractionation of Lycopene: An Undergraduate Chemistry Experiment

    Science.gov (United States)

    Wang, Yan; Zhang, Mingjie; Hu, Yongliang

    2010-01-01

    A novel experiment for the extraction of lycopene from tomato paste by foam fractionation is described. Foam fractionation is a process for separating and concentrating chemicals by utilizing differences in their surface activities. Extraction of lycopene by foam fractionation is a new method that has not been previously reported in the…

  10. Laser-Induced Molecular Fluorescence: A Physical Chemistry Experiment.

    Science.gov (United States)

    Tellinghuisen, Joel

    1981-01-01

    Describes a companion experiment to the experimental study of the di-iodide visible absorption spectrum. Experimental details, interpretation, and data analysis are provided for an analysis of the di-iodide fluorescence excited by a visible laser, using a Raman instrument. (CS)

  11. An Enzyme Kinetics Experiment for the Undergraduate Organic Chemistry Laboratory

    Science.gov (United States)

    Olsen, Robert J.; Olsen, Julie A.; Giles, Greta A.

    2010-01-01

    An experiment using [superscript 1]H NMR spectroscopy to observe the kinetics of the acylase 1-catalyzed hydrolysis of "N"-acetyl-DL-methionine has been developed for the organic laboratory. The L-enantiomer of the reactant is hydrolyzed completely in less than 2 h, and [superscript 1]H NMR spectroscopic data from a single sample can be worked up…

  12. Cation Hydration Constants by Proton NMR: A Physical Chemistry Experiment.

    Science.gov (United States)

    Smith, Robert L.; And Others

    1988-01-01

    Studies the polarization effect on water by cations and anions. Describes an experiment to illustrate the polarization effect of sodium, lithium, calcium, and strontium ions on the water molecule in the hydration spheres of the ions. Analysis is performed by proton NMR. (MVL)

  13. Synthesis and Metalation of a Ligand: An Interdisciplinary Laboratory Experiment for Second-Year Organic and Introductory Inorganic Chemistry Students

    Science.gov (United States)

    Kasting, Benjamin J.; Bowser, Andrew K.; Anderson-Wile, Amelia M.; Wile, Bradley M.

    2015-01-01

    An interdisciplinary laboratory experiment involving second-year undergraduate organic chemistry and introductory inorganic chemistry undergraduate students is described. Organic chemistry students prepare a series of amine-bis(phenols) via a Mannich reaction, and characterize their products using melting point; FTIR; and [superscript 1]H,…

  14. Combined experiment and theory approach in surface chemistry: Stairway to heaven?

    Science.gov (United States)

    Exner, Kai S.; Heß, Franziska; Over, Herbert; Seitsonen, Ari Paavo

    2015-10-01

    In this perspective we discuss how an intimate interaction of experiments with theory is able to deepen our insight into the catalytic reaction system on the molecular level. This strategy is illustrated by discussing various examples from our own research of surface chemistry and model catalysis. The particular examples were carefully chosen to balance the specific strength of both approaches - theory and experiment - and emphasize the benefit of this combined approach. We start with the determination of complex surface structures, where diffraction techniques in combination with theory are clear-cut. The promoter action of alkali metals in heterogeneous catalysis is rationalized with theory and experiment for the case of CO coadsorption. Predictive power of theory is limited as demonstrated with the apparent activity of chlorinated TiO2(110) in the oxidation of HCl: Even if we know all elementary reaction steps of a catalytic reaction mechanism, the overall kinetics may remain elusive and require the application kinetic Monte Carlo simulations. Catalysts are not always stable under reaction conditions and may chemically transform as discussed for the CO oxidation reaction over ruthenium. Under oxidizing reaction conditions ruthenium transforms into RuO2, a process which is hardly understood on the molecular level. Lastly we focus on electrochemical reactions. Here theory is clearly ahead since spectroscopic methods are not available to resolve the processes at the electrode surface.

  15. Recent progress in trans-actinide chemistry: cutting-edge chemistry experiments with heaviest elements

    International Nuclear Information System (INIS)

    Motivated by the recent claims from the Flerov Laboratory of Nuclear Reactions (FLNR) at Dubna, Russia, on the discovery of several long-lived isotopes of elements up to atomic number 118, chemists have started to develop ideas about possible future investigations on chemical properties of these new members of the periodic table. Most of these elements should exhibit chemical properties typical for p-elements. Theoretical calculations indicate that element 114, due to a strong spin-orbit splitting and its filled 7p1/2 subshell, should reveal a rather noble behaviour, possibly being like a noble-gas. The same is already expected for element 112 with its filled 6d10 shell. In the course of previous studies of element 108 (hassium) a technique has been developed to investigate this element in form of its very volatile tetroxide. This technique, called IVO (In-situ Volatilisation and On-line detection) is able to separate continuously and detect on-line and SF-decaying products in a thermo-chromatographic device. IVO was used in recent years to investigate chemical properties of element 112, assumed it to be gaseous in an inert gas and containment (e.g. quartz) at ambient conditions. Since a prediction claimed that this element should interact with noble metal surfaces (e.g. Au) with an adsorption enthalpy between those of the systems Hg on Au and Rn on Au a detector array was built (COLD), composed of PIN diodes covered with a thin Au layer, along which a temperature gradient was applied between room temperature and -185 0C. A first chemical investigation of element 112 performed at FLNR with a slightly different gas chemical technique indicated that this element does not behave like Hg but more like Rn. In two more recent IVO experiments controversial results were obtained. In a first experiment the data were interpreted as an indication for a behaviour of element like Rn and seemed to confirm the data. In a second experiment, however, this observation could not be

  16. Modeling UTLS water vapor: Transport/Chemistry interactions

    International Nuclear Information System (INIS)

    This thesis was initially meant to be a study on the impact on chemistry and climate from UTLS water vapor. However, the complexity of the UTLS water vapor and its recent changes turned out to be a challenge by it self. In the light of this, the overall motivation for the thesis became to study the processes controlling UTLS water vapor and its changes. Water vapor is the most important greenhouse gas, involved in important climate feedback loops. Thus, a good understanding of the chemical and dynamical behavior of water vapor in the atmosphere is crucial for understanding the climate changes in the last century. Additionally, parts of the work was motivated by the development of a coupled climate chemistry model based on the CAM3 model coupled with the Chemical Transport Model Oslo CTM2. The future work will be concentrated on the UTLS water vapor impact on chemistry and climate. We are currently studying long term trends in UTLS water vapor, focusing on identification of the different processes involved in the determination of such trends. The study is based on natural as well as anthropogenic climate forcings. The ongoing work on the development of a coupled climate chemistry model will continue within our group, in collaboration with Prof. Wei-Chyung Wang at the State University of New York, Albany. Valuable contacts with observational groups are established during the work on this thesis. These collaborations will be continued focusing on continuous model validation, as well as identification of trends and new features in UTLS water vapor, and other tracers in this region. (Author)

  17. Eliciting Metacognitive Experiences and Reflection in a Year 11 Chemistry Classroom: An Activity Theory Perspective

    Science.gov (United States)

    Thomas, Gregory P.; McRobbie, Campbell J.

    2013-06-01

    Concerns regarding students' learning and reasoning in chemistry classrooms are well documented. Students' reasoning in chemistry should be characterized by conscious consideration of chemical phenomenon from laboratory work at macroscopic, molecular/sub-micro and symbolic levels. Further, students should develop metacognition in relation to such ways of reasoning about chemistry phenomena. Classroom change eliciting metacognitive experiences and metacognitive reflection is necessary to shift entrenched views of teaching and learning in students. In this study, Activity Theory is used as the framework for interpreting changes to the rules/customs and tools of the activity systems of two different classes of students taught by the same teacher, Frances, who was teaching chemical equilibrium to those classes in consecutive years. An interpretive methodology involving multiple data sources was employed. Frances explicitly changed her pedagogy in the second year to direct students attention to increasingly consider chemical phenomena at the molecular/sub-micro level. Additionally, she asked students not to use the textbook until toward the end of the equilibrium unit and sought to engage them in using their prior knowledge of chemistry to understand their observations from experiments. Frances' changed pedagogy elicited metacognitive experiences and reflection in students and challenged them to reconsider their metacognitive beliefs about learning chemistry and how it might be achieved. While teacher change is essential for science education reform, students are not passive players in change efforts and they need to be convinced of the viability of teacher pedagogical change in the context of their goals, intentions, and beliefs.

  18. A quasi chemistry-transport model mode for EMAC

    Directory of Open Access Journals (Sweden)

    R. Deckert

    2011-03-01

    Full Text Available A quasi chemistry-transport model mode (QCTM is presented for the numerical chemistry-climate simulation system ECHAM/MESSy Atmospheric Chemistry (EMAC. It allows for a quantification of chemical signals through suppression of any feedback between chemistry and dynamics. Noise would otherwise interfere too strongly. The signal is calculated from the difference of two QCTM simulations, a reference simulation and a sensitivity simulation. In order to avoid the feedbacks, the simulations adopt the following offline chemical fields: (a offline mixing ratios of radiatively active substances enter the radiation scheme, (b offline mixing ratios of nitric acid enter the scheme for re-partitioning and sedimentation from polar stratospheric clouds, (c and offline methane oxidation is the exclusive source of chemical water-vapor tendencies. Any set of offline fields suffices to suppress the feedbacks, though may be inconsistent with the simulation setup. An adequate set of offline climatologies can be produced from a non-QCTM simulation using the setup of the reference simulation. Test simulations reveal the particular importance of adequate offline fields associated with (a. Inconsistencies from (b are negligible when using adequate fields of nitric acid. Acceptably small inconsistencies come from (c, but should vanish for an adequate prescription of chemical water vapor tendencies. Toggling between QCTM and non-QCTM is done via namelist switches and does not require a source code re-compilation.

  19. 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

  20. An advanced scheme for wet scavenging and liquid-phase chemistry in a regional online-coupled chemistry transport model

    Directory of Open Access Journals (Sweden)

    C. Knote

    2012-10-01

    Full Text Available Clouds are reaction chambers for atmospheric trace gases and aerosols, and the associated precipitation is a major sink for atmospheric constituents. The regional chemistry-climate model COSMO-ART has been lacking a description of wet scavenging of gases and aqueous-phase chemistry. In this work we present a coupling of COSMO-ART with a wet scavenging and aqueous-phase chemistry scheme. The coupling is made consistent with the cloud microphysics scheme of the underlying meteorological model COSMO. While the choice of the aqueous-chemistry mechanism is flexible, the effects of a simple sulfur oxidation scheme are shown in the application of the coupled system in this work. We give details explaining the coupling and extensions made, then present results from idealized flow-over-hill experiments in a 2-D model setup and finally results from a full 3-D simulation. Comparison against measurement data shows that the scheme efficiently reduces SO2 trace gas concentrations by 0.3 ppbv (−30% on average, while leaving O3 and NOx unchanged. PM10 aerosol mass, which has been overestimated previously, is now in much better agreement with measured values due to a stronger scavenging of coarse particles. While total PM2.5 changes only little, chemical composition is improved notably. Overestimations of nitrate aerosols are reduced by typically 0.5–1 μg m−3 (up to −2 μg m−3 in the Po Valley while sulfate mass is increased by 1–1.5 μg m−3 on average (up to 2.5 μg m−3 in Eastern Europe. The effect of cloud processing of aerosols on its size distribution, i. e. a shift towards larger diameters, is observed. Compared against wet deposition measurements the system underestimates the total wet deposited mass for the simulated case study. We find that while evaporation of cloud droplets dominates in higher altitudes, evaporation of precipitation can

  1. ATTITUDES AND VIEWS OF CHEMICAL ENGINEERING STUDENTS TOWARDS SCHOOL EXPERIENCE AND CHEMISTRY LESSONS IN INDIAN EDUCATION SYSTEM

    OpenAIRE

    Soumya

    2015-01-01

    Chemistry is the backbone for the chemical engineering students. Basic chemistry learnt in schools till 12th standard makes framework for chemical engineering, hence their understanging of chemistry during school education is important. In present paper, the data of 64 students of Chemical Engineering have been collected and analyzed with respect to to their school experience of 10th and 12th standard of school and chemistry lessons learnt during that period

  2. Modeling skills of pre-service chemistry teachers in predicting the structure and properties of inorganic chemistry compounds

    Science.gov (United States)

    Nursa'adah, Euis; Liliasari, Mudzakir, Ahmad

    2016-02-01

    The focus of chemistry is learning about the composition, properties, and transformations of matters. Modeling skills are required to comprehend structure and chemical composition in submicroscopic size. Modeling skills are abilities to produce chemical structure and to explain it into the macroscopic phenomenon and submicroscopic representations. Inorganic chemistry is a study of whole elements in the periodic table and their compounds, except carbon compounds and their derivatives. Knowledge about the structure and properties of chemical substances is a basic model for students in studying inorganic chemistry. Furthermore, students can design and produce to utilize materials needed in their life. This research aimed to describes modeling skills of pre-service chemistry teachers. In order, they are able to determine and synthesize useful materials. The results show that students' modeling skills were in a low level and unable connecting skill categories, even the models of inorganic compounds common. These phenomena indicated that students only describe each element when they learn inorganic chemistry. So that it will make modeling skills of students low. Later, another researches are necessary to develop learning design of inorganic chemistry based on good modeling skills of students.

  3. The global change research center atmospheric chemistry model

    Energy Technology Data Exchange (ETDEWEB)

    Moraes, F.P. Jr.

    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{sub x}, HO{sub x}, NO{sub 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.

  4. Chemistry

    International Nuclear Information System (INIS)

    Research and development activities dealing with the chemical problems related to design and ultimate operation of molten-salt reactor systems are described. An experimental test stand was constructed to expose metallurgical test specimens to Te2 vapor at defined temperatures and deposition rates. To better define the chemistry of fluoroborate coolant, several aspects are being investigated. The behavior of hydroxy and oxy compounds in molten NaBF4 is being investigated to define reactions and compounds that may be involved in corrosion and/or could be involved in methods for trapping tritium. Two corrosion products of Hastelloy N, Na3CrF6 and Na5Cr3F14, were identified from fluoroborate systems. The evaluation of fluoroborate and alternate coolants continued. Research on the behavior of hydrogen and its isotopes is summarized. The solubilities of hydrogen, deuterium, and helium in Li2BeF4 are very low. The sorption of tritium on graphite was found to be significant (a few milligrams of tritium per kilogram of graphite), possibly providing a means of sequestering a portion of the tritium produced. Development of analytical methods continued with emphasis on voltammetric and spectrophotometric techniques for the in-line analysis of corrosion products such as Fe2+ and Cr3+ and the determination of the U3+/U4+ ratio in MSBR fuel salt. Similar studies were conducted with the NaBF4--NaF coolant salt. Information developed during the previous operation of the CSTF has been assessed and used to formulate plans for evaluation of in-line analytical methods in future CSTF operations. Electroanalytical and spectrophotometric research suggests that an electroactive protonic species is present in molten NaBF4--NaF, and that this species rapidly equilibrates with a volatile proton-containing species. Data obtained from the CSTF indicated that tritium was concentrated in the volatile species. (JGB)

  5. An Aerosol Physical Chemistry Model for the Upper Troposphere

    Science.gov (United States)

    Lin, Jin-Sheng

    2001-01-01

    This report is the final report for the Cooperative Agreement NCC2-1000. The tasks outlined in the various proposals are: (1) Development of an aerosol chemistry model; (2) Utilization of satellite measurements of trace gases along with analysis of temperatures and dynamic conditions to understand ice cloud formation, dehydration and sedimentation in the winter polar regions; (3) Comparison of the HALOE and SAGE II time dependencies of the Pinatubo aerosol decay. The publications are attached.

  6. Using advanced surface complexation models for modelling soil chemistry under forests: Solling forest, Germany

    International Nuclear Information System (INIS)

    Various dynamic soil chemistry models have been developed to gain insight into impacts of atmospheric deposition of sulphur, nitrogen and other elements on soil and soil solution chemistry. Sorption parameters for anions and cations are generally calibrated for each site, which hampers extrapolation in space and time. On the other hand, recently developed surface complexation models (SCMs) have been successful in predicting ion sorption for static systems using generic parameter sets. This study reports the inclusion of an assemblage of these SCMs in the dynamic soil chemistry model SMARTml and applies this model to a spruce forest site in Solling Germany. Parameters for SCMs were taken from generic datasets and not calibrated. Nevertheless, modelling results for major elements matched observations well. Further, trace metals were included in the model, also using the existing framework of SCMs. The model predicted sorption for most trace elements well. - Highlights: → Surface complexation models can be well applied in field studies. → Soil chemistry under a forest site is adequately modelled using generic parameters. → The model is easily extended with extra elements within the existing framework. → Surface complexation models can show the linkages between major soil chemistry and trace element behaviour. - Surface complexation models with generic parameters make calibration of sorption superfluous in dynamic modelling of deposition impacts on soil chemistry under nature areas.

  7. Evaluating sediment chemistry and toxicity data using logistic regression modeling

    Science.gov (United States)

    Field, L.J.; MacDonald, D.D.; Norton, S.B.; Severn, C.G.; Ingersoll, C.G.

    1999-01-01

    This paper describes the use of logistic-regression modeling for evaluating matching sediment chemistry and toxicity data. Contaminant- specific logistic models were used to estimate the percentage of samples expected to be toxic at a given concentration. These models enable users to select the probability of effects of concern corresponding to their specific assessment or management objective or to estimate the probability of observing specific biological effects at any contaminant concentration. The models were developed using a large database (n = 2,524) of matching saltwater sediment chemistry and toxicity data for field-collected samples compiled from a number of different sources and geographic areas. The models for seven chemicals selected as examples showed a wide range in goodness of fit, reflecting high variability in toxicity at low concentrations and limited data on toxicity at higher concentrations for some chemicals. The models for individual test endpoints (e.g., amphipod mortality) provided a better fit to the data than the models based on all endpoints combined. A comparison of the relative sensitivity of two amphipod species to specific contaminants illustrated an important application of the logistic model approach.

  8. Preparation of americium targets for nuclear chemistry experiments at DANCE

    International Nuclear Information System (INIS)

    Using 1 gram of 241Am from LANL stocks, the purification steps required to obtain a solution of 241Am from the original material are described. Part of the purified solution was submitted for purity analysis by mass spectrometry, radiochemistry and trace metals analysis. The impurities were expected to be 239Pu and 237Np. A second fraction of this material was used for electroplating three samples onto titanium disks that were suitable for insertion into an instrument package to be placed into the DANCE detector. The purification methods used, the electroplating setup and the solutions to various problems that were encountered in making these targets are discussed. The analytical results are discussed as well as the yields from the electrodeposition process. Comparison of these yields with those from similar experiments utilizing 235U and 243Am are also discussed. (author)

  9. Solvent-Free Wittig Reaction: A Green Organic Chemistry Laboratory Experiment

    Science.gov (United States)

    Leung, Sam H.; Angel, Stephen A.

    2004-01-01

    Some Wittig reactions can be carried out by grinding the reactants in a mortar with a pestle for about 20 minutes, as per investigation. A laboratory experiment involving a solvent-free Wittig reaction that can be completed in a three-hour sophomore organic chemistry laboratory class period, are developed.

  10. Application of Calibrated Peer Review (CPR) Writing Assignments to Enhance Experiments with an Environmental Chemistry Focus

    Science.gov (United States)

    Margerum, Lawrence D.; Gulsrud, Maren; Manlapez, Ronald; Rebong, Rachelle; Love, Austin

    2007-01-01

    The browser-based software program, Calibrated Peer Review (CPR) developed by the Molecular Science Project enables instructors to create structured writing assignments in which students learn by writing and reading for content. Though the CPR project covers only one experiment in general chemistry, it might provide lab instructors with a method…

  11. X-Ray Diffraction of Intermetallic Compounds: A Physical Chemistry Laboratory Experiment

    Science.gov (United States)

    Varberg, Thomas D.; Skakuj, Kacper

    2015-01-01

    Here we describe an experiment for the undergraduate physical chemistry laboratory in which students synthesize the intermetallic compounds AlNi and AlNi3 and study them by X-ray diffractometry. The compounds are synthesized in a simple one-step reaction occurring in the solid state. Powder X-ray diffractograms are recorded for the two compounds…

  12. Molecular Orbitals of NO, NO[superscript+], and NO[superscript-]: A Computational Quantum Chemistry Experiment

    Science.gov (United States)

    Orenha, Renato P.; Galembeck, Sérgio E.

    2014-01-01

    This computational experiment presents qualitative molecular orbital (QMO) and computational quantum chemistry exercises of NO, NO[superscript+], and NO[superscript-]. Initially students explore several properties of the target molecules by Lewis diagrams and the QMO theory. Then, they compare qualitative conclusions with EHT and DFT calculations…

  13. Determination of Mercury in Milk by Cold Vapor Atomic Fluorescence: A Green Analytical Chemistry Laboratory Experiment

    Science.gov (United States)

    Armenta, Sergio; de la Guardia, Miguel

    2011-01-01

    Green analytical chemistry principles were introduced to undergraduate students in a laboratory experiment focused on determining the mercury concentration in cow and goat milk. In addition to traditional goals, such as accuracy, precision, sensitivity, and limits of detection in method selection and development, attention was paid to the…

  14. Absorption and Scattering Coefficients: A Biophysical-Chemistry Experiment Using Reflectance Spectroscopy

    Science.gov (United States)

    Cordon, Gabriela B.; Lagorio, M. Gabriela

    2007-01-01

    A biophysical-chemistry experiment, based on the reflectance spectroscopy for calculating the absorption and scattering coefficients of leaves is described. The results show that different plants species exhibit different values for both the coefficients because of their different pigment composition.

  15. Coloring a Superabsorbent Polymer with Metal Ions: An Undergraduate Chemistry Experiment

    Science.gov (United States)

    Yaung, Jing-Fun; Chen, Yueh-Huey

    2009-01-01

    A novel undergraduate chemistry experiment involving superabsorbent polymers commonly used in diapers and other personal care products is described. Students observe the removal of divalent transition-metal ions from aqueous solutions by the polymers. With the procedures provided, students are able to color the superabsorbent polymers with metal…

  16. Assessment of Antioxidant Capacities in Foods: A Research Experience for General Chemistry Students

    Science.gov (United States)

    Hoch, Matthew A.; Russell, Cianan B.; Steffen, Debora M.; Weaver, Gabriela C.; Burgess, John R.

    2009-01-01

    With the booming interest in health food and nutrition, investigations of the antioxidant capacities of various foods have come to the forefront of food science. This general chemistry laboratory curriculum provides students with an opportunity to design and implement their own experiments relating to antioxidants in food. The curriculum is six…

  17. A Cost-Effective Two-Part Experiment for Teaching Introductory Organic Chemistry Techniques

    Science.gov (United States)

    Sadek, Christopher M.; Brown, Brenna A.; Wan, Hayley

    2011-01-01

    This two-part laboratory experiment is designed to be a cost-effective method for teaching basic organic laboratory techniques (recrystallization, thin-layer chromatography, column chromatography, vacuum filtration, and melting point determination) to large classes of introductory organic chemistry students. Students are exposed to different…

  18. An Attenuated Total Reflectance Sensor for Copper: An Experiment for Analytical or Physical Chemistry

    Science.gov (United States)

    Shtoyko, Tanya; Zudans, Imants; Seliskar, Carl J.; Heineman, William R.; Richardson, John N.

    2004-01-01

    A sensor experiment which can be applied to advanced undergraduate laboratory course in physical or analytical chemistry is described along with certain concepts like the demonstration of chemical sensing, preparation of thin films on a substrate, microtitration, optical determination of complex ion stoichiometry and isosbestic point. It is seen…

  19. Experience with maintenance of feed-water chemistry for FBTR once through steam generator

    International Nuclear Information System (INIS)

    Once through steam generators utilised for fast reactors are critical components requiring stringent control on water quality. This paper details the experience in maintenance of feed water chemistry during various phases of power operation in fast breeder test reactor (FBTR). (author). 1 ref., 2 figs., 1 tab

  20. Chemistry Laboratory--A Self-Paced Project Approach with Traditional Experiments.

    Science.gov (United States)

    Faber, Gary C.; Martin, Elizabeth M.

    1983-01-01

    Citing problems with a traditional introductory chemistry laboratory program, discusses a two-semester, project-oriented laboratory program using traditional experiments. A series of slide/tape programs discussing/illustrating potentially difficult concepts and techniques is used to facilitate instruction. Includes list of topics covered in the…

  1. Liquid-Liquid Extraction of Insecticides from Juice: An Analytical Chemistry Laboratory Experiment

    Science.gov (United States)

    Radford, Samantha A.; Hunter, Ronald E., Jr.; Barr, Dana Boyd; Ryan, P. Barry

    2013-01-01

    A laboratory experiment was developed to target analytical chemistry students and to teach them about insecticides in food, sample extraction, and cleanup. Micro concentrations (sub-microgram/mL levels) of 12 insecticides spiked into apple juice samples are extracted using liquid-liquid extraction and cleaned up using either a primary-secondary…

  2. Analysis of a Natural Yellow Dye: An Experiment for Analytical Organic Chemistry

    NARCIS (Netherlands)

    Villela, A.; Derksen, G.C.H.; Beek, van T.A.

    2014-01-01

    This experiment exposes second-year undergraduate students taking a course in analytical organic chemistry to high-performance liquid chromatography (HPLC) and quantitative analysis using the internal standard method. This is accomplished using the real-world application of natural dyes for textiles

  3. Transitioning from Expository Laboratory Experiments to Course-Based Undergraduate Research in General Chemistry

    Science.gov (United States)

    Clark, Ted M.; Ricciardo, Rebecca; Weaver, Tyler

    2016-01-01

    General chemistry courses predominantly use expository experiments that shape student expectations of what a laboratory activity entails. Shifting within a semester to course-based undergraduate research activities that include greater decision-making, collaborative work, and "messy" real-world data necessitates a change in student…

  4. An Environmental Chemistry Experiment: The Determination of Radon Levels in Water.

    Science.gov (United States)

    Welch, Lawrence E.; Mossman, Daniel M.

    1994-01-01

    Describes a radiation experiment developed to complement a new environmental chemistry laboratory curriculum. A scintillation counter is used to measure radon in water. The procedure relies on the fact that toluene will preferentially extract radon from water. Sample preparation is complete in less than 90 minutes. Because the level of…

  5. Nitration of Phenols Using Cu(NO[subscript 3])[subscript 2]: Green Chemistry Laboratory Experiment

    Science.gov (United States)

    Yadav, Urvashi; Mande, Hemant; Ghalsasi, Prasanna

    2012-01-01

    An easy-to-complete, microwave-assisted, green chemistry, electrophilic nitration method for phenol using Cu(NO[subscript 3])[subscript 2] in acetic acid is discussed. With this experiment, students clearly understand the mechanism underlying the nitration reaction in one laboratory session. (Contains 4 schemes.)

  6. Solventless and One-Pot Synthesis of Cu(II) Phthalocyanine Complex: A Green Chemistry Experiment

    Science.gov (United States)

    Sharma, R. K.; Sharma, Chetna; Sidhwani, Indu Tucker

    2011-01-01

    With the growing awareness of green chemistry, it is increasingly important for students to understand this concept in the context of laboratory experiments. Although microwave-assisted organic synthesis has become a common and invaluable technique in recent years, there have been few procedures published for microwave-assisted inorganic synthesis…

  7. Measurement of the Compressibility Factor of Gases: A Physical Chemistry Laboratory Experiment

    Science.gov (United States)

    Varberg, Thomas D.; Bendelsmith, Andrew J.; Kuwata, Keith T.

    2011-01-01

    In this article, we describe an experiment for the undergraduate physical chemistry laboratory in which students measure the compressibility factor of two gases, helium and carbon dioxide, as a function of pressure at constant temperature. The experimental apparatus is relatively inexpensive to construct and is described and diagrammed in detail.…

  8. A Stopped-Flow Kinetics Experiment for the Physical Chemistry Laboratory Using Noncorrosive Reagents

    Science.gov (United States)

    Prigodich, Richard V.

    2014-01-01

    Stopped-flow kinetics techniques are important to the study of rapid chemical and biochemical reactions. Incorporation of a stopped-flow kinetics experiment into the physical chemistry laboratory curriculum would therefore be an instructive addition. However, the usual reactions studied in such exercises employ a corrosive reagent that can over…

  9. Developments for transactinide chemistry experiments behind the gas-filled separator TASCA

    Energy Technology Data Exchange (ETDEWEB)

    Even, Julia

    2011-12-13

    Topic of this thesis is the development of experiments behind the gas-filled separator TASCA (TransActinide Separator and Chemistry Apparatus) to study the chemical properties of the transactinide elements. In the first part of the thesis, the electrodepositions of short-lived isotopes of ruthenium and osmium on gold electrodes were studied as model experiments for hassium. From literature it is known that the deposition potential of single atoms differs significantly from the potential predicted by the Nernst equation. This shift of the potential depends on the adsorption enthalpy of therndeposited element on the electrode material. If the adsorption on the electrode-material is favoured over the adsorption on a surface made of the same element as the deposited atom, the electrode potential is shifted to higher potentials. This phenomenon is called underpotential deposition. Possibilities to automatize an electro chemistry experiment behind the gas-filled separator were explored for later studies with transactinide elements. The second part of this thesis is about the in-situ synthesis of transition-metal-carbonyl complexes with nuclear reaction products. Fission products of uranium-235 and californium-249 were produced at the TRIGA Mainz reactor and thermalized in a carbon-monoxide containing atmosphere. The formed volatile metal-carbonyl complexes could be transported in a gas-stream. Furthermore, short-lived isotopes of tungsten, rhenium, osmium, and iridium were synthesised at the linear accelerator UNILAC at GSI Helmholtzzentrum fuer Schwerionenforschung, Darmstadt. The recoiling fusion products were separated from the primary beam and the transfer products in the gas-filled separator TASCA. The fusion products were stopped in the focal plane of TASCA in a recoil transfer chamber. This chamber contained a carbon-monoxide - helium gas mixture. The formed metal-carbonyl complexes could be transported in a gas stream to various experimental setups. All

  10. Modelling the sulphur chemistry evolution in Orion KL

    CERN Document Server

    Esplugues, G B; Goicoechea, J R; Cernicharo, J

    2014-01-01

    We study the sulphur chemistry evolution in the Orion KL along the gas and grain phases of the cloud. We investigate the processes that dominate the sulphur chemistry and to determine how physical and chemical parameters, such as the final star mass and the initial elemental abundances, influence the evolution of the hot core and of the surrounding outflows and shocked gas (the plateau). We independently modelled the chemistry evolution of both components using the time-dependent gas-grain model UCL_CHEM and considering two different phase calculations. Phase I starts with the collapsing cloud and the depletion of atoms and molecules onto grain surfaces. Phase II starts when a central protostar is formed and the evaporation from grains takes place. We show how the gas density, the gas depletion efficiency, the initial sulphur abundance, the shocked gas temperature and the different chemical paths on the grains leading to different reservoirs of sulphur on the mantles affect sulphur-bearing molecules at differ...

  11. Solving vertical transport and chemistry in air pollution models

    International Nuclear Information System (INIS)

    For the time integration of stiff transport-chemistry problems from air pollution modelling, standard ODE solvers are not feasible due to the large number of species and the 3D nature. The popular alternative, standard operator splitting, introduces artificial transients for short-lived species. This complicates the chemistry solution, easily causing large errors for such species. In the framework of an operational global air pollution model, we focus on the problem formed by chemistry and vertical transport, which is based on diffusion, cloud-related vertical winds, and wet deposition. Its specific nature leads to full Jacobian matrices, ruling out standard implicit integration. We compare Strang operator splitting with two alternatives: source splitting and an (unsplit) Rosenbrock method with approximate matrix factorization, all having equal computational cost. The comparison is performed with real data. All methods are applied with half-hour time steps, and give good accuracies. Rosenbrock is the most accurate, and source splitting is more accurate than Strang splitting. Splitting errors concentrate in short-lived species sensitive to solar radiation and species with strong emissions and depositions. 30 refs

  12. Computational Tools To Model Halogen Bonds in Medicinal Chemistry.

    Science.gov (United States)

    Ford, Melissa Coates; Ho, P Shing

    2016-03-10

    The use of halogens in therapeutics dates back to the earliest days of medicine when seaweed was used as a source of iodine to treat goiters. The incorporation of halogens to improve the potency of drugs is now fairly standard in medicinal chemistry. In the past decade, halogens have been recognized as direct participants in defining the affinity of inhibitors through a noncovalent interaction called the halogen bond or X-bond. Incorporating X-bonding into structure-based drug design requires computational models for the anisotropic distribution of charge and the nonspherical shape of halogens, which lead to their highly directional geometries and stabilizing energies. We review here current successes and challenges in developing computational methods to introduce X-bonding into lead compound discovery and optimization during drug development. This fast-growing field will push further development of more accurate and efficient computational tools to accelerate the exploitation of halogens in medicinal chemistry. PMID:26465079

  13. Modelling Urban Experiences

    DEFF Research Database (Denmark)

    Jantzen, Christian; Vetner, Mikael

    2008-01-01

    How can urban designers develop an emotionally satisfying environment not only for today's users but also for coming generations? Which devices can they use to elicit interesting and relevant urban experiences? This paper attempts to answer these questions by analyzing the design of Zuidas, a new...

  14. Analyzing Students' Understanding of Models and Modeling Referring to the Disciplines Biology, Chemistry, and Physics

    Science.gov (United States)

    Krell, Moritz; Reinisch, Bianca; Krüger, Dirk

    2015-06-01

    In this study, secondary school students' ( N = 617; grades 7 to 10) understanding of models and modeling was assessed using tasks which explicitly refer to the scientific disciplines of biology, chemistry, and physics and, as a control, to no scientific discipline. The students' responses are interpreted as their biology-, chemistry-, and physics-related or general understanding of models and modeling. A subpopulation ( N = 115; one class per grade) was subsequently asked which models they had in mind when answering the tasks referring to biology, chemistry, and physics (open-ended questions). The findings show significant differences between students' biology-, chemistry-, and physics-related understandings of models and modeling. Based on a theoretical framework, the biology-related understanding can be seen as less elaborated than the physics- and chemistry-related understandings. The students' general understanding of models and modeling is located between the biology- and the physics-related understandings. Answers to the open-ended questions indicate that students primarily think about scale and functional models in the context of biology tasks. In contrast, more abstract models (e.g., analogical models, diagrams) were mentioned in relation to chemistry and physics tasks. In sum, the findings suggest that models may be used in a rather descriptive way in biology classes but in a predictive way in chemistry and physics classes. This may explain discipline-specific understandings of models and modeling. Only small differences were found in students' understanding of models and modeling between the different grade levels 7/8 and 9/10.

  15. Technical Note: A trace gas climatology derived from the Atmospheric Chemistry Experiment Fourier Transform Spectrometer dataset

    Directory of Open Access Journals (Sweden)

    A. Jones

    2011-11-01

    Full Text Available The Atmospheric Chemistry Experiment-Fourier Transform Spectrometer (ACE-FTS aboard the Canadian satellite SCISAT (launched in August 2003 was designed to investigate the composition of the upper troposphere, stratosphere, and mesosphere. ACE-FTS utilizes solar occultation to measure temperature and pressure as well as vertical profiles of over thirty chemical species including O3, H2O, CH4, N2O, CO, NO, NO2, N2O5, HNO3, HCl, ClONO2, CCl3F, CCl2F2, and HF. Global coverage for each species is obtained approximately over a three month period and measurements are made with a vertical resolution of typically 3–4 km. A quality-controlled climatology has been created for each of these 14 baseline species, where individual profiles are averaged over the period of February 2004 to February 2009. Measurements used are from the ACE-FTS version 2.2 data set including updates for O3 and N2O5. The climatological fields are provided on a monthly and three-monthly basis (DJF, MAM, JJA, SON at 5 degree latitude and equivalent latitude spacing and on 28 pressure surfaces (26 of which are defined by the Stratospheric Processes And their Role in Climate (SPARC Chemistry Climate Model validation activity. The ACE-FTS climatological dataset is available through the ACE website.

  16. Evaluation of radiation scheme performance within chemistry climate models

    OpenAIRE

    Forster, P. M.; Mayer, B.; et, al.

    2011-01-01

    This paper evaluates global mean radiatively important properties of chemistry climate models (CCMs). We evaluate stratospheric temperatures and their 1980�2000 trends, January clear sky irradiances, heating rates, and greenhouse gas radiative forcings from an offline comparison of CCM radiation codes with line�by�line models, and CCMs� representation of the solar cycle. CCM global mean temperatures and their change can give an indication of errors in radiative trans...

  17. Simulation - modeling - experiment; Simulation - modelisation - experience

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2004-07-01

    After two workshops held in 2001 on the same topics, and in order to make a status of the advances in the domain of simulation and measurements, the main goals proposed for this workshop are: the presentation of the state-of-the-art of tools, methods and experiments in the domains of interest of the Gedepeon research group, the exchange of information about the possibilities of use of computer codes and facilities, about the understanding of physical and chemical phenomena, and about development and experiment needs. This document gathers 18 presentations (slides) among the 19 given at this workshop and dealing with: the deterministic and stochastic codes in reactor physics (Rimpault G.); MURE: an evolution code coupled with MCNP (Meplan O.); neutronic calculation of future reactors at EdF (Lecarpentier D.); advance status of the MCNP/TRIO-U neutronic/thermal-hydraulics coupling (Nuttin A.); the FLICA4/TRIPOLI4 thermal-hydraulics/neutronics coupling (Aniel S.); methods of disturbances and sensitivity analysis of nuclear data in reactor physics, application to VENUS-2 experimental reactor (Bidaud A.); modeling for the reliability improvement of an ADS accelerator (Biarotte J.L.); residual gas compensation of the space charge of intense beams (Ben Ismail A.); experimental determination and numerical modeling of phase equilibrium diagrams of interest in nuclear applications (Gachon J.C.); modeling of irradiation effects (Barbu A.); elastic limit and irradiation damage in Fe-Cr alloys: simulation and experiment (Pontikis V.); experimental measurements of spallation residues, comparison with Monte-Carlo simulation codes (Fallot M.); the spallation target-reactor coupling (Rimpault G.); tools and data (Grouiller J.P.); models in high energy transport codes: status and perspective (Leray S.); other ways of investigation for spallation (Audoin L.); neutrons and light particles production at intermediate energies (20-200 MeV) with iron, lead and uranium targets (Le Colley F

  18. 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

    2015-09-01

    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 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

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

    Science.gov (United States)

    Peng, Z.; Day, D. A.; Ortega, A. M.; Palm, B. B.; Hu, W. W.; Stark, H.; Li, R.; Tsigaridis, K.; Brune, W. H.; Jimenez, J. L.

    2015-09-01

    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

  20. A fast stratospheric chemistry solver: the E4CHEM submodel for the atmospheric chemistry global circulation model EMAC

    Directory of Open Access Journals (Sweden)

    A. J. G. Baumgaertner

    2010-02-01

    Full Text Available The atmospheric chemistry general circulation model ECHAM5/MESSy (EMAC and the atmospheric chemistry box model CAABA are extended by a computationally very efficient submodel for atmospheric chemistry, E4CHEM. It focuses on stratospheric chemistry but also includes background tropospheric chemistry. It is based on the chemistry of MAECHAM4-CHEM and is intended to serve as a simple and fast alternative to the flexible but also computationally more demanding submodel MECCA. In a model setup with E4CHEM, EMAC is now also suitable for simulations of longer time scales. The reaction mechanism contains basic O3, CH4, CO, HOx, NOx and ClOx gas phase chemistry. In addition, E4CHEM includes optional fast routines for heterogeneous reactions on sulphate aerosols and polar stratospheric clouds (substituting the existing submodels PSC and HETCHEM, and scavenging (substituting the existing submodel SCAV. We describe the implementation of E4CHEM into the MESSy structure of CAABA and EMAC. For some species the steady state in the box model differs by up to 100% when compared to results from CAABA/MECCA due to different reaction rates. After an update of the reaction rates in E4CHEM the mixing ratios in both boxmodel and 3-D model simulations are in satisfactory agreement with the results from a simulation where MECCA with a similar chemistry scheme was employed. Finally, a comparison against a simulation with a more complex and already evaluated chemical mechanism is presented in order to discuss shortcomings associated with the simplification of the chemical mechanism.

  1. Fitting It All In: Adapting a Green Chemistry Extraction Experiment for Inclusion in an Undergraduate Analytical Laboratory

    Science.gov (United States)

    Buckley, Heather L.; Beck, Annelise R.; Mulvihill, Martin J.; Douskey, Michelle C.

    2013-01-01

    Several principles of green chemistry are introduced through this experiment designed for use in the undergraduate analytical chemistry laboratory. An established experiment of liquid CO2 extraction of D-limonene has been adapted to include a quantitative analysis by gas chromatography. This facilitates drop-in incorporation of an exciting…

  2. Gridded global surface ozone metrics for atmospheric chemistry model evaluation

    Directory of Open Access Journals (Sweden)

    E. D. Sofen

    2015-07-01

    Full Text Available The concentration of ozone at the Earth's surface is measured at many locations across the globe for the purposes of air quality monitoring and atmospheric chemistry research. We have brought together all publicly available surface ozone observations from online databases from the modern era to build a consistent dataset for the evaluation of chemical transport and chemistry-climate (Earth System models for projects such as the Chemistry-Climate Model Initiative and Aer-Chem-MIP. From a total dataset of approximately 6600 sites and 500 million hourly observations from 1971–2015, approximately 2200 sites and 200 million hourly observations pass screening as high-quality sites in regional background locations that are appropriate for use in global model evaluation. There is generally good data volume since the start of air quality monitoring networks in 1990 through 2013. Ozone observations are biased heavily toward North America and Europe with sparse coverage over the rest of the globe. This dataset is made available for the purposes of model evaluation as a set of gridded metrics intended to describe the distribution of ozone concentrations on monthly and annual timescales. Metrics include the moments of the distribution, percentiles, maximum daily eight-hour average (MDA8, SOMO35, AOT40, and metrics related to air quality regulatory thresholds. Gridded datasets are stored as netCDF-4 files and are available to download from the British Atmospheric Data Centre (doi:10.5285/08fbe63d-fa6d-4a7a-b952-5932e3ab0452. We provide recommendations to the ozone measurement community regarding improving metadata reporting to simplify ongoing and future efforts in working with ozone data from disparate networks in a consistent manner.

  3. Gridded global surface ozone metrics for atmospheric chemistry model evaluation

    Science.gov (United States)

    Sofen, E. D.; Bowdalo, D.; Evans, M. J.; Apadula, F.; Bonasoni, P.; Cupeiro, M.; Ellul, R.; Galbally, I. E.; Girgzdiene, R.; Luppo, S.; Mimouni, M.; Nahas, A. C.; Saliba, M.; Tørseth, K.

    2016-02-01

    The concentration of ozone at the Earth's surface is measured at many locations across the globe for the purposes of air quality monitoring and atmospheric chemistry research. We have brought together all publicly available surface ozone observations from online databases from the modern era to build a consistent data set for the evaluation of chemical transport and chemistry-climate (Earth System) models for projects such as the Chemistry-Climate Model Initiative and Aer-Chem-MIP. From a total data set of approximately 6600 sites and 500 million hourly observations from 1971-2015, approximately 2200 sites and 200 million hourly observations pass screening as high-quality sites in regionally representative locations that are appropriate for use in global model evaluation. There is generally good data volume since the start of air quality monitoring networks in 1990 through 2013. Ozone observations are biased heavily toward North America and Europe with sparse coverage over the rest of the globe. This data set is made available for the purposes of model evaluation as a set of gridded metrics intended to describe the distribution of ozone concentrations on monthly and annual timescales. Metrics include the moments of the distribution, percentiles, maximum daily 8-hour average (MDA8), sum of means over 35 ppb (daily maximum 8-h; SOMO35), accumulated ozone exposure above a threshold of 40 ppbv (AOT40), and metrics related to air quality regulatory thresholds. Gridded data sets are stored as netCDF-4 files and are available to download from the British Atmospheric Data Centre (doi: 10.5285/08fbe63d-fa6d-4a7a-b952-5932e3ab0452). We provide recommendations to the ozone measurement community regarding improving metadata reporting to simplify ongoing and future efforts in working with ozone data from disparate networks in a consistent manner.

  4. Bridging experiments, models and simulations

    DEFF Research Database (Denmark)

    Carusi, Annamaria; Burrage, Kevin; Rodríguez, Blanca

    2012-01-01

    study aims at informing strategies for validation by elucidating the complex interrelations among experiments, models, and simulations in cardiac electrophysiology. We describe the processes, data, and knowledge involved in the construction of whole ventricular multiscale models of cardiac...... electrophysiology. Our analysis reveals that models, simulations, and experiments are intertwined, in an assemblage that is a system itself, namely the model-simulation-experiment (MSE) system. We argue that validation is part of the whole MSE system and is contingent upon 1) understanding and coping with sources...

  5. Photolysis of 4-Phenyl-1,3-dioxolan-2-one: An Undergraduate Experiment in Free Radical Chemistry.

    Science.gov (United States)

    White, Rick C.; Ma, Sha

    1988-01-01

    Describes a photochemistry experiment designed to introduce photochemical techniques and experience free radical chemistry. Selects Nuclear Magnetic Resonance spectroscopy for the analysis. This activity is suggested for use in an upper level undergraduate organic course. (MVL)

  6. Molecular Motion in Frustrated Lewis Pair Chemistry: insights from modelling

    OpenAIRE

    Pu, Maoping

    2015-01-01

    Mechanisms of reactions of the frustrated Lewis pairs (FLPs) with carbon dioxide (CO2) and hydrogen (H2) are studied by using quantum chemical modelling. FLPs are relatively novel chemical systems in which steric effects prevent a Lewis base (LB) from donating its electron pair to a Lewis acid (LA). From the main group of the periodic table, a variety of the electron pair donors and acceptors can create an FLP and the scope of the FLP chemistry is rapidly expanding at present. Representative ...

  7. Application of modeling to local chemistry in PWR steam generators

    International Nuclear Information System (INIS)

    Localized corrosion of the SG tubes and other components is due to the presence of an aggressive environment in local crevices and occluded regions. In crevices and on vertical and horizontal tube surfaces, corrosion products and particulate matter can accumulate in the form of porous deposits. The SG water contains impurities at extremely low levels (ppb). Low levels of non-volatile impurities, however, can be efficiently concentrated in crevices and sludge piles by a thermal hydraulic mechanism. The temperature gradient across the SG tube coupled with local flow starvation, produces local boiling in the sludge and crevices. Since mass transfer processes are inhibited in these geometries, the residual liquid becomes enriched in many of the species present in the SG water. The resulting concentrated solutions have been shown to be aggressive and can corrode the SG materials. This corrosion may occur under various conditions which result in different types of attack such as pitting, stress corrosion cracking, wastage and denting. A major goal of EPRI's research program has been the development of models of the concentration process and the resulting chemistry. An improved understanding should eventually allow utilities to reduce or eliminate the corrosion by the appropriate manipulation of the steam generator water chemistry and or crevice conditions. The application of these models to experimental data obtained for prototypical SG tube support crevices is described in this paper. The models adequately describe the key features of the experimental data allowing extrapolations to be made to plant conditions. (author)

  8. A robust model for pore-water chemistry of clayrock

    Science.gov (United States)

    Gaucher, E. C.; Tournassat, C.; Pearson, F. J.; Blanc, P.; Crouzet, C.; Lerouge, C.; Altmann, S.

    2009-11-01

    The chemistry of pore water is an important property of clayrocks being considered as host rocks for long-term storage of radioactive waste. It may be difficult, if not impossible, to obtain water samples for chemical analysis from such rocks because of their low hydraulic conductivity. This paper presents an approach for calculating the pore-water compositions of clayrocks from laboratory-measured properties of core samples, including their leachable Cl and SO 4 concentrations and analysed exchangeable cations, and from mineral and cation exchange equilibria based on the formation mineralogy. New core sampling and analysis procedures are presented that reduce or quantify side reactions such as sample oxidation (e.g. pyrite) and soluble mineral dissolution (celestite, SrSO 4) that affect measured SO 4 concentrations and exchangeable cation distributions. The model considers phase equilibria only with minerals that are observed in the formation including the principal clay phases. The model has been used to calculate the composition of mobile pore water in the Callovo-Oxfordian clayrock and validated against measurements of water chemistry made in an underground research laboratory in that formation. The model reproduces the measured, in situ pore-water composition without any estimated parameters. All required parameters can be obtained from core sample analysis. We highlight the need to consider only those mineral phases which can be shown to be in equilibrium with contacting pore water. The consequence of this is that some conceptual models available in the literature appear not to be appropriate for modelling clayrocks, particularly those considering high temperature and/or high pressure detrital phases as chemical buffers of pore water. The robustness of our model with respect to uncertainties in the log K values of clay phases is also demonstrated. Large uncertainties in log K values for clay minerals have relatively small effects on modelled pore

  9. Modeling the Relationship between High School Students' Chemistry Self-Efficacy and Metacognitive Awareness

    Science.gov (United States)

    Kirbulut, Zubeyde Demet

    2014-01-01

    In this study, the relationship between students' chemistry self-efficacy beliefs and metacognitive awareness was investigated utilizing a path model. There were 268 chemistry high school students (59% 10th grade and 41% 11th grade) participated in the study. The students took two-hour chemistry course in the 9th and 10th grade and three-hour…

  10. 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)

    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)

  11. The Atmospheric Chemistry and Climate Model Intercomparison Project (ACCMIP: overview and description of models, simulations and climate diagnostics

    Directory of Open Access Journals (Sweden)

    J.-F. Lamarque

    2012-08-01

    Full Text Available The Atmospheric Chemistry and Climate Model Intercomparison Project (ACCMIP consists of a series of timeslice experiments targeting the long-term changes in atmospheric composition between 1850 and 2100, with the goal of documenting radiative forcing and the associated composition changes. Here we introduce the various simulations performed under ACCMIP and the associated model output. The ACCMIP models have a wide range of horizontal and vertical resolutions, vertical extent, chemistry schemes and interaction with radiation and clouds. While anthropogenic and biomass burning emissions were specified for all time slices in the ACCMIP protocol, it is found that the natural emissions lead to a significant range in emissions, mostly for ozone precursors. The analysis of selected present-day climate diagnostics (precipitation, temperature, specific humidity and zonal wind reveals biases consistent with state-of-the-art climate models. The model-to-model comparison of changes in temperature, specific humidity and zonal wind between 1850 and 2000 and between 2000 and 2100 indicates mostly consistent results, but with outliers different enough to possibly affect their representation of climate impact on chemistry.

  12. Attribution of stratospheric ozone trends to chemistry and transport: a modelling study

    Directory of Open Access Journals (Sweden)

    G. Kiesewetter

    2010-07-01

    Full Text Available The decrease of the concentration of ozone depleting substances (ODS in the stratosphere over the past decade raises the question to what extent observed changes in stratospheric ozone over this period are consistent with known changes in chemical composition and possible changes in atmospheric transport. Here we present a series of ozone sensitivity calculations with a stratospheric chemistry transport model (CTM driven with meteorological reanalyses from the European Centre for Medium Range Weather Forecast, covering the period 1978–2009. In order to account for the reversal in ODS trends, ozone trends are analysed in two periods, 1979–1999 and 2000–2009. Effects of ODS changes on the ozone chemistry are either accounted for or left out, allowing for a distinct attribution of ozone trends to the different factors of variability, namely ODS acting via gas phase chemistry, ODS acting via polar heterogeneous chemistry, and changes in transport and temperature. Modeled column ozone trends are in excellent agreement with observed trends from the Total Ozone Mapping Spectrometer (TOMS and Solar Backscatter UV (SBUV/2 as well as the Global Ozone Monitoring Experiment (GOME/GOME2 and Scanning Imaging Absorption Spectrometer for Atmospheric Chartography (SCIAMACHY instruments. For the 1979–1999 period we find that changes in ODS are the dominant source of the ozone trend, while changes in transport also contribute signifcantly to the overall trend. In contrast, for the period 2000–2009 the effect of ODS changes on total ozone is small. Observed ozone changes can be reproduced well with the CTM driven with meteorological reanalyses, indicating that the observed evolution of ozone over the past decade is consistent with our current understanding of chemistry and transport.

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

    International Nuclear Information System (INIS)

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

  14. Parameterization and evaluation of sulfate adsorption in a dynamic soil chemistry model

    International Nuclear Information System (INIS)

    Including sulfate adsorption improves the dynamic behavior of the SAFE model. - Sulfate adsorption was implemented in the dynamic, multi-layer soil chemistry model SAFE. The process is modeled by an isotherm in which sulfate adsorption is considered to be fully reversible and dependent on sulfate concentration as well as pH in soil solution. The isotherm was parameterized by a site-specific series of simple batch experiments at different pH (3.8-5.0) and sulfate concentration (10-260 μmol l-1) levels. Application of the model to the Lake Gaardsjoen roof covered site shows that including sulfate adsorption improves the dynamic behavior of the model and sulfate adsorption and desorption delay acidification and recovery of the soil. The modeled adsorbed pool of sulfate at the site reached a maximum level of 700 mmol/m2 in the late 1980s, well in line with experimental data

  15. The Effect of Guided-Inquiry Laboratory Experiments on Science Education Students' Chemistry Laboratory Attitudes, Anxiety and Achievement

    Science.gov (United States)

    Ural, Evrim

    2016-01-01

    The study aims to search the effect of guided inquiry laboratory experiments on students' attitudes towards chemistry laboratory, chemistry laboratory anxiety and their academic achievement in the laboratory. The study has been carried out with 37 third-year, undergraduate science education students, as a part of their Science Education Laboratory…

  16. Introduction to Homogenous Catalysis with Ruthenium-Catalyzed Oxidation of Alcohols: An Experiment for Undergraduate Advanced Inorganic Chemistry Students

    Science.gov (United States)

    Miecznikowski, John R.; Caradonna, John P.; Foley, Kathleen M.; Kwiecien, Daniel J.; Lisi, George P.; Martinez, Anthony M.

    2011-01-01

    A three-week laboratory experiment, which introduces students in an advanced inorganic chemistry course to air-sensitive chemistry and catalysis, is described. During the first week, the students synthesize RuCl[subscript 2](PPh[subscript 3])[subscript 3]. During the second and third weeks, the students characterize the formed coordination…

  17. BWR shutdown and startup chemistry experience and application Sourcebook. BWRVIP-225, Rev. 1

    International Nuclear Information System (INIS)

    provides highlights from the Sourcebook on shutdown and startup industry experience, shutdown data correlations and chemistry control recommendations during shutdown and startup. (author)

  18. General Chemistry and Cellular and Molecular Biology: An Experiment in Curricular Symbiosis

    Science.gov (United States)

    Truman Schwartz, A.; Serie, Jan

    2001-11-01

    During the 1998-99 academic year, with the support of the Howard Hughes Medical Institute, we co-taught integrated courses in general chemistry and cell biology to 23 first-year students. The double course was organized around six units: I. Energetics: Harvesting (Bio)Chemical Energy; II. The Regulation of Biological Processes: Chemical Kinetics and Equilibrium; III. Membranes and Electrochemical Gradients; IV. Acids and Bases and the Regulation of pH; V. Intracellular Compartments and Transport; and VI. Cellular Communication. The chemistry and biology were both taught in a manner meant to enhance understanding of these major themes and to emphasize the relationships between the two disciplines. Both of us were present for all class sessions and shared teaching responsibilities. The examinations, which corresponded to the units, also stressed the interdependence of biology and chemistry. The laboratory components were not integrated; rather the students were dispersed among laboratory sections shared with students from more traditional lecture sections. The paper reports on this experiment in curricular symbiosis, which proved to be a challenging and rewarding learning experience for both the students and us.

  19. Online coupled regional meteorology-chemistry models in Europe: current status and prospects

    Directory of Open Access Journals (Sweden)

    A. Baklanov

    2013-05-01

    MetChem – aims at paving the way towards a new generation of online integrated atmospheric chemical transport and meteorology modelling with two-way interactions between different atmospheric processes including dynamics, chemistry, clouds, radiation, boundary layer and emissions. As its first task, we summarise the current status of European modelling practices and experience with online coupled modelling of meteorology with atmospheric chemistry including feedback mechanisms and attempt reviewing the various issues connected to the different modules of such online coupled models but also providing recommendations for coping with them for the benefit of the modelling community at large.

  20. Online coupled regional meteorology-chemistry models in Europe: current status and prospects

    Science.gov (United States)

    Baklanov, A.; Schluenzen, K. H.; Suppan, P.; Baldasano, J.; Brunner, D.; Aksoyoglu, S.; Carmichael, G.; Douros, J.; Flemming, J.; Forkel, R.; Galmarini, S.; Gauss, M.; Grell, G.; Hirtl, M.; Joffre, S.; Jorba, O.; Kaas, E.; Kaasik, M.; Kallos, G.; Kong, X.; Korsholm, U.; Kurganskiy, A.; Kushta, J.; Lohmann, U.; Mahura, A.; Manders-Groot, A.; Maurizi, A.; Moussiopoulos, N.; Rao, S. T.; Savage, N.; Seigneur, C.; Sokhi, R.; Solazzo, E.; Solomos, S.; Sørensen, B.; Tsegas, G.; Vignati, E.; Vogel, B.; Zhang, Y.

    2013-05-01

    paving the way towards a new generation of online integrated atmospheric chemical transport and meteorology modelling with two-way interactions between different atmospheric processes including dynamics, chemistry, clouds, radiation, boundary layer and emissions. As its first task, we summarise the current status of European modelling practices and experience with online coupled modelling of meteorology with atmospheric chemistry including feedback mechanisms and attempt reviewing the various issues connected to the different modules of such online coupled models but also providing recommendations for coping with them for the benefit of the modelling community at large.

  1. Determining the EDTA Content in a Consumer Shower Cleaner. An Introductory Chemistry Laboratory Experiment

    Science.gov (United States)

    Weigand, Willis A.

    2000-10-01

    At Altoona College, Chemistry 11 is offered to students as a preparatory course for the University's Chemical Principles course, Chem 12. A relevant laboratory is a source of motivation for the students to learn the chemistry. One way of making the laboratory relevant is to analyze the chemical components of consumer products. Several new shower-cleaning products have been introduced, which advertise that cleaning the shower is no longer necessary. The cleaners work using a combination of surfactants, alcohols, and a chelating agent. The Web site of a popular shower cleaner lists EDTA (ethylenediamine tetraacetate ion) as the chelating agent. The classic EDTA/calcium complexometric titration can be used to determine the EDTA content of the cleaner. This article describes the experiment to determine the EDTA content in a shower-cleaning product.

  2. Modeling chemistry in and above snow at Summit, Greenland − Part 2: Impact of snowpack chemistry on the oxidation capacity of the boundary layer

    Directory of Open Access Journals (Sweden)

    B. Lefer

    2012-02-01

    Full Text Available The chemical composition of the boundary layer in snow covered regions is impacted by chemistry in the snowpack via uptake, processing, and emission of atmospheric trace gases. We use the coupled one-dimensional (1-D snow chemistry and atmospheric boundary layer model MISTRA-SNOW to study the impact of snowpack chemistry on the oxidation capacity of the boundary layer. The model includes gas phase photochemistry and chemical reactions both in the interstitial air and the atmosphere. Chemistry on snow grains is simulated assuming a liquid-like layer (LLL, treated as an aqueous layer on the snow grain surface. The model has been recently compared with BrO and NO data taken on 10 June–13 June 2008 as part of the Greenland Summit Halogen-HOx experiment (GSHOX. In the present study, we use the same focus period to investigate the influence of snowpack derived chemistry on OH and HOx + RO2 in the boundary layer. We compare model results with chemical ionization mass spectrometry (CIMS measurements of the hydroxyl radical (OH and of the hydroperoxyl radical (HO2 plus the sum of all organic peroxy radicals (RO2 taken at Summit during summer 2008. Using sensitivity runs we show that snowpack influenced nitrogen cycling and bromine chemistry both increase the oxidation capacity of the boundary layer and that together they increase the mid-day OH concentrations by approximately a factor of 2. We show for the first time, using an unconstrained coupled one-dimensional snowpack-boundary layer model, that air-snow interactions impact the oxidation capacity of the boundary layer and that it is not possible to match measured OH levels without snowpack NOx and halogen emissions. Model predicted HONO compared with mistchamber measurements suggests there may be an unknown HONO source at Summit. Other model predicted HOx precursors, H2O2 and HCHO, compare well with measurements taken in summer 2000. Over 3 days, snow sourced NOx contributes an additional 2 ppb to

  3. 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.

  4. Modeling and management of pit lake water chemistry 1: Theory

    International Nuclear Information System (INIS)

    Highlights: • Review of pit lake literature in the context of pit lake predictions. • Review of approaches used to predict pit wall-rock runoff and leachate. • Review of approaches used to generate a pit lake water balance. • Review of approaches used to generate a hydrodynamic prediction. • Review of approaches used to generate a geochemical prediction of a future pit lake. - Abstract: Pit lakes are permanent hydrologic/landscape features that can result from open pit mining for metals, coal, uranium, diamonds, oil sands, and aggregates. Risks associated with pit lakes include local and regional impacts to water quality and related impacts to aquatic and terrestrial ecosystems. Stakeholders rely on predictive models of water chemistry to prepare for and manage these risks. This paper is the first of a two part series on the modeling and management of pit lakes. Herein, we review approaches that have been used to quantify wall-rock runoff geochemistry, wall-rock leachate geochemistry, pit lake water balance, pit lake limnology (i.e. extent of vertical mixing), and pit lake water quality, and conclude with guidance on the application of models within the mine life cycle. The purpose of this paper is to better prepare stakeholders, including future modelers, mine managers, consultants, permitting agencies, land management agencies, regulators, research scientists, academics, and other interested parties, for the challenges of predicting and managing future pit lakes in un-mined areas

  5. Demystifying the Chemistry Literature: Building Information Literacy in First-Year Chemistry Students through Student-Centered Learning and Experiment Design

    Science.gov (United States)

    Bruehl, Margaret; Pan, Denise; Ferrer-Vinent, Ignacio J.

    2015-01-01

    This paper describes curriculum modules developed for first-year general chemistry laboratory courses that use scientific literature and creative experiment design to build information literacy in a student-centered learning environment. Two curriculum units are discussed: Exploring Scientific Literature and Design Your Own General Chemistry…

  6. Validation of NO2 and NO from the Atmospheric Chemistry Experiment (ACE

    Directory of Open Access Journals (Sweden)

    M. Schneider

    2008-10-01

    Full Text Available Vertical profiles of NO2 and NO have been obtained from solar occultation measurements by the Atmospheric Chemistry Experiment (ACE, using an infrared Fourier Transform Spectrometer (ACE-FTS and (for NO2 an ultraviolet-visible-near-infrared spectrometer, MAESTRO (Measurement of Aerosol Extinction in the Stratosphere and Troposphere Retrieved by Occultation. In this paper, the quality of the ACE-FTS version 2.2 NO2 and NO and the MAESTRO version 1.2 NO2 data are assessed using other solar occultation measurements (HALOE, SAGE II, SAGE III, POAM III, SCIAMACHY, stellar occultation measurements (GOMOS, limb measurements (MIPAS, OSIRIS, nadir measurements (SCIAMACHY, balloon-borne measurements (SPIRALE, SAOZ and ground-based measurements (UV-VIS, FTIR. Time differences between the comparison measurements were reduced using either a tight coincidence criterion, or where possible, chemical box models. ACE-FTS NO2 and NO and the MAESTRO NO2 are generally consistent with the correlative data. The ACE-FTS and MAESTRO NO2 volume mixing ratio (VMR profiles agree with the profiles from other satellite data sets to within about 20% between 25 and 40 km, with the exception of MIPAS ESA (for ACE-FTS and SAGE II (for ACE-FTS (sunrise and MAESTRO and suggest a negative bias between 23 and 40 km of about 10%. MAESTRO reports larger VMR values than the ACE-FTS. In comparisons with HALOE, ACE-FTS NO VMRs typically (on average agree to ±8% from 22 to 64 km and to +10% from 93 to 105 km, with maxima of 21% and 36%, respectively. Partial column comparisons for NO2 show that there is quite good agreement between the ACE instruments and the FTIRs, with a mean difference of +7.3% for ACE-FTS and +12.8% for MAESTRO.

  7. Learner Experiences of Online Pre-lecture Resources for an Introductory Chemistry Course at an Irish Higher Education Institution

    OpenAIRE

    McDonnell, Claire

    2011-01-01

    The principal aim of this case study was to investigate students’ experiences of using online pre-lecture resources and their perceptions of their learning environment for the Introductory Chemistry module concerned. A subsidiary aim was to probe the experience of the lecturer involved of designing and piloting these resources and his perception of their impact on students’ learning. The student cohort who participated were a group of 49 first year level 8 undergraduate chemistry students at ...

  8. Online coupled meteorology and chemistry models: history, current status, and outlook

    OpenAIRE

    Zhang, Y.

    2008-01-01

    International audience The climate-chemistry-aerosol-cloud-radiation feedbacks are important processes occurring in the atmosphere. Accurately simulating those feedbacks requires fully-coupled meteorology, climate, and chemistry models and presents significant challenges in terms of both scientific understanding and computational demand. This paper reviews the history and current status of the development and application of online-coupled meteorology and chemistry models, with a focus on f...

  9. The 'model omnitron' proposed experiment

    International Nuclear Information System (INIS)

    The Model Omitron is a compact tokamak experiment which is designed by the Fusion Engineering Unit of ENEA and CITIF CONSORTIUM. The building of Model Omitron would allow for full testing of Omitron engineering, and partial testing of Omitron physics -at about 1/20 of the cost that has been estimated for the larger parent machine. In particular, due to the unusually large ohmic power densities (up to 100 times the nominal value in the Frascati FTU experiment), in Model Omitron the radial energy flux is reaching values comparable or higher than envisaged of the larger ignition experiments Omitron, Ignitor and Iter. Consequently, conditions are expected to occur at the plasma border in the scrape-off layer of Model Omitron, which are representative of the quoted larger experiments. Moreover, since all this will occur under ohmic heating alone, one will hopefully be able to derive an energy transport model fo the ohmic heating regime that is valid over a range of plasma parameters (in particular, of the temperature parameter) wider than it was possible before. In the Model Omitron experiment, finally - by reducing the plasma current and/or the toroidal field down to, say, 1/3 or 1/4 of the nominal values -additional topics can be tackled, such as: large safety-factor configurations (of interest for improving confinement), large aspect-ratio configurations (of interest for the investigation of advanced concepts in tokamaks), high beta (with RF heating -also of interest for the investigation of advanced concepts in tokamaks), long pulse discharges (of interest for demonstrating stationary conditions in the current profile)

  10. An overview of the Chemistry-Aerosol Mediterranean Experiment (ChArMEx)

    Science.gov (United States)

    Dulac, François

    2014-05-01

    The Chemistry-Aerosol Mediterranean Experiment (ChArMEx, http://charmex.lsce.ipsl.fr) is a French initiative of the MISTRALS meta-programme (Mediterranean Integrated Studies at Regional And Locals Scales, http://www.mistrals-home.org). It federates a great number of national and international cooperative research actions aiming at a scientific assessment of the present and future state of the atmospheric environment in the Mediterranean Basin, and of its impacts on the regional climate, air quality, and marine biogeochemistry. The target is short-lived particulate and gaseous tropospheric trace species which are the cause of poor air quality events, have two-way interactions with climate, or impact the marine biogeochemistry, in a context of strong regional anthropogenic and climatic pressures. The six ChArMEx work packages include Emissions, Chemical processes and ageing, Transport processes and air quality, Aerosol-radiation-climate interactions, Deposition, and Present and future variability and trends. For several years, efforts have been deployed in several countries to develop (i) a network of relevant stations for atmospheric chemistry at background sites on islands and continental coasts around the basin and (ii) several intensive field campaigns including the operation of surface supersites and various instrumented mobile platforms (large and ultra-light aircraft, sounding and drifting balloons, ZeroCO2 sailboat). This presentation is an attempt to provide an overview of the various experimental, remote sensing and modelling efforts produced and to highlight major findings, by referencing more detailed ChArMEx presentations given in this conference and recently published or submitted papers. During the first phase of the project experimental efforts have been mainly concentrated on the western basin. Plans for the 2nd phase of ChArMEx, more dedicated towards the eastern basin, will also be given. In particular we plan to develop monitoring activities at

  11. The 1953 Stanley L. Miller Experiment: Fifty Years of Prebiotic Organic Chemistry

    Science.gov (United States)

    Lazcano, Antonio; Bada, Jeffrey L.

    2003-01-01

    The field of prebiotic chemistry effectively began with a publication in Science 50 years ago by Stanley L. Miller on the spark discharge synthesis of amino acids and other compounds using a mixture of reduced gases that were thought to represent the components of the atmosphere on the primitive Earth. On the anniversary of this landmark publication, we provide here an accounting of the events leading to the publication of the paper. We also discuss the historical aspects that lead up to the landmark Miller experiment.

  12. Spray Combustion Modeling with VOF and Finite-Rate Chemistry

    Science.gov (United States)

    Chen, Yen-Sen; Shang, Huan-Min; Liaw, Paul; Wang, Ten-See

    1996-01-01

    A spray atomization and combustion model is developed based on the volume-of-fluid (VOF) transport equation with finite-rate chemistry model. The gas-liquid interface mass, momentum and energy conservation laws are modeled by continuum surface force mechanisms. A new solution method is developed such that the present VOF model can be applied for all-speed range flows. The objectives of the present study are: (1) to develop and verify the fractional volume-of-fluid (VOF) cell partitioning approach into a predictor-corrector algorithm to deal with multiphase (gas-liquid) free surface flow problems; (2) to implement the developed unified algorithm in a general purpose computational fluid dynamics (CFD) code, Finite Difference Navier-Stokes (FDNS), with droplet dynamics and finite-rate chemistry models; and (3) to demonstrate the effectiveness of the present approach by simulating benchmark problems of jet breakup/spray atomization and combustion. Modeling multiphase fluid flows poses a significant challenge because a required boundary must be applied to a transient, irregular surface that is discontinuous, and the flow regimes considered can range from incompressible to highspeed compressible flows. The flow-process modeling is further complicated by surface tension, interfacial heat and mass transfer, spray formation and turbulence, and their interactions. The major contribution of the present method is to combine the novel feature of the Volume of Fluid (VOF) method and the Eulerian/Lagrangian method into a unified algorithm for efficient noniterative, time-accurate calculations of multiphase free surface flows valid at all speeds. The proposed method reformulated the VOF equation to strongly couple two distinct phases (liquid and gas), and tracks droplets on a Lagrangian frame when spray model is required, using a unified predictor-corrector technique to account for the non-linear linkages through the convective contributions of VOF. The discontinuities within the

  13. Photosynthetic water oxidation: insights from manganese model chemistry.

    Science.gov (United States)

    Young, Karin J; Brennan, Bradley J; Tagore, Ranitendranath; Brudvig, Gary W

    2015-03-17

    Catalysts for light-driven water oxidation are a critical component for development of solar fuels technology. The multielectron redox chemistry required for this process has been successfully deployed on a global scale in natural photosynthesis by green plants and cyanobacteria using photosystem II (PSII). PSII employs a conserved, cuboidal Mn4CaOX cluster called the O2-evolving complex (OEC) that offers inspiration for artificial O2-evolution catalysts. In this Account, we describe our work on manganese model chemistry relevant to PSII, particularly the functional model [Mn(III/IV)2(terpy)2(μ-O)2(OH2)2](NO3)3 complex (terpy = 2,2';6',2″-terpyridine), a mixed-valent di-μ-oxo Mn dimer with two terminal aqua ligands. In the presence of oxo-donor oxidants such as HSO5(-), this complex evolves O2 by two pathways, one of which incorporates solvent water in an O-O bond-forming reaction. Deactivation pathways of this catalyst include comproportionation to form an inactive Mn(IV)Mn(IV) dimer and also degradation to MnO2, a consequence of ligand loss when the oxidation state of the complex is reduced to labile Mn(II) upon release of O2. The catalyst's versatility has been shown by its continued catalytic activity after direct binding to the semiconductor titanium dioxide. In addition, after binding to the surface of TiO2 via a chromophoric linker, the catalyst can be oxidized by a photoinduced electron-transfer mechanism, mimicking the natural PSII process. Model oxomanganese complexes have also aided in interpreting biophysical and computational studies on PSII. In particular, the μ-oxo exchange rates of the Mn-terpy dimer have been instrumental in establishing that the time scale for μ-oxo exchange of high-valent oxomanganese complexes with terminal water ligands is slower than O2 evolution in the natural photosynthetic system. Furthermore, computational studies on the Mn-terpy dimer and the OEC point to similar Mn(IV)-oxyl intermediates in the O-O bond

  14. Solution chemistry for models of enterobactin and tannin with uranyl ion

    International Nuclear Information System (INIS)

    In order to develop optimum design of sequestering agents the solution chemistry for models of enterobactin such as Tiron [4,5-dihydroxy-5-benzendisulfonate], nCat[4-nitrocatechol],3,4,3-LICAMS [N1,N5,N10,N14-tetra(2,3-dihydroxy-5-sulfobenzoyl)-tetraazatetradecane] with UO22+ has been investigated. Tannin, which is a polyphenol and inexpensive substance, may probably be used in separation science of nuclear industry. Therefore, the solution chemistry of Tannin with uranyl ion has also been studied. The behaviour of solution chemistry, including eight systems--Tiron and Tiron-U(VI) nCat and nCat-U(VI),3,4,3-LICAMS and 3,4,3-LICAMS-U(VI) as well as Tannin and Tannin-U(VI), has been examined by pH-spectrophotometrc titration method. These experiments have established that U(VI) complexes with these ligands via phenolic groups. This work has offered important data for the design of actinide-specific sequestering agents

  15. ATR-FTIR Spectroscopy in the Undergraduate Chemistry Laboratory: Part II--A Physical Chemistry Laboratory Experiment on Surface Adsorption

    Science.gov (United States)

    Schuttlefield, Jennifer D.; Larsen, Sarah C.; Grassian, Vicki H.

    2008-01-01

    Attenuated total reflectance-Fourier transform infrared (ATR-FTIR) spectroscopy is a useful technique for measuring the infrared spectra of solids and liquids as well as probing adsorption on particle surfaces. The use of FTIR-ATR spectroscopy in organic and inorganic chemistry laboratory courses as well as in undergraduate research was presented…

  16. GAS-GRAIN MODELS FOR INTERSTELLAR ANION CHEMISTRY

    International Nuclear Information System (INIS)

    Long-chain hydrocarbon anions CnH– (n = 4, 6, 8) have recently been found to be abundant in a variety of interstellar clouds. In order to explain their large abundances in the denser (prestellar/protostellar) environments, new chemical models are constructed that include gas-grain interactions. Models including accretion of gas-phase species onto dust grains and cosmic-ray-induced desorption of atoms are able to reproduce the observed anion-to-neutral ratios, as well as the absolute abundances of anionic and neutral carbon chains, with a reasonable degree of accuracy. Due to their destructive effects, the depletion of oxygen atoms onto dust results in substantially greater polyyne and anion abundances in high-density gas (with nH2∼>105 cm–3). The large abundances of carbon-chain-bearing species observed in the envelopes of protostars such as L1527 can thus be explained without the need for warm carbon-chain chemistry. The C6H– anion-to-neutral ratio is found to be most sensitive to the atomic O and H abundances and the electron density. Therefore, as a core evolves, falling atomic abundances and rising electron densities are found to result in increasing anion-to-neutral ratios. Inclusion of cosmic-ray desorption of atoms in high-density models delays freeze-out, which results in a more temporally stable anion-to-neutral ratio, in better agreement with observations. Our models include reactions between oxygen atoms and carbon-chain anions to produce carbon-chain-oxide species C6O, C7O, HC6O, and HC7O, the abundances of which depend on the assumed branching ratios for associative electron detachment.

  17. GAS-GRAIN MODELS FOR INTERSTELLAR ANION CHEMISTRY

    Energy Technology Data Exchange (ETDEWEB)

    Cordiner, M. A. [Also at Institute for Astrophysics and Computational Sciences, Catholic University of America, Washington, DC 20064 (United States); Charnley, S. B., E-mail: martin.cordiner@nasa.gov [Astrochemistry Laboratory and Goddard Center for Astrobiology, Mailstop 691, NASA Goddard Space Flight Center, 8800 Greenbelt Road, Greenbelt, MD 20770 (United States)

    2012-04-20

    Long-chain hydrocarbon anions C{sub n}H{sup -} (n = 4, 6, 8) have recently been found to be abundant in a variety of interstellar clouds. In order to explain their large abundances in the denser (prestellar/protostellar) environments, new chemical models are constructed that include gas-grain interactions. Models including accretion of gas-phase species onto dust grains and cosmic-ray-induced desorption of atoms are able to reproduce the observed anion-to-neutral ratios, as well as the absolute abundances of anionic and neutral carbon chains, with a reasonable degree of accuracy. Due to their destructive effects, the depletion of oxygen atoms onto dust results in substantially greater polyyne and anion abundances in high-density gas (with n{sub H{sub 2}}{approx}>10{sup 5} cm{sup -3}). The large abundances of carbon-chain-bearing species observed in the envelopes of protostars such as L1527 can thus be explained without the need for warm carbon-chain chemistry. The C{sub 6}H{sup -} anion-to-neutral ratio is found to be most sensitive to the atomic O and H abundances and the electron density. Therefore, as a core evolves, falling atomic abundances and rising electron densities are found to result in increasing anion-to-neutral ratios. Inclusion of cosmic-ray desorption of atoms in high-density models delays freeze-out, which results in a more temporally stable anion-to-neutral ratio, in better agreement with observations. Our models include reactions between oxygen atoms and carbon-chain anions to produce carbon-chain-oxide species C{sub 6}O, C{sub 7}O, HC{sub 6}O, and HC{sub 7}O, the abundances of which depend on the assumed branching ratios for associative electron detachment.

  18. Gas-Grain Models for Interstellar Anion Chemistry

    Science.gov (United States)

    Cordiner, M. A.; Charnely, S. B.

    2012-01-01

    Long-chain hydrocarbon anions C(sub n) H(-) (n = 4, 6, 8) have recently been found to be abundant in a variety of interstellar clouds. In order to explain their large abundances in the denser (prestellar/protostellar) environments, new chemical models are constructed that include gas-grain interactions. Models including accretion of gas-phase species onto dust grains and cosmic-ray-induced desorption of atoms are able to reproduce the observed anion-to-neutral ratios, as well as the absolute abundances of anionic and neutral carbon chains, with a reasonable degree of accuracy. Due to their destructive effects, the depletion of oxygen atoms onto dust results in substantially greater polyyne and anion abundances in high-density gas (with n(sub H2) approx > / cubic cm). The large abundances of carbon-chain-bearing species observed in the envelopes of protostars such as L1527 can thus be explained without the need for warm carbon-chain chemistry. The C6H(-) anion-to-neutral ratio is found to be most sensitive to the atomic O and H abundances and the electron density. Therefore, as a core evolves, falling atomic abundances and rising electron densities are found to result in increasing anion-to-neutral ratios. Inclusion of cosmic-ray desorption of atoms in high-density models delays freeze-out, which results in a more temporally stable anion-to-neutral ratio, in better agreement with observations. Our models include reactions between oxygen atoms and carbon-chain anions to produce carbon-chain-oxide species C6O, C7O, HC6O, and HC7O, the abundances of which depend on the assumed branching ratios for associative electron detachment

  19. A new model for magnesium chemistry in the upper atmosphere.

    Science.gov (United States)

    Plane, John M C; Whalley, Charlotte L

    2012-06-21

    This paper describes the kinetic study of a number of gas-phase reactions involving neutral Mg-containing species, which are important for the chemistry of meteor-ablated magnesium in the upper mesosphere/lower thermosphere region. The study is motivated by the very recent observation of the global atomic Mg layer around 90 km, using satellite-born UV-visible spectroscopy. In the laboratory, Mg atoms were produced thermally in the upstream section of a fast flow tube and then converted to the molecular species MgO, MgO(2), OMgO(2), and MgCO(3) by the addition of appropriate reagents. Atomic O was added further downstream, and Mg was detected at the downstream end of the flow tube by laser-induced fluorescence. The following rate coefficients were determined at 300 K: k(MgO + O → Mg + O(2)) = (6.2 ± 1.1) × 10(-10); k(MgO(2) + O → MgO + O(2)) = (8.4 ± 2.8) × 10(-11); k(MgCO(3) + O → MgO(2) + CO(2)) ≥ 4.9 × 10(-12); and k(MgO + CO → Mg + CO(2)) = (1.1 ± 0.3) × 10(-11) cm(3) molecule(-1) s(-1). Electronic structure calculations of the relevant potential energy surfaces combined with RRKM theory were performed to interpret the experimental results and also to explore the likely reaction pathways that convert MgCO(3) and OMgO(2) into long-lived reservoir species such as Mg(OH)(2). Although no reaction was observed in the laboratory between OMgO(2) and O, this is most likely due to the rapid recombination of O(2) with the product MgO(2) to form the relatively stable O(2)MgO(2). Indeed, one significant finding is the role of O(2) in the mesosphere, where it initiates holding cycles by recombining with radical species such as MgO(2) and MgOH. A new atmospheric model was then constructed which combines these results together with recent work on magnesium ion-molecule chemistry. The model is able to reproduce satisfactorily some of the key features of the Mg and Mg(+) layers, including the heights of the layers, the seasonal variations of their column

  20. The Discovery-Oriented Approach to Organic Chemistry. 7. Rearrangement of "trans"-Stilbene Oxide with Bismuth Trifluoromethanesulfonate and Other Metal Triflates: A Microscale Green Organic Chemistry Laboratory Experiment

    Science.gov (United States)

    Christensen, James E.; Huddle, Matthew G.; Rogers, Jamie L.; Yung, Herbie; Mohan, Ram S.

    2008-01-01

    Although green chemistry principles are increasingly stressed in the undergraduate curriculum, there are only a few lab experiments wherein the toxicity of reagents is taken into consideration in the design of the experiment. We report a microscale green organic chemistry laboratory experiment that illustrates the utility of metal triflates,…

  1. IR spectrum simulation of molecular structure model of Shendong coal vitrinite by using quantum chemistry method.

    Science.gov (United States)

    Jia, Jian-Bo; Wang, Ying; Li, Feng-Hai; Yi, Gui-Yun; Zeng, Fan-Gui; Guo, Hong-Yu

    2014-01-01

    The structure of coal needs to be understood from a molecular point of view for clean, effective and high value-added utilization of coal. In the literature, molecular structure model of Shendong coal vitrinite (SV) was established by the authors on the basis of experimental results of ultimate analysis and 13C NMR, and the calculated 13C NMR spectrum of SV model was consistent with the experimental spectrum. In order to further verify the accuracy of SV structure model established by the authors, the infrared spectrum of SV structure model was calculated using quantum chemistry semi-empirical VAMP in this thesis. The results showed that the peak shape of calculated IR spectrum of SV structure model was similar to the experiment's, but the wave number of calculated IR spectrum was obviously higher than that of experimental spectrum. According to the calculated results for model compounds by using the same method, calculated vibrational frequency was higher than that of experiment for the same functional groups. Hence, the calculated IR spectrum should be corrected. After correction the calculated IR spectrum of SV structure model matched well with the experimental spectrum. In other words, the SV structure model can truly reflect the structure characteristics of SV. PMID:24783531

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

    Energy Technology Data Exchange (ETDEWEB)

    Somorjai, Gabor A.; Li, Yimin

    2009-11-21

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

  3. Debris flows: Experiments and modelling

    Science.gov (United States)

    Turnbull, Barbara; Bowman, Elisabeth T.; McElwaine, Jim N.

    2015-01-01

    Debris flows and debris avalanches are complex, gravity-driven currents of rock, water and sediments that can be highly mobile. This combination of component materials leads to a rich morphology and unusual dynamics, exhibiting features of both granular materials and viscous gravity currents. Although extreme events such as those at Kolka Karmadon in North Ossetia (2002) [1] and Huascarán (1970) [2] strongly motivate us to understand how such high levels of mobility can occur, smaller events are ubiquitous and capable of endangering infrastructure and life, requiring mitigation. Recent progress in modelling debris flows has seen the development of multiphase models that can start to provide clues of the origins of the unique phenomenology of debris flows. However, the spatial and temporal variations that debris flows exhibit make this task challenging and laboratory experiments, where boundary and initial conditions can be controlled and reproduced, are crucial both to validate models and to inspire new modelling approaches. This paper discusses recent laboratory experiments on debris flows and the state of the art in numerical models.

  4. Modeling Studies on Microbial Effects on Groundwater Chemistry

    International Nuclear Information System (INIS)

    The overall goal of this project is to develop a model to predict microbial effects on the performance of a high-level radioactive waste (HLW) repository. As a first step, the effects of microbes on groundwater chemistry have been evaluated with the numerical code 'MINT', using data collected from the borehole HDB-6 in the Horonobe underground research laboratory (URL) in Japan. The MINT code models biochemistry and geochemical equilibrium, with consideration of transport of solute and microbial activity. The MINT code simulates the activities of six major groups of microbes, classified by their metabolism as 'aerobic', 'denitrifying', 'manganese reducing', 'iron reducing', 'sulfate reducing' and 'methanogenic'. The specific activity of each of these groups will depend on the redox potential (Eh) of the groundwater. Sensitivity analyses were performed to investigate the consequences of changes in groundwater composition on the effects of microbial activity. This indicates that the activities of Sulfate Reducing Bacteria (SRB) and methanogens are relatively high. The concentration of dissolved methane produced by such microbial activity is seen to be influenced by sulfate concentration. Based on the observed data from Horonobe URL, the concentration in oxygen is relatively high and the activity of denitrifying bacteria is the highest of the major six groups of microbes. This can, however, be attributable to chemical / microbial contamination of the groundwater during sampling. The modeling results indicate that the concentration of dissolved oxygen and nitrate ion should be quickly reduced by microbial metabolism, reducing the redox potential to a level low enough for active methano-genesis to commence. Such assessment can be important to evaluate the reliability of sampling and measurement techniques for sensitive geochemical parameters in general - and microbiology in particular. (authors)

  5. Modeling the plasma chemistry of stratospheric Blue Jet streamers

    Science.gov (United States)

    Winkler, Holger; Notholt, Justus

    2014-05-01

    Stratospheric Blue Jets (SBJs) are upward propagating discharges in the altitude range 15-40 km above thunderstorms. The currently most accepted theory associates SBJs to the development of the streamer zone of a leader. The streamers emitted from the leader can travel for a few tens of kilometers predominantly in the vertical direction (Raizer et al., 2007). The strong electric fields at the streamer tips cause ionisation, dissociation, and excitation, and give rise to chemical perturbations. While in recent years the effects of electric discharges occurring in the mesosphere (sprites) have been investigated in a number of model studies, there are only a few studies on the impact of SBJs. However, chemical perturbations due to SBJs are of interest as they might influence the stratospheric ozone layer. We present results of detailed plasma chemistry simulations of SBJ streamers for both day-time and night-time conditions. Any effects of the subsequent leader are not considered. The model accounts for more than 500 reactions and calculates the evolution of the 88 species under the influence of the breakdown electric fields at the streamer tip. As the SBJ dynamics is outside the scope of this study, the streamer parameters are prescribed. For this purpose, electric field parameters based on Raizer et al. (2007) are used. The model is applied to the typical SBJ altitude range 15-40 km. The simulations indicate that SBJ streamers cause significant chemical perturbations. In particular, the liberation of atomic oxygen during the discharge leads to a formation of ozone. At the same time, reactive nitrogen and hydrogen radicals are produced which will cause catalytic ozone destruction. Reference: Raizer et al. (2007), J. Atmos. Solar-Terr. Phys., 69 (8), 925-938.

  6. Modeling the Classic Meselson and Stahl Experiment.

    Science.gov (United States)

    D'Agostino, JoBeth

    2001-01-01

    Points out the importance of molecular models in biology and chemistry. Presents a laboratory activity on DNA. Uses different colored wax strips to represent "heavy" and "light" DNA, cesium chloride for identification of small density differences, and three different liquids with varying densities to model gradient centrifugation. (YDS)

  7. Modeling chemistry in and above snow at Summit, Greenland – Part 2: Impact of snowpack chemistry on the oxidation capacity of the boundary layer

    OpenAIRE

    Thomas, J.L.; Dibb, J. E.; L. G. Huey; Liao, J; Tanner, D.; Lefer, B; Glasow, R.; Stutz, J.

    2012-01-01

    The chemical composition of the boundary layer in snow covered regions is impacted by chemistry in the snowpack via uptake, processing, and emission of atmospheric trace gases. We use the coupled one-dimensional (1-D) snow chemistry and atmospheric boundary layer model MISTRA-SNOW to study the impact of snowpack chemistry on the oxidation capacity of the boundary layer. The model includes gas phase photochemistry and chemical reactions both in the interstitial air and the at...

  8. Modeling chemistry in and above snow at Summit, Greenland − Part 2: Impact of snowpack chemistry on the oxidation capacity of the boundary layer

    OpenAIRE

    Lefer, B; von Glasow, R.; Tanner, D.; Liao, J; L. G. Huey; Dibb, J. E.; Thomas, J.L.; Stutz, J.

    2012-01-01

    The chemical composition of the boundary layer in snow covered regions is impacted by chemistry in the snowpack via uptake, processing, and emission of atmospheric trace gases. We use the coupled one-dimensional (1-D) snow chemistry and atmospheric boundary layer model MISTRA-SNOW to study the impact of snowpack chemistry on the oxidation capacity of the boundary layer. The model includes gas phase photochemistry and chemical reactions both in the interstitial air and the atmosphere. Chemistr...

  9. Characteristics and Levels of Sophistication: An Analysis of Chemistry Students' Ability to Think with Mental Models

    Science.gov (United States)

    Wang, Chia-Yu; Barrow, Lloyd H.

    2011-08-01

    This study employed a case-study approach to reveal how an ability to think with mental models contributes to differences in students' understanding of molecular geometry and polarity. We were interested in characterizing features and levels of sophistication regarding first-year university chemistry learners' mental modeling behaviors while the learners were solving problems associated with spatial information. To serve this purpose, we conducted case studies on nine students who were sampled from high-scoring, moderate-scoring, and low-scoring students. Our findings point to five characteristics of mental modeling ability that distinguish students in the high-, moderate-, and low-ability groups from one another. Although the levels of mental modeling abilities have been described in categories (high, moderate, and low), they can be thought of as a continuum with the low-ability group reflecting students who have very limited ability to generate and use mental models whereas students in the high-ability group not only construct and use mental models as a thinking tool, but also analyze the problems to be solved, evaluate their mental models, and oversee entire mental modeling processes. Cross-case comparisons for students with different levels of mental modeling ability indicate that experiences of generating and manipulating a mental model based on imposed propositions are crucial for a learner's efforts to incorporate content knowledge with visual-spatial thinking skills. This paper summarizes potential factors that undermine learners' comprehension of molecular geometry and polarity and that influence mastery of this mental modeling ability.

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

    OpenAIRE

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

    2006-01-01

    International audience The Dead Sea is an excellent natural laboratory for the investigation of Reactive Bromine Species (RBS) chemistry, due to the high RBS levels observed in this area, combined with anthropogenic air pollutants up to several ppb. The present study investigated the basic chemical mechanism of RBS at the Dead Sea using a numerical one-dimensional chemical model. Simulations were based on data obtained from comprehensive measurements performed at sites along the Dead Sea. ...

  11. Effects of D-region RF heating studied with the Sodankylä Ion Chemistry model

    Directory of Open Access Journals (Sweden)

    C.-F. Enell

    2005-07-01

    Full Text Available The upper mesosphere and lower thermosphere, or ionospheric D region, is an atmospheric layer which is difficult to access experimentally. A useful method that also has a large potential for further studies is artificial heating of electrons by means of powerful radio transmitters. Here we estimate the effect of D-region heating for a few typical cases of high electron density – daylight, typical auroral electron precipitation, and a solar proton event – by coupling a model of RF electron heating to the Sodankylä Ion Chemistry (SIC model. The predicted effects are among others an increase in the ratio of the concentration of negative ions to that of free electrons, and an increase in the absorption of cosmic noise as measured by riometers. For the model runs presented in this paper we have calculated the absorption for the frequency (38.2MHz of the IRIS imaging riometer in Kilpisjärvi, Finland, as observing the ionosphere above the EISCAT Heater in Tromsø, Norway. The predicted enhancements of the absorption are 0.2–0.8dB, an effect which is clearly detectable.

    Keywords. Ionosphere (Active experiments; Ion chemistry and composition; Wave propagation

  12. PWR Secondary Water Chemistry Control Status: A Summary of Industry Initiatives, Experience and Trends Relative to the EPRI PWR Secondary Water Chemistry Guidelines

    International Nuclear Information System (INIS)

    The latest revision of the EPRI Pressurized Water Reactor (PWR) Secondary Water Chemistry Guidelines was issued in February 2009. The Guidelines continue to focus on minimizing stress corrosion cracking (SCC) of steam generator tubes, as well as minimizing degradation of other major components / subsystems of the secondary system. The Guidelines provide a technically-based framework for a plant-specific and effective PWR secondary water chemistry program. With the issuance of Revision 7 of the Guidelines in 2009, many plants have implemented changes that allow greater flexibility on startup. For example, the previous Guidelines (Revision 6) contained a possible low power hold at 5% power and a possible mid power hold at approximately 30% power based on chemistry constraints. Revision 7 has established a range over which a plant-specific value can be chosen for the possible low power hold (between 5% and 15%) and mid power hold (between 30% and 50%). This has provided plants the ability to establish significant plant evolutions prior to reaching the possible power hold; such as establishing seal steam to the condenser, placing feed pumps in service, or initiating forward flow of heater drains. The application of this flexibility in the industry will be explored. This paper also highlights the major initiatives and industry trends with respect to PWR secondary chemistry; and outlines the recent work to effectively address them. These will be presented in light of recent operating experience, as derived from EPRI's PWR Chemistry Monitoring and Assessment (CMA) program (which contains more than 400 cycles of operating chemistry data). (authors)

  13. A Model for Nitrogen Chemistry in Oxy-Fuel Combustion of Pulverized Coal

    OpenAIRE

    Hashemi, Hamid; Hansen, Stine; Toftegaard, Maja Bøg; Pedersen, Kim Hougaard; Jensen, Anker Degn; Dam-Johansen, Kim; Glarborg, Peter

    2011-01-01

    In this work, a model for the nitrogen chemistry in the oxy-fuel combustion of pulverized coal has been developed. The model is a chemical reaction engineering type of model with a detailed reaction mechanism for the gas-phase chemistry, together with a simplified description of the mixing of flows, heating and devolatilization of particles, and gas–solid reactions. The model is validated by comparison with entrained flow reactor results from the present work and from the literature on pulver...

  14. The global impact of supersaturation in a coupled chemistry-climate model

    Directory of Open Access Journals (Sweden)

    A. Gettelman

    2007-01-01

    Full Text Available Ice supersaturation is important for understanding condensation in the upper troposphere. Many general circulation models however do not permit supersaturation. In this study, a coupled chemistry climate model, the Whole Atmosphere Community Climate Model (WACCM, is modified to include supersaturation for the ice phase. Rather than a study of a detailed parameterization of supersaturation, the study is intended as a sensitivity experiment, to understand the potential impact of supersaturation, and of expected changes to stratospheric water vapor, on climate and chemistry. High clouds decrease and water vapor in the stratosphere increases at a similar rate to the prescribed supersaturation (20% supersaturation increases water vapor by nearly 20%. The stratospheric Brewer-Dobson circulation slows at high southern latitudes, consistent with slight changes in temperature likely induced by changes to cloud radiative forcing. The cloud changes also cause an increase in the seasonal cycle of near tropopause temperatures, increasing them in boreal summer over boreal winter. There are also impacts on chemistry, with small increases in ozone in the tropical lower stratosphere driven by enhanced production. The radiative impact of changing water vapor is dominated by the reduction in cloud forcing associated with fewer clouds (~+0.6 Wm−2 with a small component likely from the radiative effect (greenhouse trapping of the extra water vapor (~+0.2 Wm−2, consistent with previous work. Representing supersaturation is thus important, and changes to supersaturation resulting from changes in aerosol loading for example, might have a modest impact on global radiative forcing, mostly through changes to clouds. There is no evidence of a strong impact of water vapor on tropical tropopause temperatures.

  15. The global impact of supersaturation in a coupled chemistry-climate model

    Directory of Open Access Journals (Sweden)

    A. Gettelman

    2006-12-01

    Full Text Available Ice supersaturation is important for understanding condensation in the upper troposphere. Most general circulation models however do not permit supersaturation. In this study, a coupled chemistry climate model, the Whole Atmosphere Community Climate Model (WACCM, is modified to include supersaturation for the ice phase. The study is intended as a sensitivity experiment, to understand the potential impact of supersaturation, and of expected changes to stratospheric water vapor, on climate and chemistry. Results indicate that high clouds decrease and water vapor in the stratosphere increases nearly linearly with supersaturation (20% supersaturation increases water vapor by nearly 20%. The stratospheric Brewer-Dobson circulation slows at high southern latitudes, consistent with slight changes in temperature likely induced by changes to cloud radiative forcing. The cloud changes also cause an increase in the seasonal cycle of near tropopause temperatures, increasing them in boreal summer over boreal winter. There are also impacts on chemistry, with small increases in ozone in the tropical lower stratosphere driven by enhanced production. The radiative impact of changing water vapor is dominated by the reduction in cloud forcing associated with fewer clouds (~+0.6 Wm−2 with a small component likely from radiative effect (greenhouse trapping of the extra water vapor (~+0.2 Wm−2, consistent with previous work. Representing supersaturation is thus important, and changes to supersaturation resulting from changes in aerosol loading for example, might have a modest impact on global radiative forcing, mostly through changes to clouds. We do not see evidence of a strong impact of water vapor on tropical tropopause temperatures.

  16. Development and Implementation of a Simple, Engaging Acid Rain Neutralization Experiment and Corresponding Animated Instructional Video for Introductory Chemistry Students

    Science.gov (United States)

    Rand, Danielle; Yennie, Craig J.; Lynch, Patrick; Lowry, Gregory; Budarz, James; Zhu, Wenlei; Wang, Li-Qiong

    2016-01-01

    Here we describe an acid rain neutralization laboratory experiment and its corresponding instructional video. This experiment has been developed and implemented for use in the teaching laboratory of a large introductory chemistry course at Brown University. It provides a contextually relevant example to introduce beginner-level students with…

  17. Synthesis of 10-Ethyl Flavin: A Multistep Synthesis Organic Chemistry Laboratory Experiment for Upper-Division Undergraduate Students

    Science.gov (United States)

    Sichula, Vincent A.

    2015-01-01

    A multistep synthesis of 10-ethyl flavin was developed as an organic chemistry laboratory experiment for upper-division undergraduate students. Students synthesize 10-ethyl flavin as a bright yellow solid via a five-step sequence. The experiment introduces students to various hands-on experimental organic synthetic techniques, such as column…

  18. Electrochemistry of (Dihapto-Buckminster-Fullerene) Pentacarbonyl Tungsten(0): An Experiment for the Inorganic Chemistry Laboratory, Part III

    Science.gov (United States)

    Igartua-Nieves, Elvin; Ocasio-Delgado, Yessenia; Rivera-Pagan, Jose; Cortes-Figueroa, Jose E.

    2007-01-01

    Cyclic voltammetry experiments on [60]fullerene, (C[subscript 60]), and (dihapto-[60]fullerene) pentacarbonyl tungsten(0), ([eta][superscript 2]-C[subscript 60])W(CO)[subscript 5], constitute an educational experiment for the inorganic chemistry laboratory with a primary objective to teach the chemical interpretation of a voltammogram, in…

  19. A Precise, Simple, and Low-Cost Experiment to Determine the Isobaric Expansion Coefficient for Physical Chemistry Students

    Science.gov (United States)

    Pe´rez, Eduardo

    2015-01-01

    The procedure of a physical chemistry experiment for university students must be designed in a way that the accuracy and precision of the measurements is properly maintained. However, in many cases, that requires costly and sophisticated equipment not readily available in developing countries. A simple, low-cost experiment to determine isobaric…

  20. Improvements in the modeling of crevice chemistry in PWR steam generators using the MULTEQ code

    International Nuclear Information System (INIS)

    The MULTEQ Code was developed to model the high temperature chemistry of the concentrated solutions which form in PWR Steam Generator (SG) crevices and flow restricted regions. Earlier versions of the code modeled the evaporation process as either a constant mass or constant volume system with a well-mixed liquid solution. Experiments performed in simulated heated crevices and more complex thermal hydraulic models suggest that the solution is not well-mixed. The degree of mixing strongly effects the behavior of both volatile and insoluble species in the crevice. The well-mixed models predict much lower concentrations of volatile species in the crevice than is observed in laboratory experiments and inferred from corrosion in the field. By removing both the steam and precipitates formed in a step-wise fashion, the constant mass model approximates the behavior in a solution which is not well-mixed. The basis for this new model is fully described in the paper. 9 refs., 4 figs

  1. Development of water chemistry data management system and its operational experience

    International Nuclear Information System (INIS)

    The demands on the water chemistry data management in a nuclear power plant have increased every year to ensure the safe and stabilized operation of the nuclear power plant. To increase the reliability of the fuel and equipment, dose reduction, and reduce radioactive waste are some of its objectives. Chemical data evaluation and diagnosis have been conducted by personnel experienced in water chemistry management. In view of these, we planned the development of data processing system which diagnoses the plant by detecting minute indications at an early stage to support the plant operation division and the chemical engineering division. A prototype system has been introduced into Tsuruga Power Station No. 2 unit (PWR, 1.160 MWe), in 1986. Based on this experience, a new system has been developed for both Tsuruga Power Station No. 1 unit (BWR, 357 MWe) and Tokai Second Power Station (BWR, 1.100 MWe), which diagnose the plants by means of chemical symptoms in addition to the same functions as Tsuruga Power Station unit No. 2 has had. This system has been being under partial operation since Apr. 1993. The development and situation after the introduction are reported as follows. (authors). 1 fig., 1 tab., 2 refs

  2. 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.

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

    Directory of Open Access Journals (Sweden)

    G. M. Wolfe

    2010-09-01

    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. It is the first model of its kind to incorporate the Master Chemical Mechanism (MCM and 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.

  4. Reducing Uncertainty in Chemistry Climate Model Predictions of Stratospheric Ozone

    Science.gov (United States)

    Douglass, A. R.; Strahan, S. E.; Oman, L. D.; Stolarski, R. S.

    2014-01-01

    Chemistry climate models (CCMs) are used to predict the future evolution of stratospheric ozone as ozone-depleting substances decrease and greenhouse gases increase, cooling the stratosphere. CCM predictions exhibit many common features, but also a broad range of values for quantities such as year of ozone-return-to-1980 and global ozone level at the end of the 21st century. Multiple linear regression is applied to each of 14 CCMs to separate ozone response to chlorine change from that due to climate change. We show that the sensitivity of lower atmosphere ozone to chlorine change deltaO3/deltaCly is a near linear function of partitioning of total inorganic chlorine (Cly) into its reservoirs; both Cly and its partitioning are controlled by lower atmospheric transport. CCMs with realistic transport agree with observations for chlorine reservoirs and produce similar ozone responses to chlorine change. After 2035 differences in response to chlorine contribute little to the spread in CCM results as the anthropogenic contribution to Cly becomes unimportant. Differences among upper stratospheric ozone increases due to temperature decreases are explained by differences in ozone sensitivity to temperature change deltaO3/deltaT due to different contributions from various ozone loss processes, each with their own temperature dependence. In the lower atmosphere, tropical ozone decreases caused by a predicted speed-up in the Brewer-Dobson circulation may or may not be balanced by middle and high latitude increases, contributing most to the spread in late 21st century predictions.

  5. Modular coupling of transport and chemistry: theory and model applications

    International Nuclear Information System (INIS)

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

  6. Experimental and modelling studies of the near-field chemistry for Nirex repository concepts

    International Nuclear Information System (INIS)

    A research programme is described which is designed to investigate the chemical conditions in the near field of a concrete based repository and the behaviour of the radiologically important nuclides under these conditions. The chemical conditions are determined by the corrosion of the iron components of the repository and by the soluble components of the concrete. Both of these have been investigated experimentally and models developed which have been validated by further experiment. The effect of these reactions on the repository pH and Eh, and how these develop in time and space have been modelled using a coupled chemical equilibrium and transport code. The solubility of the important nuclides are being studied experimentally under these conditions, and under sensible variations. These data have been used to refine the thermodynamic data base used for the geochemical code PHREEQE. The sorption behaviour of plutonium and americium, under the same conditions, have been studied; the sorption coefficients were found to be large and independent of the concrete formulation, particle size and solid liquid ratio. Recent experimental results from sorption/exchange experiments with lead and 14-carbon are also reported. The programme has also investigated experimentally the possible perturbation of the repository chemistry by microbial action and by natural and added organic material. A final set of experiments combine all the repository components and the waste in a long term equilibration experiment. (author)

  7. High-Latitude Stratospheric Sensitivity to QBO Width in a Chemistry-Climate Model with Parameterized Ozone Chemistry

    Science.gov (United States)

    Hurwitz, M. M.; Braesicke, P.; Pyle, J. A.

    2010-01-01

    In a pair of idealized simulations with a simplified chemistry-climate model, the sensitivity of the wintertime Arctic stratosphere to variability in the width of the quasi-biennial oscillation (QBO) is assessed. The width of the QBO appears to have equal influence on the Arctic stratosphere as does the phase (i.e. the Holton-Tan mechanism). In the model, a wider QBO acts like a preferential shift toward the easterly phase of the QBO, where zonal winds at 60 N tend to be relatively weaker, while 50 hPa geopotential heights and polar ozone values tend to be higher.

  8. Color Changes in Indicator Solutions. An Intriguing and Elucidative General Chemistry Experiment

    Science.gov (United States)

    Silva, César R.; Pereira, Renato B.; Sabadini, Edvaldo

    2001-07-01

    The simple dilution of an aqueous solution of the indicator (In) bromocresol green is proposed as an intriguing experiment for students of chemistry. As the solution is diluted with water, its color changes strikingly from reddish to pale blue. These changes are related to changes in the absorption bands in the visible electronic spectra. The pKIn can be determined through the Henderson-Hasselbalch equation by plotting the pH values as a function of log([In-]/[HIn]). The concentration, in mol L-1, of the HIn species can be determined by measuring the absorbance at 440 nm and using the e value determined from the Beer's law plot. [In-] is calculated from the difference between the initial HIn concentration and the observed [HIn]. Students will be able to conclude that the dissociated fraction of a weak acid increases with dilution. See Letter re: this article.

  9. O3-N2O correlations from the Atmospheric Chemistry Experiment: Revisiting a diagnostic of transport and chemistry in the stratosphere

    Science.gov (United States)

    Hegglin, Michaela I.; Shepherd, Theodore G.

    2007-10-01

    Our knowledge of stratospheric O3-N2O correlations is extended, and their potential for model-measurement comparison assessed, using data from the Atmospheric Chemistry Experiment (ACE) satellite and the Canadian Middle Atmosphere Model (CMAM). ACE provides the first comprehensive data set for the investigation of interhemispheric, interseasonal, and height-resolved differences of the O3-N2O correlation structure. By subsampling the CMAM data, the representativeness of the ACE data is evaluated. In the middle stratosphere, where the correlations are not compact and therefore mainly reflect the data sampling, joint probability density functions provide a detailed picture of key aspects of transport and mixing, but also trace polar ozone loss. CMAM captures these important features, but exhibits a displacement of the tropical pipe into the Southern Hemisphere (SH). Below about 21 km, the ACE data generally confirm the compactness of the correlations, although chemical ozone loss tends to destroy the compactness during late winter/spring, especially in the SH. This allows a quantitative comparison of the correlation slopes in the lower and lowermost stratosphere (LMS), which exhibit distinct seasonal cycles that reveal the different balances between diabatic descent and horizontal mixing in these two regions in the Northern Hemisphere (NH), reconciling differences found in aircraft measurements, and the strong role of chemical ozone loss in the SH. The seasonal cycles are qualitatively well reproduced by CMAM, although their amplitude is too weak in the NH LMS. The correlation slopes allow a "chemical" definition of the LMS, which is found to vary substantially in vertical extent with season.

  10. Bioorganic First: A New Model for the College Chemistry Curriculum

    Science.gov (United States)

    Reingold, I. David

    2001-07-01

    This commentary describes a new approach to the college chemistry curriculum, one that acknowledges that most of the students in the class are more interested in the life sciences than in chemistry. The curriculum is appropriate for both majors and nonmajors. It begins with an organic course that emphasizes connections to biology but leaves out some of the more esoteric topics of sophomore organic chemistry. Sophomore year continues with the more physical material that is traditionally taught to freshmen, but at a higher level. There is a junior-level course that fills in the organic material missing from the freshman course, but is now taught only to those who will need it. The article describes these courses, documents the success of the approach, and points out some of the problems associated with it.

  11. An Overview of the Lightning - Atmospheric Chemistry Aspects of the Deep Convective Clouds and Chemistry (DC3) Experiment

    Science.gov (United States)

    Pickering, K. E.; Barth, M. C.; Koshak, W.; Bucsela, E. J.; Allen, D. J.; Weinheimer, A.; Ryerson, T.; Huntrieser, H.; Bruning, E.; MacGorman, D.; Krehbiel, P.; Thomas, R.; Carey, L.

    2012-01-01

    Some of the major goals of the DC3 experiment are to determine the contribution of lightning to NO(x) in the anvils of observed thunderstorms, examine the relationship of lightning NO(x) production to flash rates and to lightning channel lengths, and estimate the relative production per flash for cloud-to-ground flashes and intracloud flashes. In addition, the effects of lightning NO(x) production on photochemistry downwind of thunderstorms is also being examined. The talk will survey the observation types that were conducted during DC3 relevant to these goals and provide an overview of the analysis and modeling techniques which are being used to achieve them. NO(x) was observed on three research aircraft during DC3 (the NCAR G-V, the NASA DC-8, and the DLR Falcon) in flights through storm anvils in three study regions (NE Colorado, Central Oklahoma to West Texas, and northern Alabama) where lightning mapping arrays (LMAs) and radar coverage were available. Initial comparisons of the aircraft NOx observations in storm anvils relative to flash rates have been conducted, which will be followed with calculations of the flux of NO(x) through the anvils, which when combined with observed flash rates can be used to estimate storm-average lightning NOx production per flash. The WRF-Chem model will be run for cloud-resolved simulations of selected observed storms during DC3. Detailed lightning information from the LMAs (flash rates and flash lengths as a function of time and vertical distributions of flash channel segments) will be input to the model along with assumptions concerning NO(x) production per CG flash and per IC flash. These assumptions will be tested through comparisons with the aircraft NOx data from anvil traverses. A specially designed retrieval method for lightning NO2 column amounts from the OMI instrument on NASA fs Aura satellite has been utilized to estimate NO2 over the region affected by selected DC3 storms. Combined with NO(x) to NO2 ratios from the

  12. Radiation chemistry of salicylic and methyl substituted salicylic acids: Models for the radiation chemistry of pharmaceutical compounds

    International Nuclear Information System (INIS)

    Salicylic acid and its derivatives are components of many medications and moieties found in numerous pharmaceutical compounds. They have been used as models for various pharmaceutical compounds in pharmacological studies, for the treatment of pharmaceuticals and personal care products (PPCPs), and, reactions with natural organic matter (NOM). In this study, the radiation chemistry of benzoic acid, salicylic acid and four methyl substituted salicylic acids (MSA) is reported. The absolute bimolecular reaction rate constants for hydroxyl radical reaction with benzoic and salicylic acids as well as 3-methyl-, 4-methyl-, 5-methyl-, and 6-methyl-salicylic acid were determined (5.86±0.54)×109, (1.07±0.07)×1010, (7.48±0.17)×109, (7.31±0.29)×109, (5.47±0.25)×109, (6.94±0.10)×109 (M−1 s−1), respectively. The hydrated electron reaction rate constants were measured (3.02±0.10)×109, (8.98±0.27)×109, (5.39±0.21)×109, (4.33±0.17)×109, (4.72±0.15)×109, (1.42±0.02)×109 (M−1 s−1), respectively. The transient absorption spectra for the six model compounds were examined and their role as model compounds for the radiation chemistry of pharmaceuticals investigated. - Highlights: • Free radical chemistry of salicylic and 4 methyl salicylic acids is investigated. • The transient absorptions spectra for model compounds are measured. • Absolute bimolecular reaction rate constants for hydroxyl radical are determined. • Solvated electron reaction rate constants are calculated. • The use of salicylic acids as models for pharmaceuticals is explored

  13. Reducing cognitive load in the chemistry laboratory by using technology-driven guided inquiry experiments

    Science.gov (United States)

    Hubacz, Frank, Jr.

    The chemistry laboratory is an integral component of the learning experience for students enrolled in college-level general chemistry courses. Science education research has shown that guided inquiry investigations provide students with an optimum learning environment within the laboratory. These investigations reflect the basic tenets of constructivism by engaging students in a learning environment that allows them to experience what they learn and to then construct, in their own minds, a meaningful understanding of the ideas and concepts investigated. However, educational research also indicates that the physical plant of the laboratory environment combined with the procedural requirements of the investigation itself often produces a great demand upon a student's working memory. This demand, which is often superfluous to the chemical concept under investigation, creates a sensory overload or extraneous cognitive load within the working memory and becomes a significant obstacle to student learning. Extraneous cognitive load inhibits necessary schema formation within the learner's working memory thereby impeding the transfer of ideas to the learner's long-term memory. Cognitive Load Theory suggests that instructional material developed to reduce extraneous cognitive load leads to an improved learning environment for the student which better allows for schema formation. This study first compared the cognitive load demand, as measured by mental effort, experienced by 33 participants enrolled in a first-year general chemistry course in which the treatment group, using technology based investigations, and the non-treatment group, using traditional labware, investigated identical chemical concepts on five different exercises. Mental effort was measured via a mental effort survey, a statistical comparison of individual survey results to a procedural step count, and an analysis of fourteen post-treatment interviews. Next, a statistical analysis of achievement was

  14. Organic chemistry in the atmosphere. [laboratory modeling of Titan atmosphere

    Science.gov (United States)

    Sagan, C.

    1974-01-01

    The existence of an at least moderately complex organic chemistry on Titan is stipulated based on clear evidence of methane, and at least presumptive evidence of hydrogen in its atmosphere. The ratio of methane to hydrogen is the highest of any atmosphere in the solar system. Irradiation of hydrogen/methane mixtures produces aromatic and aliphatic hydrocarbons. A very reasonable hypothesis assumes that the red cloud cover of Titan is made of organic chemicals. Two-carbon hydrocarbons experimentally produced from irradiated mixtures of methane, ammonia, water, and hydrogen bear out the possible organic chemistry of the Titanian environment.

  15. Chemistry Rocks: Redox Chemistry as a Geologic Tool.

    Science.gov (United States)

    Burns, Mary Sue

    2001-01-01

    Applies chemistry to earth science, uses rocks in chemistry laboratories, and teaches about transition metal chemistry, oxidation states, and oxidation-reduction reactions from firsthand experiences. (YDS)

  16. Introductory Chemistry: A Molar Relaxivity Experiment in the High School Classroom.

    Science.gov (United States)

    Dawsey, Anna C; Hathaway, Kathryn L; Kim, Susie; Williams, Travis J

    2013-07-01

    Dotarem and Magnevist, two clinically available magnetic resonance imaging (MRI) contrast agents, were assessed in a high school science classroom with respect to which is the better contrast agent. Magnevist, the more efficacious contrast agent, has negative side effects because its gadolinium center can escape from its ligand. However, Dotarem, though a less efficacious contrast agent, is a safer drug choice. After the experiment, students are confronted with the FDA warning on Magnevist, which enabled a discussion of drug efficacy versus safety. We describe a laboratory experiment in which NMR spin lattice relaxation rate measurements are used to quantify the relaxivities of the active ingredients of Dotarem and Magnevist. The spin lattice relaxation rate gives the average amount of time it takes the excited nucleus to relax back to the original state. Students learn by constructing molar relaxivity curves based on inversion recovery data sets that Magnevist is more relaxive than Dotarem. This experiment is suitable for any analytical chemistry laboratory with access to NMR. PMID:23929983

  17. Evaluation of a constructivist use of molecular modeling in first-year college chemistry

    Science.gov (United States)

    Ealy, Julie Bowen

    This study evaluates the integration of molecular modeling into first year college chemistry. Through various assessment measures two groups were compared on three dependent variables: achievement on a Final semester exam, a subset of visually oriented questions, and students' understanding of atomic and molecular structure. The treatment group used the molecular modeling program and the non-treatment group did not. Also obtained was information concerning students' mental models of atomic and molecular structure, their preference for physical vs. computer-generated molecular models, their opinions about the computer experience, and their indication of the helpfulness of three-dimensional visualization of atomic and/or molecular structure. A framework of constructivism was also assessed. The two groups were significantly different on both the Final semester exam and the subset of questions pertinent to molecular structure and mental visualization, but were not significantly different on their semester grade in the course or on the Final semester exam questions that did not include the subset. The use of molecular modeling appeared to enhance the conceptual understanding of the treatment group at the molecular level through their ability to manipulate images in three dimensions. Students' mental models of atoms varied from an orbital/electron cloud model to a solid sphere and their mental molecular models ranged from space-filling to an undefined boundary structure. Students reported advantages for both computer-generated and physical models. For computer-generated models they could change the proportions or the form of the model, they could obtain accurate measurements, view many molecules at one time, rapidly obtain information, and the computer provides more possibilities in terms of the future. Advantages of physical models were the ability to touch the models, move them around, and physically build models. The treatment group indicated that three

  18. Impact of improvements in volcanic implementation on atmospheric chemistry and climate in the GISS-E2 Model

    Science.gov (United States)

    Tsigaridis, Kostas; LeGrande, Allegra; Bauer, Susanne

    2015-04-01

    The representation of volcanic eruptions in climate models introduces some of the largest errors when evaluating historical simulations, partly due to the crude model parameterizations. We will show preliminary results from the Goddard Institute for Space Studies (GISS)-E2 model comparing traditional highly parameterized volcanic implementation (specified Aerosol Optical Depth, Effective Radius) to deploying the full aerosol microphysics module MATRIX and directly emitting SO2 allowing us the prognosically determine the chemistry and climate impact. We show a reasonable match in aerosol optical depth, effective radius, and forcing between the full aerosol implementation and reconstructions/observations of the Mt. Pinatubo 1991 eruption, with a few areas as targets for future improvement. This allows us to investigate not only the climate impact of the injection of volcanic aerosols, but also influences on regional water vapor, O3, and OH distributions. With the skill of the MATRIX volcano implementation established, we explore (1) how the height of the injection column of SO2 influence atmospheric chemistry and climate response, (2) how the initial condition of the atmosphere influences the climate and chemistry impact of the eruption with a particular focus on how ENSO and QBO and (3) how the coupled chemistry could mitigate the climate signal for much larger eruptions (i.e., the 1258 eruption, reconstructed to be ~10x Pinatubo). During each sensitivity experiment we assess the impact on profiles of water vapor, O3, and OH, and assess how the eruption impacts the budget of each.

  19. Bioinorganic Chemistry Modeled with the TPSSh Density Functional

    DEFF Research Database (Denmark)

    Kepp, Kasper Planeta

    2008-01-01

    In this work, the TPSSh density functional has been benchmarked against a test set of experimental structures and bond energies for 80 transition-metal-containing diatomics. It is found that the TPSSh functional gives structures of the same quality as other commonly used hybrid and nonhybrid func...... promising density functional for use and further development within the field of bioinorganic chemistry....

  20. A Student Evaluation of Molecular Modeling in First Year College Chemistry

    Science.gov (United States)

    Ealy, Julie B.

    1999-12-01

    This three-year study involved an evaluation of molecular modeling by students in first year college chemistry. The molecular modeling program utilized was Spartan (Wavefunction, Inc., Irvine, California) on a UNIX-based platform with Silicon Graphics Indigo series workstations. A treatment group of 129 students visited a computer room four times during the semester for two-hour sessions. They completed exercises on periodic trends in atoms, structure of molecules, electronic structure of molecules such as MO and valence bond theory, and properties of organic molecules. The students were required to complete an evaluation of the molecular modeling computer experience at the end of the semester regarding aspects such as: effectiveness, integration with course content, interest, benefit, and advantages and disadvantages. Also obtained through the evaluation were students' opinions regarding the helpfulness of the molecular modeling computer experience for 3-D visualization of atomic and molecular structure and whether their understanding of atomic and molecular structure was enhanced. The first two years of the study constituted a pilot study and data for this study were obtained in the third year. Though the specifics are not reported here, quantitatively the achievement of the treatment and non-treatment groups was also assessed. There was a significant difference in achievement on the Final Exam of the semester ( p = 0.0067) between the treatment and non-treatment groups on multiple choice questions pertaining to concepts of resonance, dipole moment, and atomic/molecular stoichiometry.

  1. Experiences & Tools from Modeling Instruction Applied to Earth Sciences

    Science.gov (United States)

    Cervenec, J.; Landis, C. E.

    2012-12-01

    The Framework for K-12 Science Education calls for stronger curricular connections within the sciences, greater depth in understanding, and tasks higher on Bloom's Taxonomy. Understanding atmospheric sciences draws on core knowledge traditionally taught in physics, chemistry, and in some cases, biology. If this core knowledge is not conceptually sound, well retained, and transferable to new settings, understanding the causes and consequences of climate changes become a task in memorizing seemingly disparate facts to a student. Fortunately, experiences and conceptual tools have been developed and refined in the nationwide network of Physics Modeling and Chemistry Modeling teachers to build necessary understanding of conservation of mass, conservation of energy, particulate nature of matter, kinetic molecular theory, and particle model of light. Context-rich experiences are first introduced for students to construct an understanding of these principles and then conceptual tools are deployed for students to resolve misconceptions and deepen their understanding. Using these experiences and conceptual tools takes an investment of instructional time, teacher training, and in some cases, re-envisioning the format of a science classroom. There are few financial barriers to implementation and students gain a greater understanding of the nature of science by going through successive cycles of investigation and refinement of their thinking. This presentation shows how these experiences and tools could be used in an Earth Science course to support students developing conceptually rich understanding of the atmosphere and connections happening within.

  2. Modelling the chemistry of ozone, halogen compounds, and hydrocarbons in the arctic troposphere during spring

    OpenAIRE

    Sander, Rolf; Vogt, Rainer; Harris, Geoff W.; Crutzen, Paul J.

    2011-01-01

    The box model MoccaIce has been developed to study the chemistry of the arctic boundary layer. It treats chemical reactions in the gas phase and in the aerosol, as well as exchange between the 2 phases. Photolysis rates vary according to the solar declination during polar sunrise. Apart from the standard tropospheric chemistry of ozone, hydrocarbons, and nitrogen species, the reaction mechanism includes sulfur and the halogens Cl, Br, and I. Modeling an ozone depletion event, we found that io...

  3. The Chemistry Experiment Skills Competition to the Innovation and Chemistry Experiment Skills of Undergraduates%实验技能大赛对大学生化学实验技能培养及创新

    Institute of Scientific and Technical Information of China (English)

    赵祥华; 周莉; 王莉敏

    2016-01-01

    围绕实验技能大赛对大学生化学实验技能培养和创新展开简单论述,对当今大学生实验技能薄弱现状作出了具体分析,从化学实验技能大赛的形式以及竞赛在实验技能培养和创新中的作用两个方面作出了全面阐述。实践证明:开展实验技能大赛有利于促进学生化学实验技能的提高、激发学生的学习兴趣并能培养学生的创新能力。%Chemistry experiment skills competition for the innovation and chemistry experiment skills of undergraduates was discussed. A concrete analysis was made on the weak present situation of college students experiment skill, and a comprehensive elaboration about the form of the chemical experiment competition and its function in the training of innovation and chemistry experiment skills of undergraduates. The practice proved that it was beneficial to university students for the improvement of their chemical experiment skills, stimulation of their interests and cultivation of their innovation ability by carrying out experiment skill competition.

  4. Plutonium chemistry: a synthesis of experimental data and a quantitative model for plutonium oxide solubility

    International Nuclear Information System (INIS)

    The chemistry of plutonium is important for assessing potential behavior of radioactive waste under conditions of geologic disposal. This paper reviews experimental data on dissolution of plutonium oxide solids, describes a hybrid kinetic-equilibrium model for predicting steady-state Pu concentrations, and compares laboratory results with predicted Pu concentrations and oxidation-state distributions. The model is based on oxidation of PuO2 by water to produce PuO2+x, an oxide that can release Pu(V) to solution. Kinetic relationships between formation of PuO2+x, dissolution of Pu(V), disproportionation of Pu(V) to Pu(IV) and Pu(VI), and reduction of Pu(VI) are given and used in model calculations. Data from tests of pyrochemical salt wastes in brines are discussed and interpreted using the conceptual model. Essential data for quantitative modeling at conditions relevant to nuclear waste repositories are identified and laboratory experiments to determine rate constants for use in the model are discussed

  5. Use of Protecting Groups in Carbohydrate Chemistry: An Advanced Organic Synthesis Experiment

    Science.gov (United States)

    Cunha, Anna C.; Pereira, Leticia O. R.; de Souza, Maria Cecília B. V.; Ferreira, Vitor F.

    1999-01-01

    A simple and inexpensive three-step reaction sequence for advanced experimental organic chemistry using D-glucosamine hydrochloride as starting material for the synthesis of 2-amino-2-deoxy-1,3,4,6-tetra-O-acetyl-b-D-glucopyranose hydrochloride is described. D-Glucosamine hydrochloride is a carbohydrate derivative isolated from crab shells. It is inexpensive and readily available from most chemical companies. This reaction sequence is appropriate for teaching undergraduate students the correct use of protecting groups. This is a major concept in organic synthesis and one of the determinant factors in the successful realization of multiple-step synthetic projects. The aim of the experiment is to protect the hydroxyl groups of D-glucosamine leaving its amino group as hydrochloride salt. The experiment deals only with protection and deprotection reactions. All products are crystalline substances. The amino group of d-glucosamine hydrochloride is protected by a condensation reaction with p-methoxybenzaldehyde to produce the Schiff's base as a mixture of a- and b-anomers. The second step involves the protection of all hydroxyl groups by esterification reaction using acetic anhydride, forming the imino-tetraacetate derivative as the b-anomer. The stereospecificity of this reaction at the anomeric center is due to the voluminous imino group at C-2. Removal of the amino protection group of this derivative is the final step, which can be accomplished by a selective acid hydrolysis affording the desired peracylated D-glucosamine hydrochloride.

  6. Zinc addition experience in BWRs under normal and hydrogen addition chemistry

    International Nuclear Information System (INIS)

    Experience at GE BWRs has shown that DZO (Depleted zinc oxide) addition is a viable method for reactor water activity reduction, piping dose rate reduction and radiation worker exposure control, even for plants injecting moderate HWC (Hydrogen water chemistry) for IGSCC (Intergranular stress corrosion crack) mitigation. It is recommended that zinc addition be practiced only with DZO and that reactor water concentrations of 5-10 ppb zinc be maintained during plant operation. Other methods for dose control such as source term reduction and decontamination are also viable but should be evaluated on a cost benefit basis. Plant data supplied from the GE BWRs in this report have been acquired from plants with varying levels of feedwater iron and cobalt input, different decontamination histories and varied operating experience, yet all have observed significant benefits from zinc addition. It is also recommended that HWC be practiced with minimal cycling and that the required level of hydrogen injection for IGSCC control be performed. (J.P.N.)

  7. Radiation chemistry of salicylic and methyl substituted salicylic acids: Models for the radiation chemistry of pharmaceutical compounds

    Science.gov (United States)

    Ayatollahi, Shakiba; Kalnina, Daina; Song, Weihua; Turks, Maris; Cooper, William J.

    2013-11-01

    Salicylic acid and its derivatives are components of many medications and moieties found in numerous pharmaceutical compounds. They have been used as models for various pharmaceutical compounds in pharmacological studies, for the treatment of pharmaceuticals and personal care products (PPCPs), and, reactions with natural organic matter (NOM). In this study, the radiation chemistry of benzoic acid, salicylic acid and four methyl substituted salicylic acids (MSA) is reported. The absolute bimolecular reaction rate constants for hydroxyl radical reaction with benzoic and salicylic acids as well as 3-methyl-, 4-methyl-, 5-methyl-, and 6-methyl-salicylic acid were determined (5.86±0.54)×109, (1.07±0.07)×1010, (7.48±0.17)×109, (7.31±0.29)×109, (5.47±0.25)×109, (6.94±0.10)×109 (M-1 s-1), respectively. The hydrated electron reaction rate constants were measured (3.02±0.10)×109, (8.98±0.27)×109, (5.39±0.21)×109, (4.33±0.17)×109, (4.72±0.15)×109, (1.42±0.02)×109 (M-1 s-1), respectively. The transient absorption spectra for the six model compounds were examined and their role as model compounds for the radiation chemistry of pharmaceuticals investigated.

  8. Deep ocean model penetrator experiments

    International Nuclear Information System (INIS)

    Preliminary trials of experimental model penetrators in the deep ocean have been conducted as an international collaborative exercise by participating members (national bodies and the CEC) of the Engineering Studies Task Group of the Nuclear Energy Agency's Seabed Working Group. This report describes and gives the results of these experiments, which were conducted at two deep ocean study areas in the Atlantic: Great Meteor East and the Nares Abyssal Plain. Velocity profiles of penetrators of differing dimensions and weights have been determined as they free-fell through the water column and impacted the sediment. These velocity profiles are used to determine the final embedment depth of the penetrators and the resistance to penetration offered by the sediment. The results are compared with predictions of embedment depth derived from elementary models of a penetrator impacting with a sediment. It is tentatively concluded that once the resistance to penetration offered by a sediment at a particular site has been determined, this quantity can be used to sucessfully predict the embedment that penetrators of differing sizes and weights would achieve at the same site

  9. Update on microkinetic modeling of lean NOx trap chemistry.

    Energy Technology Data Exchange (ETDEWEB)

    Larson, Richard S.; Daw, C. Stuart (Oak Ridge National Laboratory, Oak Ridge, TN); Pihl, Josh A. (Oak Ridge National Laboratory, Oak Ridge, TN); Choi, Jae-Soon (Oak Ridge National Laboratory, Oak Ridge, TN); Chakravarthy, V, Kalyana (Oak Ridge National Laboratory, Oak Ridge, TN)

    2010-04-01

    Our previously developed microkinetic model for lean NOx trap (LNT) storage and regeneration has been updated to address some longstanding issues, in particular the formation of N2O during the regeneration phase at low temperatures. To this finalized mechanism has been added a relatively simple (12-step) scheme that accounts semi-quantitatively for the main features observed during sulfation and desulfation experiments, namely (a) the essentially complete trapping of SO2 at normal LNT operating temperatures, (b) the plug-like sulfation of both barium oxide (NOx storage) and cerium oxide (oxygen storage) sites, (c) the degradation of NOx storage behavior arising from sulfation, (d) the evolution of H2S and SO2 during high temperature desulfation (temperature programmed reduction) under H2, and (e) the complete restoration of NOx storage capacity achievable through the chosen desulfation procedure.

  10. Extraction and [superscript 1]H NMR Analysis of Fats from Convenience Foods: A Laboratory Experiment for Organic Chemistry

    Science.gov (United States)

    Hartel, Aaron M.; Moore, Amy C.

    2014-01-01

    The extraction and analysis of fats from convenience foods (crackers, cookies, chips, candies) has been developed as an experiment for a second-year undergraduate organic chemistry laboratory course. Students gravimetrically determine the fat content per serving and then perform a [superscript 1]H NMR analysis of the recovered fat to determine the…

  11. An Advanced Analytical Chemistry Experiment Using Gas Chromatography-Mass Spectrometry, MATLAB, and Chemometrics to Predict Biodiesel Blend Percent Composition

    Science.gov (United States)

    Pierce, Karisa M.; Schale, Stephen P.; Le, Trang M.; Larson, Joel C.

    2011-01-01

    We present a laboratory experiment for an advanced analytical chemistry course where we first focus on the chemometric technique partial least-squares (PLS) analysis applied to one-dimensional (1D) total-ion-current gas chromatography-mass spectrometry (GC-TIC) separations of biodiesel blends. Then, we focus on n-way PLS (n-PLS) applied to…

  12. [60]Fullerene Displacement from (Dihapto-Buckminster-Fullerene) Pentacarbonyl Tungsten(0): An Experiment for the Inorganic Chemistry Laboratory, Part II

    Science.gov (United States)

    Cortes-Figueroa, Jose E.; Moore-Russo, Deborah A.

    2006-01-01

    The kinetics experiments on the ligand-C[subscript 60] exchange reactions on (dihapto-[60]fullerene) pentacarbonyl tungsten(0), ([eta][superscript 2]-C[subscript 60])W(CO)[subscript 5], form an educational activity for the inorganic chemistry laboratory that promotes graphical thinking as well as the understanding of kinetics, mechanisms, and the…

  13. The Quantitative Resolution of a Mixture of Group II Metal Ions by Thermometric Titration with EDTA. An Analytical Chemistry Experiment.

    Science.gov (United States)

    Smith, Robert L.; Popham, Ronald E.

    1983-01-01

    Presents an experiment in thermometric titration used in an analytic chemistry-chemical instrumentation course, consisting of two titrations, one a mixture of calcium and magnesium, the other of calcium, magnesium, and barium ions. Provides equipment and solutions list/specifications, graphs, and discussion of results. (JM)

  14. A Simple Experiment in the Separation of a Solid-Phase Mixture and Infrared Spectroscopy for Introductory Chemistry

    Science.gov (United States)

    Szalay, Paul S.

    2008-01-01

    This experiment was developed as a means of incorporating instrumental analyses into an introductory chemistry laboratory. A two-component solid mixture of caffeine and ibuprofen is separated through a series of solution extractions and precipitation and their relative amounts measured. These compounds were chosen because the combination of…

  15. Synthesis of Hollow Gold-Silver Alloyed Nanoparticles: A "Galvanic Replacement" Experiment for Chemistry and Engineering Students

    Science.gov (United States)

    Jenkins, Samir V.; Gohman, Taylor D.; Miller, Emily K.; Chen, Jingyi

    2015-01-01

    The rapid academic and industrial development of nanotechnology has led to its implementation in laboratory teaching for undergraduate-level chemistry and engineering students. This laboratory experiment introduces the galvanic replacement reaction for synthesis of hollow metal nanoparticles and investigates the optical properties of these…

  16. Temperature and Electron Density Determination on Laser-Induced Breakdown Spectroscopy (LIBS) Plasmas: A Physical Chemistry Experiment

    Science.gov (United States)

    Najarian, Maya L.; Chinni, Rosemarie C.

    2013-01-01

    This laboratory is designed for physical chemistry students to gain experience using laser-induced breakdown spectroscopy (LIBS) in understanding plasma diagnostics. LIBS uses a high-powered laser that is focused on the sample causing a plasma to form. The emission of this plasma is then spectrally resolved and detected. Temperature and electron…

  17. Binary Solid-Liquid Phase Diagram of Phenol and t-Butanol: An Undergraduate Physical Chemistry Experiment

    Science.gov (United States)

    Xu, Xinhua; Wang, Xiaogang; Wu, Meifen

    2014-01-01

    The determination of the solid-liquid phase diagram of a binary system is always used as an experiment in the undergraduate physical chemistry laboratory courses. However, most phase diagrams investigated in the lab are simple eutectic ones, despite the fact that complex binary solid-liquid phase diagrams are more common. In this article, the…

  18. Using an Advanced Computational Laboratory Experiment to Extend and Deepen Physical Chemistry Students' Understanding of Atomic Structure

    Science.gov (United States)

    Hoffman, Gary G.

    2015-01-01

    A computational laboratory experiment is described, which involves the advanced study of an atomic system. The students use concepts and techniques typically covered in a physical chemistry course but extend those concepts and techniques to more complex situations. The students get a chance to explore the study of atomic states and perform…

  19. Sol-Gel Synthesis of a Biotemplated Inorganic Photocatalyst: A Simple Experiment for Introducing Undergraduate Students to Materials Chemistry

    Science.gov (United States)

    Boffa, Vittorio; Yue, Yuanzheng; He, Wen

    2012-01-01

    As part of a laboratory course, undergraduate students were asked to use baker's yeast cells as biotemplate in preparing TiO[subscript 2] powders and to test the photocatalytic activity of the resulting materials. This laboratory experience, selected because of the important environmental implications of soft chemistry and photocatalysis, provides…

  20. Removal of Aromatic Pollutant Surrogate from Water by Recyclable Magnetite-Activated Carbon Nanocomposite: An Experiment for General Chemistry

    Science.gov (United States)

    Furlan, Ping Y.; Melcer, Michael E.

    2014-01-01

    A general chemistry laboratory experiment using readily available chemicals is described to introduce college students to an exciting class of nanocomposite materials. In a one-step room temperature synthetic process, magnetite nanoparticles are embedded onto activated carbon matrix. The resultant nanocomposite has been shown to combine the…

  1. Experiments beyond the standard model

    International Nuclear Information System (INIS)

    This paper is based upon lectures in which I have described and explored the ways in which experimenters can try to find answers, or at least clues toward answers, to some of the fundamental questions of elementary particle physics. All of these experimental techniques and directions have been discussed fully in other papers, for example: searches for heavy charged leptons, tests of quantum chromodynamics, searches for Higgs particles, searches for particles predicted by supersymmetric theories, searches for particles predicted by technicolor theories, searches for proton decay, searches for neutrino oscillations, monopole searches, studies of low transfer momentum hadron physics at very high energies, and elementary particle studies using cosmic rays. Each of these subjects requires several lectures by itself to do justice to the large amount of experimental work and theoretical thought which has been devoted to these subjects. My approach in these tutorial lectures is to describe general ways to experiment beyond the standard model. I will use some of the topics listed to illustrate these general ways. Also, in these lectures I present some dreams and challenges about new techniques in experimental particle physics and accelerator technology, I call these Experimental Needs. 92 references

  2. Experiments beyond the standard model

    Energy Technology Data Exchange (ETDEWEB)

    Perl, M.L.

    1984-09-01

    This paper is based upon lectures in which I have described and explored the ways in which experimenters can try to find answers, or at least clues toward answers, to some of the fundamental questions of elementary particle physics. All of these experimental techniques and directions have been discussed fully in other papers, for example: searches for heavy charged leptons, tests of quantum chromodynamics, searches for Higgs particles, searches for particles predicted by supersymmetric theories, searches for particles predicted by technicolor theories, searches for proton decay, searches for neutrino oscillations, monopole searches, studies of low transfer momentum hadron physics at very high energies, and elementary particle studies using cosmic rays. Each of these subjects requires several lectures by itself to do justice to the large amount of experimental work and theoretical thought which has been devoted to these subjects. My approach in these tutorial lectures is to describe general ways to experiment beyond the standard model. I will use some of the topics listed to illustrate these general ways. Also, in these lectures I present some dreams and challenges about new techniques in experimental particle physics and accelerator technology, I call these Experimental Needs. 92 references.

  3. Technical Note: A trace gas climatology derived from the Atmospheric Chemistry Experiment Fourier Transform Spectrometer (ACE-FTS data set

    Directory of Open Access Journals (Sweden)

    A. Jones

    2012-06-01

    Full Text Available The Atmospheric Chemistry Experiment-Fourier Transform Spectrometer (ACE-FTS aboard the Canadian satellite SCISAT (launched in August 2003 was designed to investigate the composition of the upper troposphere, stratosphere, and mesosphere. ACE-FTS utilizes solar occultation to measure temperature and pressure as well as vertical profiles of over thirty chemical species including O3, H2O, CH4, N2O, CO, NO, NO2, N2O5, HNO3, HCl, ClONO2, CCl3F, CCl2F2, and HF. Global coverage for each species is obtained approximately over a three month period and measurements are made with a vertical resolution of typically 3–4 km. A quality-controlled climatology has been created for each of these 14 baseline species, where individual profiles are averaged over the period of February 2004 to February 2009. Measurements used are from the ACE-FTS version 2.2 data set including updates for O3 and N2O5. The climatological fields are provided on a monthly and three-monthly basis (DJF, MAM, JJA, SON at 5 degree latitude and equivalent latitude spacing and on 28 pressure surfaces (26 of which are defined by the Stratospheric Processes And their Role in Climate (SPARC Chemistry-Climate Model Validation Activity. The ACE-FTS climatological data set is available through the ACE website.

  4. 农业院校《基础化学实验》教学中化学史的渗透%Introduction of Chemistry History into the Teaching of Basic Chemistry Experiment of Agricultural Universities

    Institute of Scientific and Technical Information of China (English)

    赵李霞; 付颖; 叶非

    2012-01-01

    基础化学实验课程是高等农业院校基础化学系列课程体系中的重要组成部分。在大一新生《基础化学实验》教学中渗透化学史教育,可以提高学生动手积极性,开拓学生实验思路,改善实验课堂教学效果。%In agricultural universities, basic chemistry experiment is an important part of chemistry curriculums. To freshmen of agricul- tural universities, learning basic chemistry experiment well could make good preparation for their further learning and practices. Introduction chemistry history into the teaching of basic chemistry experiment would improve teaching quality and stimulate students' learning interest.

  5. Modelling the multiphase chemistry occurring in orographic hill cap clouds during HCCT-2010

    Science.gov (United States)

    Tilgner, A.; Herrmann, H.; Bräuer, P.; Wolke, R.

    2013-12-01

    Tropospheric clouds and deliquesced particles are a complex multiphase and multi-component environment with simultaneously occurring gas and aqueous phase chemical transformations. Such aqueous phase chemical processes in cloud droplets are expected to proceed very efficient on short timescales and hence they are able to alter the chemical aerosol composition and the deduced physical properties on a global scale. Besides the physico-chemical aerosol processing, chemical aerosol-cloud interactions have significant effects on the whole multiphase oxidation budget. In order to improve the still limited understanding of the aerosol-cloud interactions, Lagrangian-type field experiments, where an orographic cloud is used as a natural flow-through reactor, are used for studying such processes in more detail. In Sept./Oct. 2010, the cloud passage experiment HCCT-2010 (Hill Cap Cloud Thuringia 2010) was conducted at Mt. Schmücke in Thuringia, Germany to study aerosol cloud interactions. As known from former cloud passage experiments, particularly associated model investigations including comparisons of model results with observations have considerably contributed to the interpretation of the measured field data. In the present study, the parcel model SPACCIM (SPectral Aerosol Cloud Chemistry Interaction Model) was applied to investigate the effects of multiphase chemical processing of tropospheric aerosol particles and trace gases resulting from a passage through an orographic cloud at Mt. Schmücke during HCCT-2010. The applied model combines a complex microphysical scheme with the detailed near-explicit multiphase chemistry mechanism MCMv3.1- CAPRAM3.5α with 11381 gas phase and over 3700 aqueous phase reactions. The measured physical and chemical data at the upwind site provided the basis for the model initialisation under real environmental conditions. SPACCIM simulations have been carried out for few cloud events, which provided appropriate meteorological and overflow

  6. A modelling study of the atmospheric chemistry of DMS using the global model, STOCHEM-CRI

    Science.gov (United States)

    Khan, M. A. H.; Gillespie, S. M. P.; Razis, B.; Xiao, P.; Davies-Coleman, M. T.; Percival, C. J.; Derwent, R. G.; Dyke, J. M.; Ghosh, M. V.; Lee, E. P. F.; Shallcross, D. E.

    2016-02-01

    The tropospheric chemistry of dimethylsulfide (DMS) is investigated using a global three-dimensional chemical transport model, STOCHEM with the CRIv2-R5 chemistry scheme. The tropospheric distribution of DMS and its removal at the surface by OH abstraction, OH addition, NO3 oxidation, and BrO oxidation is modelled. The study shows that the lifetime and global burden of DMS is ca. 1.2 days and 98 Gg S, respectively. Inclusion of BrO oxidation resulted in a reduction of the lifetime (1.0 day) and global burden (83 Gg S) of DMS showing that this reaction is important in the DMS budget. The percentage contribution of BrO oxidation to the total removal of DMS is found to be only 7.9% that is considered a lower limit because the study does not include an inorganic source of bromine from sea-salt. BrO oxidation contributed significantly in the high latitudes of the southern hemisphere (SH). Inclusion of DMS removal by Cl2 showed that potentially a large amount of DMS is removed via this reaction specifically in the remote SH oceans, depending on the flux of Cl2 from the Southern Ocean. Model DMS levels are evaluated against measurement data from six different sites around the globe. The model predicted the correct seasonal cycle for DMS at all locations and correlated well with measurement data for most of the periods.

  7. A Strategy for Process-Oriented Validation of Coupled Chemistry-Climate Models

    OpenAIRE

    Eyring, V.; Harris, N. R. P.; Rex, M.; Shepherd, T. G.; Fahey, D. W.; Amanatidis, G. T.; J. Austin; M. P. Chipperfield; Dameris, M.; P. M. De F. Forster; Gettelman, A.; Graf, H. F.; Nagashima, T.; Newman, P. A.; Pawson, S.

    2005-01-01

    Accurate and reliable predictions and an understanding of future changes in the stratosphere are of major importance to our understanding of climate change. Simulating the interaction between chemistry and climate is of particular importance, because continued increases in greenhouse gases and a slow decrease in halogen loading are expected. These both influence the abundance of stratospheric ozone. In recent years a number of coupled chemistry climate models (CCMs) with different levels of c...

  8. Heavy-ion-induced production and preseparation of short-livedisotopes for chemistry experiments

    Energy Technology Data Exchange (ETDEWEB)

    Dullmann, Christoph E.; Folden III, Charles M.; Gregorich, Kenneth E.; Hoffman, Darleane C.; Leitner, Daniela; Pang, Gregory K.; Sudowe, Ralf; Zielinski, Peter M.; Nitsche, Heino

    2005-02-24

    Physical separation of short-lived isotopes produced inheavy-ion-induced fusion reactions is a powerful and well know method andoften applied in investigations of the heaviest elements, called thetransactinides (Z>=104). By extracting these isotopes from a recoilseparator, they can be made available for transport to setups locatedoutside the heavily shielded irradiation position such as chemistrysetups. This physical preseparation technique overcomes many limitationscurrently faced in the chemical investigation of transactinides. Here wedescribe the basic principle using relatively short-lived isotopes of thelighter group 4 elements zirconium (Zr) and hafnium (Hf) that are used asanalogs of the lightest transactinide element, rutherfordium (Rf, element104). The Zr and Hf isotopes were produced at the LBNL 88-Inch Cyclotronusing a cocktail of 18O and 50Ti beams and the appropriate targets.Subsequently, the isotopes were physically separated in the BerkeleyGas-filled Separator (BGS) and guided to a Recoil Transfer Chamber (RTC)to transfer them to chemistry setups. The magnetic rigidities of thereaction products in low-pressure helium gas were measured and theiridentities determined with gamma-pectroscopy. Using preseparated isotopeshas the advantages of low background and beam plasma free environment forchemistry experiments. The new possibilities that open up for chemicalinvestigations of transactinide elements are descr ibed. The method canreadily be applied to homologous elements within other groups in theperiodic table.

  9. The adsorption of amino acids and cations onto goethite: a prebiotic chemistry experiment.

    Science.gov (United States)

    Farias, Ana Paula S F; Carneiro, Cristine E A; de Batista Fonseca, Inês C; Zaia, Cássia T B V; Zaia, Dimas A M

    2016-06-01

    Few prebiotic chemistry experiments have assessed the adsorption of biomolecules by iron oxide-hydroxides. The present work investigated the effects of cations in artificial seawaters on the adsorption of Gly, α-Ala and β-Ala onto goethite, and vice versa. Goethite served to concentrate K and Mg cations from solution; these effects could have played important roles in peptide nucleoside formation. Goethite showed low adsorption of Gly and α-Ala. On the other hand, β-Ala (a non-protein amino acid) was highly adsorbed by goethite. Because Gly and α-Ala are the most common amino acids in living beings, and iron oxide-hydroxides are widespread on Earth, additional iron oxides should be studied. Increased ionic strength in artificial seawaters decreased the adsorption of amino acids by goethite. Because Na was highly abundant in the artificial seawater, it showed the highest effect on amino acid adsorption. β-Ala increased the adsorption of K and Ca by goethite, this effect could have been important for peptide synthesis. PMID:26984319

  10. Modelling of a 400 kW natural gas diffusion flame using finite-rate chemistry schemes

    International Nuclear Information System (INIS)

    The Eddy-Dissipation Combustion Model combined with three different reaction mechanisms is applied to simulate a fuel-rich 400 kW natural gas diffusion flame. The chemical schemes include a global 2-step and a global 4-step approach as well as a reduced 4-step mechanism systematically derived from an elementary scheme. The species and temperature distributions resulting from the different schemes are studied in detail and compared to each other and to experiments. Furthermore the method of implementing finite-rate chemistry to the Eddy-Dissipation Combustion Model is discussed. (author)

  11. Computational chemistry

    OpenAIRE

    Truhlar, Donald G.; McKoy, Vincent

    2000-01-01

    Computational chemistry has come of age. With significant strides in computer hardware and software over the last few decades, computational chemistry has achieved full partnership with theory and experiment as a tool for understanding and predicting the behavior of a broad range of chemical, physical, and biological phenomena. The Nobel Prize award to John Pople and Walter Kohn in 1998 highlighted the importance of these advances in computational chemistry. With massively parallel computers ...

  12. Online coupled meteorology and chemistry models: history, current status, and outlook

    Directory of Open Access Journals (Sweden)

    Y. Zhang

    2008-02-01

    Full Text Available The climate-chemistry-aerosol-cloud-radiation feedbacks are important processes occurring in the atmosphere. Accurately simulating those feedbacks requires fully-coupled meteorology, climate, and chemistry models and presents significant challenges in terms of both scientific understanding and computational demand. This paper reviews the history and current status of development and application of online coupled models. Several representative online coupled meteorology and chemistry models developed in the U.S. such as GATOR-GCMOM, WRF/Chem, CAM3, MIRAGE, and Caltech unified GCM are included along with case studies. Major model features, physical/chemical treatments, as well as typical applications are compared with a focus on aerosol microphysics treatments, aerosol feedbacks to planetary boundary layer meteorology, and aerosol-cloud interactions. Recommendations for future development and improvement of online coupled models are provided.

  13. Global cloud and precipitation chemistry and wet deposition: tropospheric model simulations with ECHAM5/MESSy1

    Directory of Open Access Journals (Sweden)

    H. Tost

    2007-01-01

    Full Text Available The representation of cloud and precipitation chemistry and subsequent wet deposition of trace constituents in global atmospheric chemistry models is associated with large uncertainties. To improve the simulated trace gas distributions we apply the new submodel SCAV, which includes detailed cloud and precipitation chemistry and present results of the atmospheric chemistry general circulation model ECHAM5/MESSy1. A good agreement with observed wet deposition fluxes for species causing acid rain is obtained. The new scheme enables prognostic calculations of the pH of clouds and precipitation, and these results are also in accordance with observations. We address the influence of detailed cloud and precipitation chemistry on trace constituents based on sensitivity simulations. The results confirm previous results from regional scale and box models, and we extend the analysis to the role of aqueous phase chemistry on the global scale. Some species are directly affected through multiphase removal processes, and many also indirectly through changes in oxidant concentrations, which in turn have an impact on the species lifetime. While the overall effect on tropospheric ozone is relatively small (<10%, regional effects on O3 can reach ~20%, and several important compounds (e.g., H2O2, HCHO are substantially depleted by clouds and precipitation.

  14. Model for diffusion and porewater chemistry in compacted bentonite. Experimental arrangements and preliminary results of the porewater chemistry studies

    International Nuclear Information System (INIS)

    This report describes the progress of the experimental research on the porewater chemistry in bentonite. The research is part of the project Microstructural and chemical parameters of bentonite as determinants of waste isolation efficiency within the Nuclear Fission Safety Program organized by The Commission of the European Communities. The study was started by a literature overview on the properties of bentonite, porewater-sampling methods and obtained results. On the basis of the literature study, porewater extraction by squeezing seemed the most promising method for further development. The apparatus developed in this study consists of a pressing apparatus, which is used to create the necessary long-term compression, and of the compaction cell where porewater is separated from bentonite and collected in a syringe. The constant log-term force is maintained by a strong spring. An experimental study of solution-bentonite interactions was initiated. The parameters varied are the bentonite density, bentonite-water ratio, composition of the solutions, and the composition of bentonite. The report presents the experimental arrangements, the preliminary results for studying the evolution of water chemistry and the results of pre-modelling. (orig.) (27 refs.)

  15. Hydrodynamics of Bubble Bouncing on a Wall, Experiment and Modelling

    Czech Academy of Sciences Publication Activity Database

    Zedníková, Mária; Vejražka, Jiří; Růžička, Marek; Drahoš, Jiří

    Prague: Institute of Hydrodynamics ASCR, v.v.i, 2008 - (Chára, Z.; Klaboch, L.), s. 20-27 ISBN 978-80-87117-04-0. [XXII. Symposium on Anemometry. Holany-Litice (CZ), 03.06.2008-04.06.2008] R&D Projects: GA ČR GA104/07/1110; GA AV ČR(CZ) IAA200720801; GA AV ČR(CZ) KJB200720801 Institutional research plan: CEZ:AV0Z40720504 Keywords : hydrodynamics of bubble * experiments * modelling Subject RIV: CI - Industrial Chemistry, Chemical Engineering

  16. Combustion chemistry of alcohols: Experimental and modeled structure of a premixed 2-methylbutanol flame

    KAUST Repository

    Lucassen, Arnas

    2014-06-14

    This paper presents a detailed investigation of 2-methylbutanol combustion chemistry in low-pressure premixed flames. This chemistry is of particular interest to study because this compound is potentially a lignocellulosic-based, next-generation biofuel. The detailed chemical structure of a stoichiometric low-pressure (25 Torr) flame was determined using flame-sampling molecular-beam mass spectrometry. A total of 55 species were identified and subsequently quantitative mole fraction profiles as function of distance from the burner surface were determined. In an independent effort, a detailed flame chemistry model for 2-methylbutanol was assembled based on recent knowledge gained from combustion chemistry studies for butanol isomers ([Sarathy et al. Combust. Flame 159 (6) (2012) 2028-2055]) and iso-pentanol (3-methylbutanol) [Sarathy et al. Combust. Flame 160 (12) (2013) 2712-2728]. Experimentally determined and modeled mole fraction profiles were compared to demonstrate the model\\'s capabilities. Examples of individual mole fraction profiles are discussed together with the most significant fuel consumption pathways to highlight the combustion chemistry of 2-methylbutanol. Discrepancies between experimental and modeling results are used to suggest areas where improvement of the kinetic model would be needed. © 2014.

  17. The Learner Characteristics, Features of Desktop 3D Virtual Reality Environments, and College Chemistry Instruction: A Structural Equation Modeling Analysis

    Science.gov (United States)

    Merchant, Zahira; Goetz, Ernest T.; Keeney-Kennicutt, Wendy; Kwok, Oi-man; Cifuentes, Lauren; Davis, Trina J.

    2012-01-01

    We examined a model of the impact of a 3D desktop virtual reality environment on the learner characteristics (i.e. perceptual and psychological variables) that can enhance chemistry-related learning achievements in an introductory college chemistry class. The relationships between the 3D virtual reality features and the chemistry learning test as…

  18. Effects of '"Environmental Chemistry" Elective Course via Technology-Embedded Scientific Inquiry Model on Some Variables

    Science.gov (United States)

    Çalik, Muammer; Özsevgeç, Tuncay; Ebenezer, Jazlin; Artun, Hüseyin; Küçük, Zeynel

    2014-01-01

    The purpose of this study is to examine the effects of "environmental chemistry" elective course via Technology-Embedded Scientific Inquiry (TESI) model on senior science student teachers' (SSSTs) conceptions of environmental chemistry concepts/issues, attitudes toward chemistry, and technological pedagogical content knowledge…

  19. Field experience with advanced methods of on-line monitoring of water chemistry and corrosion degradation in nuclear power stations

    International Nuclear Information System (INIS)

    Advanced methods for on-line, in-situ water chemistry and corrosion monitoring in nuclear power stations have been developed during the past decade. The terms ''on-line'' and ''in-situ'' characterize approaches involving continuous measurement of relevant parameters in high temperature water, preferably directly in the systems and components and not in removed samples at room temperature. This paper describes the field experience to-date with such methods in terms of three examples: (1) On-line chemistry monitoring of the primary coolant during shutdown of a Type WWER-440 PWR. (2) Redox and corrosion potential measurements in final feedwater preheaters and steam generators of two large KWU PWRs over several cycles of plant operation. (3) Real-time, in-situ corrosion surveillance inside the calundia vault of a CANDU reactor. The way in which water chemistry sensors and corrosion monitoring sensors complement each other is outlined: on-line, in-situ measurement of pH, conductivity and redox potential gives information about the possible corrosivity of the environment. Electrochemical noise techniques display signals of corrosion activity under the actual environmental conditions. A common experience gained from separate use of these different types of sensors has been that new and additional information about plants and their actual process conditions is obtained. Moreover, they reveal the intimate relationship between the operational situation and its consequences for the quality of the working fluid and the corrosion behaviour of the plant materials. On this basis, the efficiency of the existing chemistry sampling and control system can be checked and corrosion degradation can be minimized. Furthermore, activity buildup in the primary circuit can be studied. Further significant advantages can be expected from an integration of these various types of sensors into a common water chemistry and corrosion surveillance system. For confirmation, a complete set of sensors

  20. Experiments in Physical Chemistry, Sixth Edition (by David P. Shoemaker, Carl W. Garland, and Joseph W. Nibler)

    Science.gov (United States)

    Feigerle, Charles S.

    1997-05-01

    McGraw-Hill: New York, 1996. xii + 778 pp. ISBN 0-07-057074-4. Experiments in Physical Chemistry has long been one of the best textbooks available for undergraduate courses in physical chemistry laboratory. The present edition follows a similar format as previous editions, consisting of (i) a series of introductory sections dealing with common aspects of all experiments, such as recording of data, report writing, data and error analysis, and the use of computer software to aide in these, (ii) 48 experiments spanning 12 fundamental areas, and (iii) a series of resource chapters providing an introduction to electronics, instruments, techniques, and procedures commonly utilized in the performance of experiments in physical chemistry. Some needed changes have been incorporated in this edition, most notably the addition of sections that recognize the increased role of computers in modern experimentation. In particular, the section on computer software has been expanded and moved ahead of the experiments. The use of word processing, spreadsheets, and symbolic mathematics programs is emphasized, with examples using some of the most popular commercial programs. Three new experiments have been added and a fourth substantially modified. Each of the 44 other experiments has undergone some review and modernization, and a much-needed section on safety issues has been added to each. A resource chapter on computer interfacing, treating data types, programming languages and interfacing has been added. Examples are given for programming RS-232 communication and analog/digital interface boards using visual basic routines. I recommend this book be given serious consideration as a text for a one- or two-semester course in physical chemistry laboratory. The approach to experimentation in physical chemistry, the experiments, and the techniques that are described can form a solid basis for such a course. My one criticism is that the text offers only a limited number of laser

  1. Carbon cycling and phytoplankton responses within highly-replicated shipboard carbonate chemistry manipulation experiments conducted around Northwest European Shelf Seas

    Science.gov (United States)

    Richier, S.; Achterberg, E. P.; Dumousseaud, C.; Poulton, A. J.; Suggett, D. J.; Tyrrell, T.; Zubkov, M. V.; Moore, C. M.

    2014-03-01

    The ongoing oceanic uptake of anthropogenic carbon dioxide (CO2) is significantly altering the carbonate chemistry of seawater, a phenomenon referred to as ocean acidification. Experimental manipulations have been increasingly used to gauge how continued ocean acidification will potentially impact marine ecosystems and their associated biogeochemical cycles in the future; however, results amongst studies, particularly when performed on natural communities, are highly variable, which in part likely reflects inconsistencies in experimental approach. To investigate the potential for identification of more generic responses and greater experimentally reproducibility, we devised and implemented a series of highly replicated (n = 8), short term (2-4 days) multi-level (≥ 4 conditions) carbonate chemistry/nutrient manipulation experiments on a range of natural microbial communities sampled in Northwest European shelf seas. Carbonate chemistry manipulations and resulting biological responses were found to be highly reproducible within individual experiments and to a lesser extent between geographically different experiments. Statistically robust reproducible physiological responses of phytoplankton to increasing pCO2, characterized by a suppression of net growth for small sized cells (< 10 μm), were observed in the majority of the experiments, irrespective of nutrient status. Remaining between-experiment variability was potentially linked to initial community structure and/or other site-specific environmental factors. Analysis of carbon cycling within the experiments revealed the expected increased sensitivity of carbonate chemistry to biological processes at higher pCO2 and hence lower buffer capacity. The results thus emphasize how biological-chemical feedbacks may be altered in the future ocean.

  2. Phytoplankton responses and associated carbon cycling during shipboard carbonate chemistry manipulation experiments conducted around Northwest European shelf seas

    Science.gov (United States)

    Richier, S.; Achterberg, E. P.; Dumousseaud, C.; Poulton, A. J.; Suggett, D. J.; Tyrrell, T.; Zubkov, M. V.; Moore, C. M.

    2014-09-01

    The ongoing oceanic uptake of anthropogenic carbon dioxide (CO2) is significantly altering the carbonate chemistry of seawater, a phenomenon referred to as ocean acidification. Experimental manipulations have been increasingly used to gauge how continued ocean acidification will potentially impact marine ecosystems and their associated biogeochemical cycles in the future; however, results amongst studies, particularly when performed on natural communities, are highly variable, which may reflect community/environment-specific responses or inconsistencies in experimental approach. To investigate the potential for identification of more generic responses and greater experimentally reproducibility, we devised and implemented a series (n = 8) of short-term (2-4 days) multi-level (≥4 conditions) carbonate chemistry/nutrient manipulation experiments on a range of natural microbial communities sampled in Northwest European shelf seas. Carbonate chemistry manipulations and resulting biological responses were found to be highly reproducible within individual experiments and to a lesser extent between geographically separated experiments. Statistically robust reproducible physiological responses of phytoplankton to increasing pCO2, characterised by a suppression of net growth for small-sized cells (<10 μm), were observed in the majority of the experiments, irrespective of natural or manipulated nutrient status. Remaining between-experiment variability was potentially linked to initial community structure and/or other site-specific environmental factors. Analysis of carbon cycling within the experiments revealed the expected increased sensitivity of carbonate chemistry to biological processes at higher pCO2 and hence lower buffer capacity. The results thus emphasise how biogeochemical feedbacks may be altered in the future ocean.

  3. Modeling the surface chemistry of biomass model compounds on oxygen-covered Rh(100).

    Science.gov (United States)

    Caglar, B; Niemantsverdriet, J W Hans; Weststrate, C J Kees-Jan

    2016-08-24

    Rhodium-based catalysts are potential candidates to process biomass and serve as a representation of the class of noble metal catalysts for biomass-related processes. Biomass can be processed in aqueous media (hydrolysis and aqueous phase reforming), and in this case the surface chemistry involves hydroxyl (OH) species. In our study this was modelled by the presence of pre-adsorbed oxygen. Ethylene glycol, with a hydroxyl group on every carbon atom, serves as a model compound to understand the conversion of biomass derived molecules into desirable chemicals on catalytically active metal surfaces. Ethanol (containing one OH group) serves as a reference molecule for ethylene glycol (containing two OH groups) to understand the interaction of C-OH functionalities with a Rh(100) surface. The surface chemistry of ethylene glycol and ethanol in the presence of pre-adsorbed oxygen on a Rh(100) surface has been studied via temperature programmed reaction spectroscopy (TPRS) and reflection absorption infrared spectroscopy (RAIRS) using various coverages of O(ad) and ethylene glycol and ethanol. Pre-adsorbed oxygen alters the decomposition chemistry of both compounds, thereby affecting the product distribution. Under an oxygen-lean condition, the selectivity to produce methane from ethanol is enhanced significantly (4.5-fold with respect to that obtained on the oxygen-free surface). For ethylene glycol, oxygen-lean conditions promote the formation of formaldehyde, with 10-15% selectivity. In addition, with Oad present the fraction of molecules that decompose on the surface increases 2-fold for ethanol and 1.5-fold for ethylene glycol, due to fast O-H bond activation by pre-adsorbed oxygen. Under oxygen-rich conditions, the decomposition products are mainly oxidized to carbon dioxide and water for both molecules. In this condition, the promotion effect provided by adsorbed oxygen for the dissociative adsorption of ethanol and ethylene glycol is reduced due to the site blocking

  4. Toward an Earth system model: atmospheric chemistry, coupling, and petascale computing

    International Nuclear Information System (INIS)

    Atmospheric chemicals and aerosols are interactive components of the Earth system, with implications for climate. As part of the SciDAC climate consortium of labs we have implemented a flexible state-of-the-art atmospheric chemistry and aerosol capability into the Community Climate System Model (CCSM). We have also developed a fast chemistry mechanism that agrees well with observations and is computationally more efficient than our more complex chemistry mechanisms. We are working with other colleagues to couple this capability with the biospheric and aerosol-cloud interaction capabilities that are being developed for the CCSM model to create an Earth system model. However, to realise the potential of this Earth system model will require a move from terascale to petascale computing, and the greatest benefit will come from well balanced computers and a balance between capability and capacity computing

  5. Modeling the Experience of Emotion

    OpenAIRE

    Broekens, Joost

    2009-01-01

    Affective computing has proven to be a viable field of research comprised of a large number of multidisciplinary researchers resulting in work that is widely published. The majority of this work consists of computational models of emotion recognition, computational modeling of causal factors of emotion and emotion expression through rendered and robotic faces. A smaller part is concerned with modeling the effects of emotion, formal modeling of cognitive appraisal theory and models of emergent...

  6. Mathematical Modeling of Complex Reaction Systems for Computer-Aided Control and its Illustration on Atmospheric Chemistry

    Science.gov (United States)

    Amiryan, A.

    2015-12-01

    Modeling of sequential process has its own importance in Atmospheric Chemistry. Numerical calculations which allow to predict separate stages and components of chemical reaction make possible the reaction management, such is the new and perspective direction in chemical researches. Chemical processes basically pass multiple simple stages where various atoms and radicals participate. The complex chain of chemical reactionary systems complicates their research and the research is impossible without new methods of mathematical simulation and high technologies which allow not only to explain results of experiments but also to predict dynamics of processes. A new program package is suggested for solving research problems of chemical kinetics. The program is tested on different illustrative examples on Atmospheric Chemistry and installed in various scientific and educational institutions.

  7. Constructing a Coherent Problem Model to Facilitate Algebra Problem Solving in a Chemistry Context

    Science.gov (United States)

    Ngu, Bing Hiong; Yeung, Alexander Seeshing; Phan, Huy P.

    2015-01-01

    An experiment using a sample of 11th graders compared text editing and worked examples approaches in learning to solve dilution and molarity algebra word problems in a chemistry context. Text editing requires students to assess the structure of a word problem by specifying whether the problem text contains sufficient, missing, or irrelevant…

  8. Operating experience in correcting severe secondary chemistry upsets by controlling makeup water organics (TOC)

    International Nuclear Information System (INIS)

    In this paper following observations are presented: conductivity and chloride excursions in steam condensate were directly linked to makeup water quality. Data strongly suggests that the breakdown of makeup water organics was responsible for substandard condensate water quality; although the short-term effects of gross organic contamination have been documented, the longer term consequences of continuous exposure by moderate organic levels needs to be addressed; a greater understanding of the organic removal efficiency of the various water purification technologies is essential to controlling TOC contamination; and a much better understanding of makeup plant chemistry and the interrelationship of makeup water contamination and plant chemistry has proven essential to optimizing plant performance and guaranteeing the best possible steam chemistry. The role of the chemistry group as an active participant in operations has been proven at Kewaunee Nuclear Plant

  9. Integrated sorption and diffusion model for bentonite. Part 2. Porewater chemistry, sorption and diffusion modeling in compacted systems

    International Nuclear Information System (INIS)

    It is important to understand the coupled processes of sorption and diffusion of radionuclides (RNs) in compacted bentonite, and to develop mechanistic models that can aid in the prediction of the long-term performance of geological disposal systems of radioactive waste. The integrated sorption and diffusion (ISD) model was developed based on the consistent combination of clay–water interaction, sorption and diffusion models. The diffusion model based on the electrical double layer theory describing relative ionic concentrations and viscoelectric effects at the negatively charged clay surface was coupled with porewater chemistry and sorption models. This ISD model was successfully tested for various actinides with a complex chemistry (Np(V), Am(III), U(VI) under conditions where variably charged carbonate complexes are formed) considered in Part 1, by using published diffusion and sorption data (Da, De, Kd) as a function of partial montmorillonite density. Quantitative agreements were observed by considering uncertainty in porewater chemistry and dominant aqueous species. It can therefore be concluded that the ISD model developed here is able to adequately explain the sorption and diffusion behavior of various RNs with a complex chemistry in compacted bentonites. The performed modeling indicates that uncertainties are mainly related to porewater chemistry and RN speciation and that these parameters need to be carefully evaluated. (author)

  10. An Integrated Visualization and Basic Molecular Modeling Laboratory for First-Year Undergraduate Medicinal Chemistry

    Science.gov (United States)

    Hayes, Joseph M.

    2014-01-01

    A 3D model visualization and basic molecular modeling laboratory suitable for first-year undergraduates studying introductory medicinal chemistry is presented. The 2 h practical is embedded within a series of lectures on drug design, target-drug interactions, enzymes, receptors, nucleic acids, and basic pharmacokinetics. Serving as a teaching aid…

  11. A Performance Enhanced Interactive Learning Workshop Model as a Supplement for Organic Chemistry Instruction

    Science.gov (United States)

    Phillips, Karen E. S.; Grose-Fifer, Jilliam

    2011-01-01

    In this study, the authors describe a Performance Enhanced Interactive Learning (PEIL) workshop model as a supplement for organic chemistry instruction. This workshop model differs from many others in that it includes public presentations by students and other whole-class-discussion components that have not been thoroughly investigated in the…

  12. Development and Validation of a Path Analytic Model of Students' Performance in Chemistry.

    Science.gov (United States)

    Anamuah-Mensah, Jophus; And Others

    1987-01-01

    Reported the development and validation of an integrated model of performance on chemical concept-volumetric analysis. Model was tested on 265 chemistry students in eight schools.Results indicated that for subjects using algorithms without understanding, performance on volumetric analysis problems was not influenced by proportional reasoning…

  13. Carbon Dioxide (CO2) Retrievals from Atmospheric Chemistry Experiment (ACE) Solar Occultation Measurements

    Science.gov (United States)

    Rinsland, Curtis P.; Chiou, Linda; Boone, Chris; Bernath, Peter

    2010-01-01

    The Atmospheric Chemistry Experiment ACE satellite (SCISAT-1) was launched into an inclined orbit on 12 August 2003 and is now recording high signal-to-noise 0.02 per centimeter resolution solar absorption spectra covering 750-4400 per centimeter (2.3-13 micrometers). A procedure has been developed for retrieving average dry air CO2 mole fractions (X(sub CO2)) in the altitude range 7-10 kilometers from the SCISAT-1 spectra. Using the N2 continuum absorption in a window region near 2500 per centimeter, altitude shifts are applied to the tangent heights retrieved in version 2.2 SCISAT-1 processing, while cloudy or aerosol-impacted measurements are eliminated. Monthly-mean XCO2 covering 60 S to 60 N latitude for February 2004 to March 2008 has been analyzed with consistent trends inferred in both hemispheres. The ACE XCO2 time series have been compared with previously-reported surface network measurements, predictions based on upper tropospheric aircraft measurements, and space-based measurements. The retrieved X(sub CO2) from the ACE-FTS spectra are higher on average by a factor of 1.07 plus or minus 0.025 in the northern hemisphere and by a factor of 1.09 plus or minus 0.019 on average in the southern hemisphere compared to surface station measurements covering the same time span. The ACE derived trend is approximately 0.2% per year higher than measured at surface stations during the same observation period.

  14. Experience with primary hydrazine water chemistry at WWER-440 units of Paks nuclear power plant

    International Nuclear Information System (INIS)

    1. Control measurements during application of hydrazine water chemistry have shown that, after a brief initial rise, the concentration of corrosion products stabilises at a level lower than that observed with the ammonia cycle. 2. In the case of transitional operating conditions, the rise in insoluble corrosion products is lower with hydrazine water chemistry applied than with the ammonia water chemistry. 3. Lowering of the measured values of radioactive surface contamination and of the dose rates measured in the various primary loops of course proceeds on dissimilar levels, but measured values show a distinct downward trend, both for the case of high and low initial values. 4. The amount of liquid radioactive wastes can be reduced by delaying chemical contamination. 5. Using hydrazine water chemistry also considerably reduces re-contamination through radioactive isotopes, as compared to the effects of chemical decontamination or even ammonia water chemistry. 6. Another important financial profit can be gained by hydrazine water chemistry, as it reduces the collective dose. (orig./CB)

  15. Attribution of stratospheric ozone trends to chemistry and transport: a modelling study

    Directory of Open Access Journals (Sweden)

    G. Kiesewetter

    2010-12-01

    Full Text Available The decrease of the concentration of ozone depleting substances (ODSs in the stratosphere over the past decade raises the question to what extent observed changes in stratospheric ozone over this period are consistent with known changes in the chemical composition and possible changes in atmospheric transport. Here we present a series of ozone sensitivity calculations with a stratospheric chemistry transport model (CTM driven by meteorological reanalyses from the European Centre for Medium-Range Weather Forecasts, covering the period 1978–2009. In order to account for the reversal in ODS trends, ozone trends are analysed as piecewise linear trends over two periods, 1979–1999 and 2000–2009. Modelled column ozone (TO3 inter-annual variability and trends are in excellent agreement with observations from the Total Ozone Mapping Spectrometer (TOMS and Solar Backscatter UV (SBUV/2 as well as the Global Ozone Monitoring Experiment (GOME/GOME2 and Scanning Imaging Absorption Spectrometer for Atmospheric Chartography (SCIAMACHY instruments. In the period 1979–1999, modelled TO3 trends at mid-latitudes are dominated by changes in in situ gas-phase chemistry, which contribute to about 50% or more of the TO3 trend in most seasons. Changes in meteorology contribute around 35% to mid-latitude TO3 trends, with strong differences between different seasons. In springtime, export of ozone depleted air from polar latitudes contributes about 35–50% to the modelled TO3 trend at SH mid-latitudes and about 15–30% at NH mid-latitudes. Over the period 2000–2009 positive linear trends in modelled TO3, which agree well with observed TO3 trends, are dominated by changes in meteorology, as expected for the yet small decrease in stratospheric halogen loading over this period. While the TO3 trends themselves are not statistically significant over the period 2000–2009, changes in linear trends between 1978–1999 and 2000–2009 are significant at mid- and high

  16. Sonoluminescence: Experiments and models (Review)

    Science.gov (United States)

    Borisenok, V. A.

    2015-05-01

    Three models of the sonoluminescence source formation are considered: the shock-free compression model, the shock wave model, and the polarization model. Each of them is tested by experimental data on the size of the radiating region and the angular radiation pattern; the shape and duration of the radiation pulse; the influence of the type of liquid, gas composition, surfactants, sound frequency, and temperature of the liquid on the radiation intensity; the characteristics of the shock wave in the liquid; and the radiation spectra. It is shown that the most adequate qualitative explanation of the entire set of experimental data is given by the polarization model. Methods for verifying the model are proposed. Publications devoted to studying the possibility a thermonuclear fusion reaction in a cavitation system are reviewed.

  17. Single-step chemistry model and transport coefficient model for hydrogen combustion

    Institute of Scientific and Technical Information of China (English)

    WANG ChangJian; WEN Jennifer; LU ShouXiang; GUO Jin

    2012-01-01

    To satisfy the needs of large-scale hydrogen combustion and explosion simulation,a method is presented to establish single-step chemistry model and transport model for fuel-air mixture.If the reaction formula for hydrogen-air mixture is H2+0.5O2→H2O,the reaction rate model is ω =1.13×1015[H2][O2]exp(-46.37T0/T) mol (cm3 s)-1,and the transport coefficient model is μ=K/Cp=pD=7.0×10-5T 0.7 g (cm s)-1.By using current models and the reference model to simulate steady Zeldovich-von Neumann-Doering (ZND) wave and free-propagating laminar flame,it is found that the results are well agreeable.Additionally,deflagration-to-detonation transition in an obstructed channel was also simulated.The numerical results are also well consistent with the experimental results.These provide a reasonable proof for current method and new models.

  18. Experimental study on iodine chemistry (EXSI) - Containment experiments with methyl iodide

    Energy Technology Data Exchange (ETDEWEB)

    Holm, J.; Ekberg, C. (Chalmers Univ. of Technology, Goeteborg (Sweden)); Kaerkelae, T.; Auvinen, A. (VTT, Espoo (Finland)); Glaenneskog, H. (Vattenfall Power Consultant, Goeteborg (Sweden))

    2011-05-15

    An experimental study on radiolytic decomposition of methyl iodide was conducted in co-operation between VTT and Chalmers University of Technology as a part of the NKS-R programs. In year 2008 the NROI project, a Nordic collaboration studying iodine chemistry in the containment, was started. During year 2008 (NROI-1) the radiolytic oxidation of elemental iodine was investigated and during 2009 (NROI-2), the radiolytic oxidation of organic iodine was studied. This project (NROI-3) is a continuation of the investigation of the oxidation of organic iodine. The project has been divided into two parts. 1. The aims of the first part were to investigate the effect of ozone and UV-radiation, in dry and humid conditions, on methyl iodide. 2. The second project was about gamma radiation (approx20 kGy/h) and methyl iodide in dry and humid conditions. 1. Experimental results showed that the methyl iodide concentration in the facility was reduced with increasing temperature and increasing UV-radiation intensity. Similar behaviour occurred when ozone was present in the system. Formed organic gas species during the decomposition of methyl iodide was mainly formaldehyde and methanol. The particle formation was instant and extensive when methyl iodide was exposed to ozone and/or radiation at all temperatures. The size of the formed primary particles was about 10 nm and the size of secondary particles was between 50-200 nm. From the SEM-EDX analyses of the particles, the conclusion was drawn that these were some kind of iodine oxides (I{sub xO{sub y}). However, the correct speciation of the formed particles was difficult to obtain because the particles melted and fused together under the electron beam. 2. The results from this sub-project are more inconsistent and hard to interpret. The particle formation was significant lesser than corresponding experiments when ozone/UV-radiation was used instead of gamma radiation. The transport of gaseous methyl iodide through the facility was

  19. Atmospheric impact of the 1783?1784 Laki eruption: Part I Chemistry modelling

    OpenAIRE

    Stevenson, D.S.; Johnson, C. E.; Highwood, E.J.; V. Gauci; W. J. Collins; Derwent, R. G.

    2003-01-01

    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...

  20. An optimization approach to kinetic model reduction for combustion chemistry

    CERN Document Server

    Lebiedz, Dirk

    2013-01-01

    Model reduction methods are relevant when the computation time of a full convection-diffusion-reaction simulation based on detailed chemical reaction mechanisms is too large. In this article, we review a model reduction approach based on optimization of trajectories and show its applicability to realistic combustion models. As most model reduction methods, it identifies points on a slow invariant manifold based on time scale separation in the dynamics of the reaction system. The numerical approximation of points on the manifold is achieved by solving a semi-infinite optimization problem, where the dynamics enter the problem as constraints. The proof of existence of a solution for an arbitrarily chosen dimension of the reduced model (slow manifold) is extended to the case of realistic combustion models including thermochemistry by considering the properties of proper maps. The model reduction approach is finally applied to three models based on realistic reaction mechanisms: 1. ozone decomposition as a small t...

  1. 绿色化学与微型有机化学实验研究与实践分析%Research and Practice Analysis of Green Chemistry and Micro-organic Chemistry Experiment

    Institute of Scientific and Technical Information of China (English)

    商桂君

    2014-01-01

    This paper will starts from establishing the people's green awareness to analyzes micro-organic chemistry experiment, and proposes using the concept of green chemistry to reform the organic chemistry experiment teaching, expects to better know the chemistry experiment teaching.%本文将从树立人们的绿色化意识出发,对微型有机化学实验进行深入分析,并提出利用绿色化学的理念对有机化学实验教学进行改革具体措施,以期更好的知道化学实验教学。

  2. Superheavy Element Chemistry by Relativistic Density Functional Theory Electronic Structure Modeling

    Science.gov (United States)

    Zaitsevskii, A. V.; Polyaev, A. V.; Demidov, Yu. A.; Mosyagin, N. S.; Lomachuk, Yu. V.; Titov, A. V.

    2015-06-01

    Two-component density functional theory in its non-collinear formulation combined with the accurate relativistic electronic structure model defined by shape-consistent small-core pseudopotentials (PP/RDFT) provides a robust basis of efficient computational schemes for predicting energetic and structural properties of complex polyatomic systems including superheavy elements (SHEs). Because of the exceptional role of thermochromatography in the experiments on the "chemical" identification of SHEs with atomic numbers Z ≥ 112, we focus on the description of the adsorption of single SHE atoms on the surfaces of solids through cluster modeling of adsorption complexes. In some cases our results differ significantly from those of previous theoretical studies. The results of systematic comparative studies on chemical bonding in simple molecules of binary compounds of SHEs and their nearest homologs with most common light elements, obtained at the PP/RDFT level and visualized through the "chemical graphs", provide the understanding of the general chemistry of SHEs which at present cannot be derived from the experimental data. These results are used to discuss the main trends in changing chemical properties of the elements in the given group of the periodic table and demonstrate the specificity of SHEs.

  3. Representativeness errors in comparing chemistry transport and chemistry climate models with satellite UV-Vis tropospheric column retrievals

    Science.gov (United States)

    Boersma, K. F.; Vinken, G. C. M.; Eskes, H. J.

    2016-03-01

    Ultraviolet-visible (UV-Vis) satellite retrievals of trace gas columns of nitrogen dioxide (NO2), sulfur dioxide (SO2), and formaldehyde (HCHO) are useful to test and improve models of atmospheric composition, for data assimilation, air quality hindcasting and forecasting, and to provide top-down constraints on emissions. However, because models and satellite measurements do not represent the exact same geophysical quantities, the process of confronting model fields with satellite measurements is complicated by representativeness errors, which degrade the quality of the comparison beyond contributions from modelling and measurement errors alone. Here we discuss three types of representativeness errors that arise from the act of carrying out a model-satellite comparison: (1) horizontal representativeness errors due to imperfect collocation of the model grid cell and an ensemble of satellite pixels called superobservation, (2) temporal representativeness errors originating mostly from differences in cloud cover between the modelled and observed state, and (3) vertical representativeness errors because of reduced satellite sensitivity towards the surface accompanied with necessary retrieval assumptions on the state of the atmosphere. To minimize the impact of these representativeness errors, we recommend that models and satellite measurements be sampled as consistently as possible, and our paper provides a number of recipes to do so. A practical confrontation of tropospheric NO2 columns simulated by the TM5 chemistry transport model (CTM) with Ozone Monitoring Instrument (OMI) tropospheric NO2 retrievals suggests that horizontal representativeness errors, while unavoidable, are limited to within 5-10 % in most cases and of random nature. These errors should be included along with the individual retrieval errors in the overall superobservation error. Temporal sampling errors from mismatches in cloud cover, and, consequently, in photolysis rates, are of the order of 10

  4. Representativeness errors in comparing chemistry transport and chemistry climate models with satellite UV/Vis tropospheric column retrievals

    Science.gov (United States)

    Boersma, K. F.; Vinken, G. C. M.; Eskes, H. J.

    2015-09-01

    UV/Vis satellite retrievals of trace gas columns of nitrogen dioxide (NO2), sulphur dioxide (SO2), and formaldehyde (HCHO) are useful to test and improve models of atmospheric composition, for data assimilation, air quality hindcasting and forecasting, and to provide top-down constraints on emissions. However, because models and satellite measurements do not represent the exact same geophysical quantities, the process of confronting model fields with satellite measurements is complicated by representativeness errors, which degrade the quality of the comparison beyond contributions from modelling and measurement errors alone. Here we discuss three types of representativeness errors that arise from the act of carrying out a model-satellite comparison: (1) horizontal representativeness errors due to imperfect collocation of the model grid cell and an ensemble of satellite pixels called superobservation, (2) temporal representativeness errors originating mostly from differences in cloud cover between the modelled and observed state, and (3) vertical representativeness errors because of reduced satellite sensitivity towards the surface accompanied with necessary retrieval assumptions on the state of the atmosphere. To minimize the impact of these representativeness errors, we recommend that models and satellite measurements be sampled as consistently as possible, and our paper provides a number of recipes to do so. A practical confrontation of tropospheric NO2 columns simulated by the TM5 chemistry transport model (CTM) with Ozone Monitoring Instrument (OMI) tropospheric NO2 retrievals suggests that horizontal representativeness errors, while unavoidable, are limited to within 5-10 % in most cases and of random nature. These errors should be included along with the individual retrieval errors in the overall superobservation error. Temporal sampling errors from mismatches in cloud cover, and, consequently, in photolysis rates, are on the order of 10 % for NO2 and HCHO

  5. Linking the microscopic view of chemistry to real-life experiences: Intertextuality in a high-school science classroom

    Science.gov (United States)

    Wu, Hsin-Kai

    2003-11-01

    Chemistry learning involves establishing conceptual relationships among macroscopic, microscopic, and symbolic representations. Employing the notion of intertextuality to conceptualize these relationships, this study investigates how class members interactionally construct meanings of chemical representations by connecting them to real-life experiences and how the teachers' content knowledge shapes their ways to coconstruct intertextual links with students. Multiple sources of data were collected over 7 weeks with a participation of 25 eleventh graders, an experienced teacher, and a student teacher. An examination of classroom discourse shows that the intertextual links between the microscopic view of chemistry and students' real-life experiences could be initiated by students and instigated by the teachers. The teachers applied several discursive strategies to scaffold students building meaningful links based on their prior knowledge and experiences. Additionally, the experienced teacher with stronger content knowledge tended to present links in both dialogic and monologic discourses. Yet, the relatively limited content knowledge did not necessarily constrain the student teacher's interactions with students. The findings of this study provide a backdrop for further research to explore how chemistry is learned and taught in a class through the social constructivist lens.

  6. Carbon cycling and phytoplankton responses within highly-replicated shipboard carbonate chemistry manipulation experiments conducted around Northwest European Shelf Seas

    Directory of Open Access Journals (Sweden)

    S. Richier

    2014-03-01

    Full Text Available The ongoing oceanic uptake of anthropogenic carbon dioxide (CO2 is significantly altering the carbonate chemistry of seawater, a phenomenon referred to as ocean acidification. Experimental manipulations have been increasingly used to gauge how continued ocean acidification will potentially impact marine ecosystems and their associated biogeochemical cycles in the future; however, results amongst studies, particularly when performed on natural communities, are highly variable, which in part likely reflects inconsistencies in experimental approach. To investigate the potential for identification of more generic responses and greater experimentally reproducibility, we devised and implemented a series of highly replicated (n = 8, short term (2–4 days multi-level (≥ 4 conditions carbonate chemistry/nutrient manipulation experiments on a range of natural microbial communities sampled in Northwest European shelf seas. Carbonate chemistry manipulations and resulting biological responses were found to be highly reproducible within individual experiments and to a lesser extent between geographically different experiments. Statistically robust reproducible physiological responses of phytoplankton to increasing pCO2, characterized by a suppression of net growth for small sized cells (pCO2 and hence lower buffer capacity. The results thus emphasize how biological-chemical feedbacks may be altered in the future ocean.

  7. Merging curriculum design with chemical epistemology: A case of teaching and learning chemistry through modeling

    Science.gov (United States)

    Erduran, Sibel

    The central problem underlying this dissertation is the design of learning environments that enable the teaching and learning of chemistry through modeling. Significant role of models in chemistry knowledge is highlighted with a shift in emphasis from conceptual to epistemological accounts of models. Research context is the design and implementation of student centered Acids & Bases Curriculum, developed as part of Project SEPIA. Qualitative study focused on 3 curriculum activities conducted in one 7th grade class of 19 students in an urban, public middle school in eastern United States. Questions guiding the study were: (a) How can learning environments be designed to promote growth of chemistry knowledge through modeling? (b) What epistemological criteria facilitate learning of growth of chemistry knowledge through modeling? Curriculum materials, and verbal data from whole class conversations and student group interviews were analyzed. Group interviews consisted of same 4 students, selected randomly before curriculum implementation, and were conducted following each activity to investigate students' developing understandings of models. Theoretical categories concerning definition, properties and kinds of models as well as educational and chemical models informed curriculum design, and were redefined as codes in the analysis of verbal data. Results indicate more diversity of codes in student than teacher talk across all activities. Teacher concentrated on educational and chemical models. A significant finding is that model properties such as 'compositionality' and 'projectability' were not present in teacher talk as expected by curriculum design. Students did make reference to model properties. Another finding is that students demonstrate an understanding of models characterized by the seventeenth century Lemery model of acids and bases. Two students' developing understandings of models across curriculum implementation suggest that curriculum bears some change in

  8. MATCH–SALSA – Multi-scale Atmospheric Transport and CHemistry model coupled to the SALSA aerosol microphysics model – Part 1: Model description and evaluation

    OpenAIRE

    Andersson, C.; Bergström, R; Bennet, C.; Robertson, L.; Thomas, M.; Korhonen, H.; Lehtinen, K. E. J.; H. Kokkola

    2014-01-01

    We have implemented the sectional aerosol dynamics model SALSA in the European scale chemistry-transport model MATCH (Multi-scale Atmospheric Transport and Chemistry). The new model is called MATCH–SALSA. It includes aerosol microphysics, with several formulations for nucleation, wet scavenging and condensation. The model reproduces observed higher particle number concentration (PNC) in central Europe and lower concentrations in remote regions. The model PNC size ...

  9. Experiments with settlement aggregation models

    OpenAIRE

    Erickson, B.; T Lloyd-Jones

    1997-01-01

    The use of fractal techniques to model aspects of urban form is now well established. However, to date these have concentrated on specific general attributes of urban form, usually focused at a macro level. In this paper we argue that the urban system is complex and its global spatial attributes related to patterns of activity and movement at the local scale. In order to arrive at a generative model which simulates the pattern of urban development, two interrelated urban spatial systems need ...

  10. Variability of the carbonate chemistry in a shallow, seagrass-dominated ecosystem: implications for ocean acidification experiments

    Science.gov (United States)

    Challener, Roberta; Robbins, Lisa L.; Mcclintock, James B.

    2016-01-01

    Open ocean observations have shown that increasing levels of anthropogenically derived atmospheric CO2 are causing acidification of the world's oceans. Yet little is known about coastal acidification and studies are just beginning to characterise the carbonate chemistry of shallow, nearshore zones where many ecologically and economically important organisms occur. We characterised the carbonate chemistry of seawater within an area dominated by seagrass beds (Saint Joseph Bay, Florida) to determine the extent of variation in pH and pCO2 over monthly and daily timescales. Distinct diel and seasonal fluctuations were observed at daily and monthly timescales respectively, indicating the influence of photosynthetic and respiratory processes on the local carbonate chemistry. Over the course of a year, the range in monthly values of pH (7.36-8.28), aragonite saturation state (0.65-5.63), and calculated pCO2 (195-2537 μatm) were significant. When sampled on a daily basis the range in pH (7.70-8.06), aragonite saturation state (1.86-3.85), and calculated pCO2 (379-1019 μatm) also exhibited significant range and indicated variation between timescales. The results of this study have significant implications for the design of ocean acidification experiments where nearshore species are utilised and indicate that coastal species are experiencing far greater fluctuations in carbonate chemistry than previously thought.

  11. Results from a model of course-based undergraduate research in the first- and second-year chemistry curriculum

    Science.gov (United States)

    Weaver, Gabriela

    2014-03-01

    The Center for Authentic Science Practice in Education (CASPiE) is a project funded by the URC program of the NSF Chemistry Division. The purpose of CASPiE was to provide students in first and second year laboratory courses with authentic research experiences as a gateway to more traditional forms of undergraduate research. Each research experience is a 6- to 8-week laboratory project based on and contributing to the research work of the experiment's author through data or preparation of samples. The CASPiE program has resulted in a model for engaging students in undergraduate research early in their college careers. To date, CASPiE has provided that experience to over 6000 students at 17 different institutions. Evaluation data collected has included student surveys, interviews and longitudinal analysis of performance. We have found that students' perceptions of their understanding of the material and the discipline increase over the course of the semester, whereas they are seen to decrease in the control courses. Students demonstrate a greater ability to explain the meaning and purpose of their experimental procedures and results and provide extensions to the experimental design, compared not only to control courses but also compared to inquiry-based courses. Longitudinal analysis of grades indicates a possible benefit to performance in courses related to the discipline two and three years later. A similar implementation in biology courses has demonstrated an increase in critical thinking scores. Work supported by the National Science Foundation, Division of Chemistry.

  12. The Role of Water Chemistry in Marine Aquarium Design: A Model System for a General Chemistry Class

    Science.gov (United States)

    Keaffaber, Jeffrey J.; Palma, Ramiro; Williams, Kathryn R.

    2008-01-01

    Water chemistry is central to aquarium design, and it provides many potential applications for discussion in undergraduate chemistry and engineering courses. Marine aquaria and their life support systems feature many chemical processes. A life support system consists of the entire recirculation system, as well as the habitat tank and all ancillary…

  13. Chemistry, Life, the Universe, and Everything: A New Approach to General Chemistry, and a Model for Curriculum Reform

    Science.gov (United States)

    Cooper, Melanie; Klymkowsky, Michael

    2013-01-01

    The history of general chemistry is one of almost constant calls for reform, yet over the past 60 years little of substance has changed. Those reforms that have been implemented are almost entirely concerned with how the course is taught, rather than what is to be learned. Here we briefly discuss the history of the general chemistry curriculum and…

  14. 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.)

  15. Students’ interest and experiences in physics and chemistry related themes: Reflections based on a ROSE-survey in Finland

    Directory of Open Access Journals (Sweden)

    Jari Lavonen

    2008-01-01

    Full Text Available Interest in physics and chemistry topics and out-of-school experiences of Finnish secondary school students (n=3626, median age 15 were surveyed using the international ROSE questionnaire. Based on explorative factor analysis the scores of six out-of-school experience factors (indicating how often students had done something outside of school and eight topic factors (indicating how interested students were in learning about something were studied. The students had a lot of out-of-school experiences in simple measuring and observing and in ICT use, but they had few science and technology related hobbies and activities or experiences of camping. Several gender differences were found. Observing natural phenomena and collecting objects was the most important factor correlating with the topic factors. Factors measuring experiences of ICT use and the use of mechanical tools had the lowest correlations with the topic factors. Based on the results, the implications for science education will be discussed.

  16. 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.

  17. 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.

  18. Modeling the present and future impact of aviation on climate: an AOGCM approach with online coupled chemistry

    OpenAIRE

    P. Huszar; H. Teyssèdre; Cariolle, D.; Olivié, D.J.L.; M. Michou; Saint-Martin, D.; Senesi, S.; Voldoire, A.; Salas, D.; Alias, A.; F. Karcher; Ricaud, P.; Halenka, T.

    2013-01-01

    This work assesses the impact of emissions from global aviation on climate, while focus is given on the temperature response. Our work is among the first that use an Atmosphere Ocean General Circulation Model (AOGCM) online coupled with stratospheric chemistry and the chemistry of mid-troposphere relevant for aviation emissions. Compared to previous studies where either the chemical effects of aviation emissions were investigated using global chemistry transport models or the climate impa...

  19. PWR primary system chemistry: experience with elevated pH at Millstone Point unit 3

    International Nuclear Information System (INIS)

    This paper describes the results of using elevated pH primary system chemistry for the second cycle of operation of the Millstone Point Unit 3 PWR. A maximum lithium concentration of 3.5 ppm lithium was used, with a maximum pH of 7.4. Radiation fields were approximately 10% higher after the second cycle, compared to an increase of about 25% which was estimated for continued operation with standard pH 6.9 chemistry, which was used in the first cycle. Results of gamma spectroscopy measurements and fuel examination are discussed and future strategy is outlined. (author)

  20. Online-coupled meteorology and chemistry models: history, current status, and outlook

    Directory of Open Access Journals (Sweden)

    Y. Zhang

    2008-06-01

    Full Text Available The climate-chemistry-aerosol-cloud-radiation feedbacks are important processes occurring in the atmosphere. Accurately simulating those feedbacks requires fully-coupled meteorology, climate, and chemistry models and presents significant challenges in terms of both scientific understanding and computational demand. This paper reviews the history and current status of the development and application of online-coupled meteorology and chemistry models, with a focus on five representative models developed in the US including GATOR-GCMOM, WRF/Chem, CAM3, MIRAGE, and Caltech unified GCM. These models represent the current status and/or the state-of-the science treatments of online-coupled models worldwide. Their major model features, typical applications, and physical/chemical treatments are compared with a focus on model treatments of aerosol and cloud microphysics and aerosol-cloud interactions. Aerosol feedbacks to planetary boundary layer meteorology and aerosol indirect effects are illustrated with case studies for some of these models. Future research needs for model development, improvement, application, as well as major challenges for online-coupled models are discussed.

  1. Library Design in Combinatorial Chemistry by Monte Carlo Methods

    OpenAIRE

    Falcioni, Marco; Michael W. Deem

    2000-01-01

    Strategies for searching the space of variables in combinatorial chemistry experiments are presented, and a random energy model of combinatorial chemistry experiments is introduced. The search strategies, derived by analogy with the computer modeling technique of Monte Carlo, effectively search the variable space even in combinatorial chemistry experiments of modest size. Efficient implementations of the library design and redesign strategies are feasible with current experimental capabilities.

  2. 做好化学实验 发展创新能力%Using Chemistry Experiments to Cultivate Students' Innovative Ability

    Institute of Scientific and Technical Information of China (English)

    曹润红

    2011-01-01

    This paper expounds how to apply chemistry experiments to cultivate students' innovative awareness and innovative ability in chemistry teaching.%本文就笔者在化学教学中,如何利用化学实验对学生进行创新意识和创新能力的培养谈几点做法。

  3. Determining the Quantum Efficiency for Activation of an Organometallic Photoinitiator for Cationic Polymerization: An Experiment for the Physical or Inorganic Chemistry Laboratory

    Science.gov (United States)

    Hayes, David M.; Mahar, Maura; Schnabel, R. Chris; Shah, Paras; Lees, Alistair J.; Jakubek, Vladimir

    2007-01-01

    We present a new laboratory experiment on the photochemistry of organometallic [eta][superscript 5],[eta][superscript 6]-mixed-sandwich compounds, which is suitable for both the physical chemistry and inorganic chemistry laboratory. Specifically, students use 1,10-phenanthroline to trap the intermediate formed when…

  4. Niger experience in model project

    International Nuclear Information System (INIS)

    As a uranium-producing country Niger needs a strong radiation protection infrastructure. Strategy, regulations, control of occupational and medical exposure, environmental monitoring, and waste management issues were addressed in the scope of the IAEA Model Project. The associated training, scientific visits, coordination meetings, and expert visits have yielded substantial benefits to the people of Niger. (author)

  5. The implications of non-linear nitrogen chemistry in the HARM Model for use by the Environment Agency

    International Nuclear Information System (INIS)

    The findings of research into the linearity of the oxidised nitrogen chemistry in the Hull Acid Rain Model are presented, The background and structure of the HARM model are presented with modelling results, conclusions and recommendations. (author)

  6. The Meteorology-Chemistry Interface Processor (MCIP) for the CMAQ modeling system

    OpenAIRE

    Otte, T. L.; J. E. Pleim

    2009-01-01

    The Community Multiscale Air Quality (CMAQ) modeling system, a state-of-the-science regional air quality modeling system developed by the US Environmental Protection Agency, is being used for a variety of environmental modeling problems including regulatory applications, air quality forecasting, evaluation of emissions control strategies, process-level research, and interactions of global climate change and regional air quality. The Meteorology-Chemistry Interface Processor (MCIP) is a vital ...

  7. Difficulties in generalizing modelling strategies in science: the case of physics and chemistry

    OpenAIRE

    Greca, Ileana M.; Flávia M. T. dos Santos

    2005-01-01

    A review of the papers published in science education shows that the teaching centred in modelling is seemed as one of the most effective strategies for the improvement of the understanding of scientific concepts. However, a more carefully analyse also shows that what is being called as model or modelling process is very wide, and does not consider the differences in the specificities of the sciences. In this paper we try to discuss the differences and similitude in physics and chemistry mode...

  8. Extraction and Quantitation of FD&C Red Dye #40 from Beverages Containing Cranberry Juice: A College-Level Analytical Chemistry Experiment

    Science.gov (United States)

    Rossi, Henry F., III; Rizzo, Jacqueline; Zimmerman, Devon C.; Usher, Karyn M.

    2012-01-01

    A chemical separation experiment can be an interesting addition to an introductory analytical chemistry laboratory course. We have developed an experiment to extract FD&C Red Dye #40 from beverages containing cranberry juice. After extraction, the dye is quantified using colorimetry. The experiment gives students hands-on experience in using solid…

  9. Comparison of boundary conditions from Global Chemistry Model (GCM) for regional air quality application

    Science.gov (United States)

    Lam, Yun Fat; Cheung, Hung Ming; Fu, Joshua; Huang, Kan

    2015-04-01

    Applying Global Chemistry Model (GCM) for regional Boundary Conditions (BC) has become a common practice to account for long-range transport of air pollutants in the regional air quality modeling. The limited domain model such as CMAQ and CAMx requires a global BC to prescribe the real-time chemical flux at the boundary grids, in order to give a realistic estimate of boundary impacts. Several GCMs have become available recently for use in regional air quality studies. In this study, three GCM models (i.e., GEOS-chem, CHASER and IFS-CB05 MACC provided by Seoul National University, Nagoya University and ECWMF, respectively) for the year of 2010 were applied in CMAQ for the East Asia domain under the framework of Model Inter-comparison Study Asia Phase III (MISC-Asia III) and task force on Hemispheric Transport of Air Pollution (HTAP) jointed experiments. Model performance evaluations on vertical profile and spatial distribution of O3 and PM2.5 have been made on those three models to better understand the model uncertainties from the boundary conditions. Individual analyses on various mega-cities (i.e., Hong Kong, Guangzhou, Taipei, Chongqing, Shanghai, Beijing, Tianjin, Seoul and Tokyo) were also performed. Our analysis found that the monthly estimates of O3 for CHASER were a bit higher than GEOS-Chem and IFS-CB05 MACC, particularly in the northern part of China in the winter and spring, while the monthly averages of PM2.5 in GEOS-Chem were the lowest among the three models. The hourly maximum values of PM2.5 from those three models (GEOS-Chem, CHASER and IFS-CB05 MACC are 450, 321, 331 μg/m3, while the maximum O3 are 158, 212, 380 ppbv, respectively. Cross-comparison of CMAQ results from the 45 km resolution were also made to investigate the boundary impacts from the global GCMs. The results presented here provide insight on how global GCM selection influences the regional air quality simulation in East Asia.

  10. Chemistry of Dark Clouds: Databases, Networks, and Models

    CERN Document Server

    Agundez, Marcelino

    2013-01-01

    Chemical models have been developed over the years by astrophysicists to study the pro- cesses at play in the various environments of the interstellar medium (ISM) that define the chemical composition of the gas and the dust. These qualitative aspects of the model predictions have been improved from a chemical point of view thanks to many recent developments of the experimental technics and theoretical methods that aim at studying the individual reactions in conditions as close to the ISM conditions as possible and characterize the rate constants of their efficiency. These models have also been more and more associated with dynamical evolution of the ISM physical conditions (for star forming regions for instance) since the chemical composition is far from steady-state in such regions. In this paper, we try to assess the state of the art concerning the chemical modeling of dark clouds, the initial step for the formation of stars and disks.

  11. Teaching Reform of Applied Chemistry Experiment%应用化学实验教学改革

    Institute of Scientific and Technical Information of China (English)

    马学林; 杨威

    2015-01-01

    “应用化学实验”是高等院校应用化学专业学生必修课程之一,也是高校为化工企业输出应用型人才的地方。结合包头化工产业的发展,我校加大对应用化学实验课程教学内容改革,通过应用化学实验教学改革,实现企业、学校与学生三者共赢的局面,并收到显著成效。%Applied Chemistry Experiment "is the basis for compulsory courses to Normal College in Chemis-try, And is a place which provided application -oriented talents to chemical companies .According to the develop-ment of chemical industry in Baotou , The teaching reform of applied chemistry experiment was increased .The win-win situation of companys , colleges and students was realized through the teaching reform .

  12. Insights into aerosol formation chemistry from comprehensive gas-phase precursor measurement in the TRAPOZ chamber experiments; an overview

    Science.gov (United States)

    Carr, Timo; Wyche, Kevin; Monks, Paul S.; Camredon, Marie; Alam, Mohammed S.; Bloss, William J.; Rickard, Andrew R.

    2010-05-01

    Aerosols have a profound affect on the environment on local, regional and even global levels, with impacts including adverse health effects, (Alfarra, Paulsen et al. 2006) visibility reduction, cloud formation, direct radiative forcing (Charlson, Schwartz et al. 1992) and an important role in influencing the climate due to their contribution to important atmospheric processes (Baltensperger, Kalberer et al. 2005; Alfarra, Paulsen et al. 2006). The Total Radical Production from the OZonolysis of alkenes (TRAPOZ) project was used to study the gas phase and radical chemistry along with secondary organic aerosol (SOA) formation for a number of different alkenes and terpenes. In order to better the scientific knowledge regarding the oxidation mechanisms of terpene and alkene species along with radical and SOA formation, the experiments were conducted under varying conditions controlled and monitored by the EUropean PHOto REactor (EUPHORE) simulation chamber in Valencia, Spain. A vast number of instruments enabled a detailed examination of the chemistry within oxidation of each precursor. However the work here will focus on the results obtained from the University of Leicester Chemical Ionisation Reaction Time-of-Flight Mass Spectrometer (CIR-TOF-MS). With regard to the gas phase chemistry an analysis of the degradation of the precursor Volatile Organic Compounds (VOCs) and evolution of certain gas phase species in each experiment has been presented and discussed.

  13. MATCH-SALSA – Multi-scale Atmospheric Transport and CHemistry model coupled to the SALSA aerosol microphysics model – Part 1: Model description and evaluation

    OpenAIRE

    Andersson, C.; Bergström, R; Bennet, C.; Robertson, L.; Thomas, M.; Korhonen, H.; Lehtinen, K. E. J.; H. Kokkola

    2015-01-01

    We have implemented the sectional aerosol dynamics model SALSA (Sectional Aerosol module for Large Scale Applications) in the European-scale chemistry-transport model MATCH (Multi-scale Atmospheric Transport and Chemistry). The new model is called MATCH-SALSA. It includes aerosol microphysics, with several formulations for nucleation, wet scavenging and condensation. The model reproduces observed higher particle number concentration (PNC) in central Europe and lower c...

  14. Chemistry of Dark Clouds: Databases, Networks, and Models

    OpenAIRE

    Agundez, Marcelino; Wakelam, Valentine

    2013-01-01

    Chemical models have been developed over the years by astrophysicists to study the pro- cesses at play in the various environments of the interstellar medium (ISM) that define the chemical composition of the gas and the dust. These qualitative aspects of the model predictions have been improved from a chemical point of view thanks to many recent developments of the experimental technics and theoretical methods that aim at studying the individual reactions in conditions as close to the ISM con...

  15. Performance of European chemistry transport models as function of horizontal resolution

    NARCIS (Netherlands)

    Schaap, M.; Cuvelier, C.; Hendriks, C.; Bessagnet, B.; Baldasano, J.M.; Colette, A.; Thunis, P.; Karam, D.; Fagerli, H.; Graff, A.; Kranenburg, R.; Nyiri, A.; Pay, M.T.; Rouïl, L.; Schulz, M.; Simpson, D.; Stern, R.; Terrenoire, E.; Wind, P.

    2015-01-01

    Air pollution causes adverse effects on human health as well as ecosystems and crop yield and also has an impact on climate change trough short-lived climate forcers. To design mitigation strategies for air pollution, 3D Chemistry Transport Models (CTMs) have been developed to support the decision p

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

    OpenAIRE

    Janardhanan, Vinod

    2007-01-01

    This book lays out a numerical framework for the detailed description of heterogeneous chemistry, electrochemistry and porous media transport in solid-oxide fuel cells (SOFC). Assuming hydrogen as the only electrochemically active species, a modified Butler-Volmer equation is used to model the electrochemical charge transfer.

  17. Mathematics Models in Chemistry--An Innovation for Non-Mathematics and Non-Science Majors

    Science.gov (United States)

    Rash, Agnes M.; Zurbach, E. Peter

    2004-01-01

    The intention of this article is to present a year-long interdisciplinary course, Mathematical Models in Chemistry. The course is comprised of eleven units, each of which has both a mathematical and a chemical component. A syllabus of the course is given and the format of the class is explained. The interaction of the professors and the content is…

  18. OH and HO2 radical chemistry during PROPHET 2008 and CABINEX 2009 – Part 1: Measurements and model comparison

    Directory of Open Access Journals (Sweden)

    S. M. Griffith

    2013-06-01

    Full Text Available Hydroxyl (OH and hydroperoxyl (HO2 radicals are key species driving the oxidation of volatile organic compounds that can lead to the production of ozone and secondary organic aerosols. Previous measurements of these radicals in forest environments with high isoprene, low NOx conditions have shown serious discrepancies with modeled concentrations, bringing into question the current understanding of isoprene oxidation chemistry in these environments. During the summers of 2008 and 2009, OH and peroxy radical concentrations were measured using a laser-induced fluorescence instrument as part of the PROPHET (Program for Research on Oxidants: PHotochemistry, Emissions, and Transport and CABINEX (Community Atmosphere-Biosphere INteractions EXperiment campaigns at a forested site in northern Michigan. Supporting measurements of photolysis rates, volatile organic compounds, NOx (NO + NO2 and other inorganic species were used to constrain a zero-dimensional box model based on the Regional Atmospheric Chemistry Mechanism, modified to include the Mainz Isoprene Mechanism (RACM-MIM. The CABINEX model OH predictions were in good agreement with the measured OH concentrations, with an observed-to-modeled ratio near one (0.70 ± 0.31 for isoprene mixing ratios between 1–2 ppb on average. The measured peroxy radical concentrations, reflecting the sum of HO2 and isoprene-based peroxy radicals, were generally lower than predicted by the box model in both years.

  19. OH and HO2 radical chemistry during PROPHET 2008 and CABINEX 2009 – Part 1: Measurements and model comparison

    Directory of Open Access Journals (Sweden)

    P. B. Shepson

    2012-12-01

    Full Text Available Hydroxyl (OH and hydroperoxyl (HO2 radicals are key species driving the oxidation of volatile organic compounds that can lead to the production of ozone and secondary organic aerosols. Previous measurements of these radicals in forest environments with high isoprene, low NOx conditions have shown serious discrepancies with modeled concentrations, bringing into question the current understanding of isoprene oxidation chemistry in these environments. During the summers of 2008 and 2009, OH and peroxy radical concentrations were measured using a laser-induced fluorescence instrument as part of the PROPHET (Program for Research on Oxidants: PHotochemistry, Emissions, and Transport and CABINEX (Community Atmosphere-Biosphere INteractions EXperiment campaigns at a forested site in northern Michigan. Supporting measurements of photolysis rates, volatile organic compounds, NOx (NO + NO2 and other inorganic species were used to constrain a zero-dimensional box model based on the Regional Atmospheric Chemistry Mechanism, modified to include the Mainz Isoprene Mechanism (RACM-MIM. The CABINEX model OH predictions were in good agreement with the measured OH concentrations, with an observed-to-modeled ratio near one (0.70 ± 0.31 for isoprene mixing ratios between 1–2 ppb on average. The measured peroxy radical concentrations, reflecting the sum of HO2 and isoprene-based peroxy radicals, were generally lower than predicted by the box model in both years.

  20. Challenges in Teaching "Colloid and Surface Chemistry"--A Danish Experience

    Science.gov (United States)

    Kontogeorgis, Georgios M.; Vigild, Martin E.

    2009-01-01

    Seven years ago we were asked, as one of our first teaching duties at the Technical University of Denmark (DTU), to teach a 5 ECTS point course on "Colloid and Surface Chemistry". The topic is itself at the same time exciting and demanding, largely due to its multidisciplinary nature. Several "local" requirements posed additional challenges. The…

  1. Experiments and Simulations of Ion-Enhanced Interfacial Chemistry on Aqueous NaCl Aerosols

    Czech Academy of Sciences Publication Activity Database

    Knipping, E. M.; Lakin, M. J.; Foster, K. L.; Jungwirth, Pavel; Tobias, D. J.; Gerber, R. B.; Dabdub, D.; Finlayson-Pitts, B. J.

    2000-01-01

    Roč. 288, - (2000), s. 301-306. ISSN 0036-8075 Grant ostatní: NATO Science Program(XE) CLG-974459 Institutional research plan: CEZ:AV0Z4040901; CEZ:A54/98:Z4-040-9-ii Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 23.872, year: 2000

  2. Incorporating Course-Based Undergraduate Research Experiences into Analytical Chemistry Laboratory Curricula

    Science.gov (United States)

    Kerr, Melissa A.; Yan, Fei

    2016-01-01

    A continuous effort within an undergraduate university setting is to improve students' learning outcomes and thus improve students' attitudes about a particular field of study. This is undoubtedly relevant within a chemistry laboratory. This paper reports the results of an effort to introduce a problem-based learning strategy into the analytical…

  3. Real Science: MIT Reality Show Tracks Experiences, Frustrations of Chemistry Lab Students

    Science.gov (United States)

    Cooper, Kenneth J.

    2012-01-01

    A reality show about a college course--a chemistry class no less? That's what "ChemLab Boot Camp" is. The 14-part series of short videos is being released one episode at a time on the online learning site of the Massachusetts Institute of Technology. The novel show follows a diverse group of 14 freshmen as they struggle to master the laboratory…

  4. Sugar-Cube Science: An Economical Inquiry Experiment for High School Chemistry

    Science.gov (United States)

    Smith, Jennifer

    2010-01-01

    Many first-year chemistry students have memorized the steps of the "scientific method" and can recite them without any prompting. But when introduced to controlled, independent, and dependent variables, they hit a brick wall. Therefore, the author of this article created a lesson that allows students to determine the fastest way to dissolve a…

  5. Quantitative Ultrasound-Assisted Extraction for Trace-Metal Determination: An Experiment for Analytical Chemistry

    Science.gov (United States)

    Lavilla, Isela; Costas, Marta; Pena-Pereira, Francisco; Gil, Sandra; Bendicho, Carlos

    2011-01-01

    Ultrasound-assisted extraction (UAE) is introduced to upper-level analytical chemistry students as a simple strategy focused on sample preparation for trace-metal determination in biological tissues. Nickel extraction in seafood samples and quantification by electrothermal atomic absorption spectrometry (ETAAS) are carried out by a team of four…

  6. The Evolution of a Green Chemistry Laboratory Experiment: Greener Brominations of Stilbene

    Science.gov (United States)

    McKenzie, Lallie C.; Huffman, Lauren M.; Hutchison, James E.

    2005-01-01

    The use of green metrics to compare three bromination laboratory procedures demonstrates the effectiveness of an incremental greening process for chemistry curricula. Due to this process, the bromination of alkenes can be introduced to students through the use of a safe, effective, modern practice.

  7. Offering English-Mediated Chemistry Classes in South Korea: A Note on This Nationwide Experiment

    Science.gov (United States)

    Lee, Jae-Seung

    2010-01-01

    The importance of English as a means of communicating chemical information effectively cannot be overemphasized. Ironically, however, using English as a common language of chemistry might hinder nonnative English speakers from actively participating in major chemical communication. To address this problem, South Korea, where English is not an…

  8. Integrating Chemistry Laboratory Instrumentation into the Industrial Internet: Building, Programming, and Experimenting with an Automatic Titrator

    Science.gov (United States)

    Famularo, Nicole; Kholod, Yana; Kosenkov, Dmytro

    2016-01-01

    This project is designed to improve physical chemistry and instrumental analysis laboratory courses for undergraduate students by employing as teaching tools novel technologies in electronics and data integration using the industrial Internet. The project carried out by upper-division undergraduates is described. Students are exposed to a complete…

  9. On the use of mass-conserving wind fields in chemistry-transport models

    Directory of Open Access Journals (Sweden)

    B. Bregman

    2003-01-01

    Full Text Available A new method has been developed that provides mass-conserving wind fields for global chemistry-transport models. In previous global Eulerian modeling studies a mass-imbalance was found between the model mass transport and the surface pressure tendencies. Several methods have been suggested to correct for this imbalance, but so far no satisfactory solution has been found. Our new method solves these problems by using the wind fields in a spherical harmonical form (divergence and vorticity by mimicing the physics of the weather forecast model as closely as possible. A 3-D chemistry-transport model was used to show that the calculated ozone fields with the new processing method agree remarkably better with ozone observations in the upper troposphere and lower stratosphere. In addition, the calculated age of air in the lower stratosphere show better agreement with observations, although the air remains still too young in the extra-tropical stratosphere.

  10. Physical chemistry of charged interfaces: multi-scale modelling and applications to energy

    International Nuclear Information System (INIS)

    This article presents the advantages of a multi-scale modelling strategy for the understanding of systems with charged interfaces. On the one hand, one can simulate a complex system at different levels, depending on the relevant length and time scales for a given physical chemistry problem. On the other hand, one should make the link between the various levels of description, e.g. following a bottom-up approach. The case of charged porous materials, in particular clay minerals, is illustrated here by discussing physical chemistry issues that arise in the context of geological disposal of nuclear wastes and CO2 sequestration. (author)

  11. Numerical experiments modelling turbulent flows

    Czech Academy of Sciences Publication Activity Database

    Trefilík, Jiří; Kozel, Karel; Příhoda, Jaromír

    Kutná Hora : E D P Sciences, 2014 - (Vít, T.; Dančová, P.; Novotný, P.) ISBN 978-80-260-5375-0. ISSN 2101-6275. - (EPJ Web of Conferences. 67). [Experimental Fluid Mechanics 2013. Kutná Hora (CZ), 19.11.2013-22.11.2013] R&D Projects: GA ČR(CZ) GAP101/10/1329; GA ČR GAP101/12/1271 Institutional support: RVO:61388998 Keywords : numerical simulation * transonic flow * two-equation model Subject RIV: BK - Fluid Dynamics

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

    International Nuclear Information System (INIS)

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

  13. Gas-grain models for interstellar anion chemistry

    OpenAIRE

    Cordiner, M. A.; Charnley, S. B.

    2012-01-01

    Long-chain hydrocarbon anions CnH- (n=4, 6, 8) have recently been found to be abundant in a variety of interstellar clouds. In order to explain their large abundances in the denser (prestellar/protostellar) environments, new chemical models are constructed that include gas-grain interactions. Models including accretion of gas-phase species onto dust grains and cosmic-ray-induced desorption of atoms are able to reproduce the observed anion-to-neutral ratios, as well as the absolute abundances ...

  14. Extracting physical chemistry from mechanics: a new approach to investigate DNA interactions with drugs and proteins in single molecule experiments

    CERN Document Server

    Rocha, M S

    2015-01-01

    In this review we focus on the idea of establishing connections between the mechanical properties of DNAligand complexes and the physical chemistry of DNA-ligand interactions. This type of connection is interesting because it opens the possibility of performing a robust characterization of such interactions by using only one experimental technique: single molecule stretching. Furthermore, it also opens new possibilities in comparing results obtained by very different approaches, in special when comparing single molecule techniques to ensemble-averaging techniques. We start the manuscript reviewing important concepts of the DNA mechanics, from the basic mechanical properties to the Worm-Like Chain model. Next we review the basic concepts of the physical chemistry of DNA-ligand interactions, revisiting the most important models used to analyze the binding data and discussing their binding isotherms. Then, we discuss the basic features of the single molecule techniques most used to stretch the DNA-ligand complex...

  15. Isoprene concentrations over Russia: ground-based measurements and chemistry-transport modeling

    Science.gov (United States)

    Berezina, Elena; Konovalov, Igor; Berezin, Evgeny; Skorokhod, Andrey; Elansky, Nikolay; Belikov, Igor

    2016-04-01

    Near-surface isoprene concentration was measured over Russia using the proton mass spectrometry method (PTR-MS) in TROICA (TRanscontinental Observations Into the Chemistry of the Atmosphere) experiments along the Trans-Siberian railway from 21.06.08 to 04.08.08 (TROICA-12) and from 08.10.09 to 23.10.09 (TROICA-13). The highest isoprene concentration is observed in the Far East (up to 3 ppb) due to the emissions from the major isoprene source - deciduous forests. The TROICA measurements were compared to the corresponding simulations performed with the CHIMERE chemistry transport model (CTM) using the MEGAN biogenic emission inventory. Simulated and measured isoprene concentrations are highly correlated (r = 0.8), but the simulated isoprene concentration is about 4-6 times higher than the measured one. The selection of daytime and background (from isoprene/benzene ratios) isoprene concentrations don't significantly increase the experimental values; moreover, even the isoprene concentration corrected for atmospheric photochemical losses (that is, the near-source concentration) is found to be 1.5 times lower than the simulated data. Therefore, the systematic discrepancy between the measurements and simulations could not be unambiguously attributed to the representativity error. The weak exponential dependence of summer isoprene concentration on temperature both for the model (R2 = 0.3) and for the experimental data (R2 = 0.4) is observed. However, a much stronger linear correlation (r ~ 0.9) is found between the isoprene concentration and temperature in Russian regions separated according to the type of vegetation. The differences between the simulated and experimental dependences of isoprene concentration on temperature are not statistically significant. The above results prompt the conclusion that the parameterization of isoprene emissions in the CHIMERE CTM is qualitatively adequate, but the isoprene emission factors applicable for Russian forest are likely

  16. Interactive chemistry in the Laboratoire de Météorologie Dynamique general circulation model: model description and impact analysis of biogenic hydrocarbons on tropospheric chemistry

    Directory of Open Access Journals (Sweden)

    G. A. Folberth

    2006-01-01

    Full Text Available We present a description and evaluation of LMDz-INCA, a global three-dimensional chemistry-climate model, pertaining to its recently developed NMHC version. In this substantially extended version of the model a comprehensive representation of the photochemistry of non-methane hydrocarbons (NMHC and volatile organic compounds (VOC from biogenic, anthropogenic, and biomass-burning sources has been included. The tropospheric annual mean methane (9.2 years and methylchloroform (5.5 years chemical lifetimes are well within the range of previous modelling studies and are in excellent agreement with estimates established by means of global observations. The model provides a reasonable simulation of the horizontal and vertical distribution and seasonal cycle of CO and key non-methane VOC, such as acetone, methanol, and formaldehyde as compared to observational data from several ground stations and aircraft campaigns. LMDz-INCA in the NMHC version reproduces tropospheric ozone concentrations fairly well throughout most of the troposphere. The model is applied in several sensitivity studies of the biosphere-atmosphere photochemical feedback. The impact of surface emissions of isoprene, acetone, and methanol is studied. These experiments show a substantial impact of isoprene on tropospheric ozone and carbon monoxide concentrations revealing an increase in surface O3 and CO levels of up to 30 ppbv and 60 ppbv, respectively. Isoprene also appears to significantly impact the global OH distribution resulting in a decrease of the global mean tropospheric OH concentration by approximately 0.7×105 molecules cm-3 or roughly 8% and an increase in the global mean tropospheric methane lifetime by approximately seven months. A global mean ozone net radiative forcing due to the isoprene induced increase in the tropospheric ozone burden of 0.09 W m-2 is found. The key role of isoprene photooxidation in the global tropospheric redistribution of NOx is demonstrated. LMDz

  17. Neutron activation analysis in receptor modeling in environmental chemistry

    International Nuclear Information System (INIS)

    The release of air pollutants in high enough concentrations can have adverse health effects on the general public, particularly in urban areas. To develop strategies to manage the quality of air pollution, it is necessary to understand the flow of materials through the system, the sources and sinks, transformation, and transport pathways of the species of interest. An approach that is extensively being used in our laboratories, as well as in many others, is the use of receptor modeling. These models are based on the concepts of conservation of mass and a mass balance analysis, which in turn is based on the characterization of airborne particles into their constituents. From these methods, sources contributing to air quality are identified from the perspective of the receptor or ambient sampler. Separation of the ambient particles containing trace elements into distinct size classes allows the study of various sources to be identified. Another reason for the rapid development of receptor models has been the concurrent development of a variety of analytical techniques that permit greatly improved analyses to provide the needed input data. Two of the most powerful methods are instrumental neutron activation analysis (INAA) and X-ray fluorescence (XRF), including particle-induced X-ray emission. By using these methods along with sophisticated receptor modeling and size fractionation, the authors have been able to identify specific sources of local and regional air pollution

  18. 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.

    2016-04-01

    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 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 ( 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 substantial destructions by O3, similarly to the troposphere. Working under low O2 (volume mixing

  19. Modeling lightning-NOx chemistry at sub-grid scale in a global chemical transport model

    Directory of Open Access Journals (Sweden)

    A. Gressent

    2015-12-01

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

  20. Advanced modelling of the multiphase DMS chemistry with the CAPRAM DMS module 1.0

    Science.gov (United States)

    Hoffmann, Erik Hans; Tilgner, Andreas; Schrödner, Roland; Wolke, Ralf; Herrmann, Hartmut

    2016-04-01

    Oceans are the general emitter of dimethyl sulphide (DMS), the major natural sulphur source (Andreae, 1990), and cover approximately 70 % of earth's surface. The main DMS oxidation products are SO2, H2SO4 and methyl sulfonic acid (MSA). Hence, DMS is very important for formation of non-sea salt sulphate (nss SO42-) aerosols and secondary particulate matter and thus global climate. Despite many previous model studies, there are still important knowledge gaps, especially in aqueous phase DMS chemistry, of its atmospheric fate (Barnes et al., 2006). Therefore, a comprehensive multiphase DMS chemistry mechanism, the CAPRAM DMS module 1.0 (DM1.0), has been developed. The DM1.0 includes 103 gas phase reactions, 5 phase transfers and 54 aqueous phase reactions. It was coupled with the multiphase chemistry mechanism MCMv3.2/CAPRAM4.0α (Rickard et al., 2015; Bräuer et al., 2016) and the extended CAPRAM halogen module 2.1 (HM2.1, Bräuer et al., 2013) for investigation of multiphase DMS oxidation in the marine boundary layer. Then, a pristine ocean scenario was simulated using the air parcel model SPACCIM (Wolke et al., 2005) including 8 non-permanent cloud passages - 4 at noon and 4 at midnight. This allows the investigation of the influence of deliquesced particles and clouds on multiphase DMS chemistry during both daytime and nighttime conditions as well as under cloud formation and evaporation. To test the influence of various subsystems on multiphase DMS chemistry different sensitivity runs were performed. Investigations of multiphase chemistry of DMS and its important oxidation products were done using concentration-time profiles and detailed time-resolved reaction flux analyses. The model studies revealed the importance of aqueous phase chemistry for DMS and its oxidation products. Overall about 7.0% of DMS is effectively oxidised by O3 in the aqueous phase of clouds. The simulations revealed the importance of halogen and aqueous phase chemistry for DMS and its

  1. A Model for Nitrogen Chemistry in Oxy-Fuel Combustion of Pulverized Coal

    DEFF Research Database (Denmark)

    Hashemi, Hamid; Hansen, Stine; Toftegaard, Maja Bøg;

    2011-01-01

    In this work, a model for the nitrogen chemistry in the oxy-fuel combustion of pulverized coal has been developed. The model is a chemical reaction engineering type of model with a detailed reaction mechanism for the gas-phase chemistry, together with a simplified description of the mixing of flows......, heating and devolatilization of particles, and gas–solid reactions. The model is validated by comparison with entrained flow reactor results from the present work and from the literature on pulverized coal combustion in O2/CO2 and air, covering the effects of fuel, mixing conditions, temperature......-fuel combustion and the conventional combustion of pulverized coal can mostly be attributed to the recycling of NO (reburning effect) and to changes in the mixing patterns between fuel and oxygen. For pulverized-fuel combustion at high temperatures, we think that NO is mainly reduced by heterogeneous reactions...

  2. Aerosol–cloud interactions studied with the chemistry-climate model EMAC

    OpenAIRE

    Chang, D Y; Tost, H.; Steil, B.; Lelieveld, J.

    2014-01-01

    This study uses the EMAC atmospheric chemistry-climate model to simulate cloud properties and estimate cloud radiative effects induced by aerosols. We have tested two prognostic cloud droplet nucleation parameterizations, i.e., the standard STN (osmotic coefficient model) and hybrid (HYB, replacing the osmotic coefficient by the κ hygroscopicity parameter) schemes to calculate aerosol hygroscopicity and critical supersaturation, and consider aerosol–cloud fe...

  3. A Molecular-Modeling Toolbox Aimed at Bridging the Gap between Medicinal Chemistry and Computational Sciences

    OpenAIRE

    Sameh Eid; Adam Zalewski; Martin Smieško; Beat Ernst; Angelo Vedani

    2013-01-01

    In the current era of high-throughput drug discovery and development, molecular modeling has become an indispensable tool for identifying, optimizing and prioritizing small-molecule drug candidates. The required background in computational chemistry and the knowledge of how to handle the complex underlying protocols, however, might keep medicinal chemists from routinely using in silico technologies. Our objective is to encourage those researchers to exploit existing modeling technologies more...

  4. The vertical distribution of ozone instantaneous radiative forcing from satellite and chemistry climate models

    OpenAIRE

    Aghedo, A. M.; K. W. Bowman; Worden, H. M.; S. S. Kulawik; D. T. Shindell; Lamarque, J. F.; Faluvegi, G.; M. Parrington; Jones, D. B. A.; Rast, S.

    2011-01-01

    We evaluate the instantaneous radiative forcing (IRF) of tropospheric ozone predicted by four state-of-the-art global chemistry climate models (AM2-Chem, CAM-Chem, ECHAM5-MOZ, and GISS-PUCCINI) against ozone distribution observed from the NASA Tropospheric Emission Spectrometer (TES) during August 2006. The IRF is computed through the application of an observationally constrained instantaneous radiative forcing kernels (IRFK) to the difference between TES and model-predicted ozone. The IRFK r...

  5. Westinghouse Electric Company experiences in chemistry on-line monitoring in Eastern European nuclear power plants

    International Nuclear Information System (INIS)

    Westinghouse Electric Company has provided a number of Chemistry On-Line Monitoring (OLM) Systems to Nuclear Power Plants in Eastern Europe. Eleven systems were provided to the Temelin Nuclear Power Plant in the south of the Czech Republic. Four systems were provided to the Russian NPP at Novovoronezh. In addition, a system design was developed for primary side chemistry monitoring for units 5 and 6 of another eastern European VVER. The status of the Temelin OLM systems is discussed including updates to the Temelin designs, and the other Eastern European installations and designs are also described briefly. Some of the problems encountered and lessons learned from these projects are also discussed. (R.P.)

  6. Modeling Choice and Valuation in Decision Experiments

    Science.gov (United States)

    Loomes, Graham

    2010-01-01

    This article develops a parsimonious descriptive model of individual choice and valuation in the kinds of experiments that constitute a substantial part of the literature relating to decision making under risk and uncertainty. It suggests that many of the best known "regularities" observed in those experiments may arise from a tendency for…

  7. 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 (NOy species can comprise up to 28% of the N deposition budget under cooler conditions. Upward NO2 fluxes cause the net above-canopy NOy 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

  8. Modelling Detailed-Chemistry Effects on Turbulent Diffusion Flames using a Parallel Solution-Adaptive Scheme

    Science.gov (United States)

    Jha, Pradeep Kumar

    Capturing the effects of detailed-chemistry on turbulent combustion processes is a central challenge faced by the numerical combustion community. However, the inherent complexity and non-linear nature of both turbulence and chemistry require that combustion models rely heavily on engineering approximations to remain computationally tractable. This thesis proposes a computationally efficient algorithm for modelling detailed-chemistry effects in turbulent diffusion flames and numerically predicting the associated flame properties. The cornerstone of this combustion modelling tool is the use of parallel Adaptive Mesh Refinement (AMR) scheme with the recently proposed Flame Prolongation of Intrinsic low-dimensional manifold (FPI) tabulated-chemistry approach for modelling complex chemistry. The effect of turbulence on the mean chemistry is incorporated using a Presumed Conditional Moment (PCM) approach based on a beta-probability density function (PDF). The two-equation k-w turbulence model is used for modelling the effects of the unresolved turbulence on the mean flow field. The finite-rate of methane-air combustion is represented here by using the GRI-Mech 3.0 scheme. This detailed mechanism is used to build the FPI tables. A state of the art numerical scheme based on a parallel block-based solution-adaptive algorithm has been developed to solve the Favre-averaged Navier-Stokes (FANS) and other governing partial-differential equations using a second-order accurate, fully-coupled finite-volume formulation on body-fitted, multi-block, quadrilateral/hexahedral mesh for two-dimensional and three-dimensional flow geometries, respectively. A standard fourth-order Runge-Kutta time-marching scheme is used for time-accurate temporal discretizations. Numerical predictions of three different diffusion flames configurations are considered in the present work: a laminar counter-flow flame; a laminar co-flow diffusion flame; and a Sydney bluff-body turbulent reacting flow

  9. Crevice chemistry investigation using crevice model in real plant condition

    International Nuclear Information System (INIS)

    Corrosion problems of nuclear power plant components represent an important factor both in the field of operational safety and in the plant life extension strategies. In the case of steam generators, where the purity of feed water of operated units is approaching to the theoretical values of pure water main attention is focused to critical localities of occluded volumes with heat flux. In these discrete areas, relatively rapid concentration process of trace impurities present in feed water takes place. As a result, high local concentrations exist providing thus appropriate conditions for the initiation of corrosion cracking of austenitic stainless steel components. Localities threatened by corrosion under this mechanism (structural crevices tube - collector (tube sheet), tube - tube support plate, crevices under deposits on the free span of tubes) are during operation of steam generators completely inaccessible and the nature of crevice environment can be considered only on the basis of hideout return data evaluation. For a more detailed analysis of processes in WWER-440 SG structural crevices with the heat flux and for monitoring of crevice environment, NRI Rez developed steam generator crevice model with several instrumentation and sampling capabilities - so called EES (Electrochemical Evaluation System). This crevice model was initially tested in the NRI laboratories using various model solutions, later it was installed directly at the Nuclear Power Plant Bohunice, where it was fed by real SG feedwater. During the years 2008/9 significant sets of data have been obtained including artificial HORs, bulk and crevice samplings, and destructive evaluation of two crevice modeling heads after 5 months and 8 months of operation. Results have demonstrated high salinity of local environment, but no corrosion initiation was identified on the austenitic materials exposed to that environment. On the contrary, experimental data in the past proved sensitivity of Russian Ti

  10. Chemistry in water reactors

    International Nuclear Information System (INIS)

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

  11. Physical chemistry and modelling of the sintering of actinide oxides

    International Nuclear Information System (INIS)

    This report gives a synthesis of the work I have carried out or to which I have numerically contributed to from 1996 up to 2012 in the Department of Plutonium Uranium and minor Actinides in Cadarache CEA Center. Their main goal is the study and the modeling of the sintering process of nuclear fuels which is the unifying thread of this document. Both in order to take into account the physical and chemical features of the actinide bearing oxide material and in order to combine the different transport phenomena leading to sintering, a sub-granular scale model is under development. Extension to a varying chemical composition as well as exchanges with the gaseous phase are foreseen. A simulation on a larger scale (pellet scale) is ongoing in the framework of a PhD thesis. Validation means have been tested with (U,Pu)O2 material on the scale of the pellet (Small Angle Neutron Diffusion), on the scale of powder granules (X-Ray High Resolution Micro-Tomography) and with CeO2 at the 'Institut de Chimie Separative' in Marcoule on a single crystal scale (Environmental Scanning Electron Microscope). The required microstructure homogeneity for nuclear fuels has led to a campaign of experimental studies about the role of Cr2O3 as a sintering aid. Whole of these studies improve our understanding of fuel sintering and hence leads to an improved mastering of this process. (author)

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

    International Nuclear Information System (INIS)

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

  13. Analytical chemistry

    International Nuclear Information System (INIS)

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

  14. Theoretical chemistry periodicities in chemistry and biology

    CERN Document Server

    Eyring, Henry

    1978-01-01

    Theoretical Chemistry: Periodicities in Chemistry and Biology, Volume 4 covers the aspects of theoretical chemistry. The book discusses the stably rotating patterns of reaction and diffusion; the chemistry of inorganic systems exhibiting nonmonotonic behavior; and population cycles. The text also describes the mathematical modeling of excitable media in neurobiology and chemistry; oscillating enzyme reactions; and oscillatory properties and excitability of the heart cell membrane. Selected topics from the theory of physico-chemical instabilities are also encompassed. Chemists, mechanical engin

  15. 物理化学实验的教学改革%The Teaching Reform in Physics And Chemistry Experiment

    Institute of Scientific and Technical Information of China (English)

    谷中明; 李建军

    2001-01-01

    It discussed the method of teaching reform and efficienc e of teaching in physics and chemistry experiment,the contents included:1.Make physics chemistry experimental pattern;2.Fill in terecords list of physics chemi stry experiment;3.Design to complete and solve an assignable experimental data;4 .Be sure to preview before the experiment;5.Re-made the ratio of experimental p rerformance.%本文详尽论述了物理化学实验教学改革的具体措施及教学效果.内容包括:1.制作"物理化学实验模板”;2.填写;3.学生独立设计完成一个指定实验的数据处理过程;4.加强实验前的预习工作;5.调整实验成绩评定的权重系数.

  16. An insight into chemical kinetics and turbulence-chemistry interaction modeling in flameless combustion

    Directory of Open Access Journals (Sweden)

    Amir Azimi, Javad Aminian

    2015-01-01

    Full Text Available Computational Fluid Dynamics (CFD study of flameless combustion condition is carried out by solving the Reynolds-Averaged Navier-Stokes (RANS equations in the open-source CFD package of OpenFOAM 2.1.0. Particular attention is devoted to the comparison of three global and detailed chemical mechanisms using the Partially Stirred Reactor (PaSR combustion model for the turbulence-chemistry interaction treatment. The OpenFOAM simulations are assessed against previously published CFD results using the Eddy Dissipation Concept (EDC combustion model as well as the experimental data available in the literature. Results show that global chemical mechanisms provide acceptable predictions of temperature and major species fields in flameless mode with much lower computational costs comparing with the detailed chemical mechanisms. However, incorporation of detailed chemical mechanisms with proper combustion models is crucial to account for finite-rate chemistry effects and accurately predict net production of minor species.

  17. Micro-abrasion package capture cell experiment on the trailing edge of LDEF: Impactor chemistry and whipple bumper shield efficiencies

    Science.gov (United States)

    Fitzgerald, Howard J.; Yano, Hajime

    1995-01-01

    Four of the eight available double layer microparticle capture cells, flown as the experiment A0023 on the trailing (West) face of LDEF, have been extensively studied. An investigation of the chemistry of impactors has been made using SEM/EDX techniques and the effectiveness of the capture cells as bumper shields has also been examined. Studies of these capture cells gave positive EDX results, with 53 percent of impact sites indicating the presence of some chemical residues, the predominant residue identified as being silicon in varying quantities.

  18. Experience economy meets business model design

    DEFF Research Database (Denmark)

    Gudiksen, Sune Klok; Smed, Søren Graakjær; Poulsen, Søren Bolvig

    2012-01-01

    companies automatically get a higher prize when offering an experience setting to the customer illustrated by the coffee example. Organizations that offer experiences still have an advantage but when an increasing number of organizations enter the experience economy the competition naturally gets tougher...... innovation. This paper combines state of the art literature with two case studies and two action research based workshops to address these questions. It presents a new experience economy research agenda as well as guidelines on how to combine these two areas, where the design of business models can be a new...

  19. Investigation on chemistry of model compounds of technetium radiopharmaceuticals

    International Nuclear Information System (INIS)

    The report summarized experimental and theoretical results concerning the chemical structures and the biodistribution of hydrophilic technetium chelates with hydroxycarboxylic and aminopolycarboxylic acids, thiol compounds and aliphatic and aromatic nitrogen compounds as ligands. Methods which are suitable for synthesizing and characterizing defined chelates of Tc(V), Tc(IV) and Tc(III) have been developed for crystlline substances and species in solution, respectively. For certain types of technetium chelates three dimensional structure models were calculated from atomic parameters. The electron energies and electron distribution of Tc(V) thiol compounds were calculated by quantum chemical methods in order to interprete physical properties of these substances. Biodistribution studies revealed relationships between the osteotropic behaviour and the structure of phosphorous and non-phosphorous technetium chelates and between the kidney uptake and ligand exchange ability of Tc(V) hydroxycarboxylates. Important parameters for the production of technetium-99m kits have been elaborated and used for the optimization of radiopharmaceuticals (bone-, kidney and hepatobiliaer agents). (author)

  20. Use of SURFACE CHEMKIN to model multiphase atmospheric chemistry: Application to nitrogen tetroxide spills

    Science.gov (United States)

    Brady, Brian B.; Robbin Martin, L.

    SURFACE CHEMKIN is a widely available computer program developed for kinetic modeling of chemical vapor deposition. We show that it may be adapted for kinetic modeling of multiphase chemistry in the atmosphere, with broad capability to deal with complex chemistry and physics. It can deal with multiple phases having different reaction manifolds in each phase, it deals with gas, surface, and bulk reactions and mass transfer rates, it keeps track of the phase equilibria with realistic activities, and it can operate in an adiabatic mode to include the effect of heat release on the system. The adapted model is applied here to the problem of a nitrogen tetroxide spill in the troposphere. The model is able to predict the formation of a nitric acid/water aerosol and to follow the chemistry taking place in both the gas and liquid phases as the spill dilutes in the surrounding atmosphere. The model predicts that in such a spill, most (70-90%) of the nitrogen oxides released are converted to nitric acid over a wide range of relative humidity.

  1. The GEOS Chemistry Climate Model: Implications of Climate Feedbacks on Ozone Depletion and Recovery

    Science.gov (United States)

    Stolarski, Richard S.; Pawson, Steven; Douglass, Anne R.; Newman, Paul A.; Kawa, S. Randy; Nielsen, J. Eric; Rodriquez, Jose; Strahan, Susan; Oman, Luke; Waugh, Darryn

    2008-01-01

    The Goddard Earth Observing System Chemistry Climate Model (GEOS CCM) has been developed by combining the atmospheric chemistry and transport modules developed over the years at Goddard and the GEOS general circulation model, also developed at Goddard. The first version of the model was used in the CCMVal intercomparison exercises that contributed to the 2006 WMO/UNEP Ozone Assessment. The second version incorporates the updated version of the GCM (GEOS 5) and will be used for the next round of CCMVal evaluations and the 2010 Ozone Assessment. The third version, now under development, incorporates the combined stratosphere and troposphere chemistry package developed under the Global Modeling Initiative (GMI). We will show comparison to past observations that indicate that we represent the ozone trends over the past 30 years. We will also show the basic temperature, composition, and dynamical structure of the simulations. We will further show projections into the future. We will show results from an ensemble of transient and time-slice simulations, including simulations with fixed 1960 chlorine, simulations with a best guess scenario (Al), and simulations with extremely high chlorine loadings. We will discuss planned extensions of the model to include emission-based boundary conditions for both anthropogenic and biogenic compounds.

  2. Teaching “Chemistry in Our Lives” Unit in the 9th Grade Chemistry Course through Context-Based ARCS Instructional Model

    Directory of Open Access Journals (Sweden)

    Hülya KUTU

    2011-03-01

    Full Text Available The purpose of this study is to examine the usability of Context-based ARCS Instructional Model on secondary school chemistry teaching. For this purpose the effects of learning through Context-based ARCS Instructional Model on the retention of knowledge, students’ motivation and attitude towards chemistry have been investigated. An instrumental case study has been utilized as the research method to teach the unit “Chemistry in Our Lives” in the 9th grade high school chemistry curriculum through Context-based ARCS Instructional Model. The sample of the study is composed of totally 60 ninth grade students from two different classes in a high school in Erzurum. The sample has been selected by convenience sampling method. Data have been collected through “Attitude Towards Chemistry Scale [ATCS]”; “Instructional Materials Motivation Survey [IMMS]”, “Constructivist Learning Environment Survey [CLES]”, “Achievement Test [AT]” have been developed by the researchers and semi-structured interviews. The data for IMMS, CLES and AT have been analyzed through descriptive statistics and results were presented as mean, standard deviation and charts. ATCS test has been analyzed by dependent sample t-test to see whether there is a significant difference between pre and post-tests scores. Semi-structured interviews have been subjected to content analysis and the results are presented as descriptively. The results show that the method used has increased the retention of learning and students’ motivation but has not had a statistically significant impact on students’ attitudes towards chemistry. In addition, it has been seen that students perceive classroom milieu as a constructivist learning environment.

  3. Review of the formulation of present-generation stratospheric chemistry-climate models and associated external forcings

    OpenAIRE

    O. Morgenstern; M. A. Giorgetta; Shibata, K; Eyring, V.; D. W. Waugh; T. G. Shepherd; H. Akiyoshi; Austin, J; Baumgaertner, A.J.G.; Bekki, S.; P. Braesicke; Brühl, C.; Chipperfield, M. P.; Cugnet, D.; M. Dameris

    2010-01-01

    The goal of the Chemistry-Climate Model Validation (CCMVal) activity is to improve understanding of chemistry-climate models (CCMs) through process-oriented evaluation and to provide reliable projections of stratospheric ozone and its impact on climate. An appreciation of the details of model formulations is essential for understanding how models respond to the changing external forcings of greenhouse gases and ozone-depleting substances, and hence for understanding the ozone and climate fore...

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1997-12-31

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

  5. Dutch experience in irrigation water management modelling

    NARCIS (Netherlands)

    Broek, van den B.J.

    1996-01-01

    The first workshop organized by the National Committee of the Netherlands of the International Commission on Irrigation and Drainage (ICID) has brought many Dutch scientists together in the field of irrigation water management to exchange their experiences in modelling. The models range from rather

  6. A Hadronization Model for the MINOS Experiment

    International Nuclear Information System (INIS)

    We present a detailed description of the Andreopoulos-Gallagher-Kehayias-Yang (AGKY) hadronic multiparticle production model. This model was developed within the context of the MINOS experiment. Its validity spans a wide invariant mass range starting from as low as the pion production threshold. It exhibits satisfactory agreement with a wide variety of experimental data

  7. STELLA Experiment: Design and Model Predictions

    International Nuclear Information System (INIS)

    The STaged ELectron Laser Acceleration (STELLA) experiment will be one of the first to examine the critical issue of staging the laser acceleration process. The BNL inverse free electron laser (EEL) will serve as a prebuncher to generate ∼ 1 (micro)m long microbunches. These microbunches will be accelerated by an inverse Cerenkov acceleration (ICA) stage. A comprehensive model of the STELLA experiment is described. This model includes the EEL prebunching, drift and focusing of the microbunches into the ICA stage, and their subsequent acceleration. The model predictions will be presented including the results of a system error study to determine the sensitivity to uncertainties in various system parameters

  8. Argonne Bubble Experiment Thermal Model Development

    Energy Technology Data Exchange (ETDEWEB)

    Buechler, Cynthia Eileen [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2015-12-03

    This report will describe the Computational Fluid Dynamics (CFD) model that was developed to calculate the temperatures and gas volume fractions in the solution vessel during the irradiation. It is based on the model used to calculate temperatures and volume fractions in an annular vessel containing an aqueous solution of uranium . The experiment was repeated at several electron beam power levels, but the CFD analysis was performed only for the 12 kW irradiation, because this experiment came the closest to reaching a steady-state condition. The aim of the study is to compare results of the calculation with experimental measurements to determine the validity of the CFD model.

  9. Extracting Models in Single Molecule Experiments

    Science.gov (United States)

    Presse, Steve

    2013-03-01

    Single molecule experiments can now monitor the journey of a protein from its assembly near a ribosome to its proteolytic demise. Ideally all single molecule data should be self-explanatory. However data originating from single molecule experiments is particularly challenging to interpret on account of fluctuations and noise at such small scales. Realistically, basic understanding comes from models carefully extracted from the noisy data. Statistical mechanics, and maximum entropy in particular, provide a powerful framework for accomplishing this task in a principled fashion. Here I will discuss our work in extracting conformational memory from single molecule force spectroscopy experiments on large biomolecules. One clear advantage of this method is that we let the data tend towards the correct model, we do not fit the data. I will show that the dynamical model of the single molecule dynamics which emerges from this analysis is often more textured and complex than could otherwise come from fitting the data to a pre-conceived model.

  10. Transient Changes in Shallow Groundwater Chemistry During the MSU-ZERT CO2 Injection Experiment

    Science.gov (United States)

    Zheng, L.; Apps, J. A.; Spycher, N.; Birkholzer, J. T.; Kharaka, Y. K.; Thordsen, J. J.; Kakouros, E.; Trautz, R. C.

    2009-12-01

    The Montana State University Zero Emission Research and Technology (MSU-ZERT) field experiment at Bozeman, Montana, is designed to evaluate atmospheric and near-surface monitoring and detection techniques applicable to the potential leakage of CO2 from deep storage reservoirs. However, the experiment also affords an excellent opportunity to investigate the transient changes in groundwater chemical composition in response to increasing CO2 partial pressures. Between July 9 and August 7, 2008, 300 kg/day of food-grade CO2 was injected into shallow groundwater through a horizontal perforated pipe about 2-2.3 m below the ground surface. Changes in groundwater quality were investigated through comprehensive chemical analyses of 80 water samples taken before, during and following CO2 injection from 10 shallow observation wells located 1-6 m from the injection pipe, and from two distant monitoring wells. Field and laboratory analyses suggest rapid and systematic changes in pH, alkalinity, and conductance, as well as increases in the aqueous concentrations of both major and trace element species. A principal component analysis and independent thermodynamic interpretation of the water quality analyses were conducted. Results were interpreted in conjunction with a mineralogical characterization of the shallow sediments and a review of historical records of the chemical composition of rainfall at neighboring monitoring sites. The interpretation permitted tentative identification of a complex array of adsorption/desorption, ion exchange, precipitation/dissolution, oxidation/reduction and infiltration processes that were operative during the test. Geochemical modeling was conducted using TOUGHREACT to test whether the observed water quality changes were consistent with the hypothesized processes, and very good agreement was obtained with respect to the behavior of both major and trace elements.

  11. Ship plume dispersion rates in convective boundary layers for chemistry models

    Directory of Open Access Journals (Sweden)

    F. Chosson

    2008-08-01

    Full Text Available Detailed ship plume simulations in various convective boundary layer situations have been performed using a Lagrangian Dispersion Model driven by a Large Eddy Simulation Model. The simulations focus on the early stage (1–2 h of plume dispersion regime and take into account the effects of plume rise on dispersion. Results are presented in an attempt to provide to atmospheric chemistry modellers a realistic description of characteristic dispersion impact on exhaust ship plume chemistry. Plume dispersion simulations are used to derive analytical dilution rate functions. Even though results exhibit striking effects of plume rise parameter on dispersion patterns, it is shown that initial buoyancy fluxes at ship stack have a minor effect on plume dilution rate. After initial high dispersion regimes a simple characteristic dilution time scale can be used to parameterize the subgrid plume dilution effect in large-scale chemistry models. The results show that this parameter is directly related to the typical turn-over time scale of the convective boundary layer.

  12. Comparison of the Research Effectiveness of Chemistry Nobelists and Fields Medalist Mathematicians with Google Scholar: the Yule-Simon Model

    CERN Document Server

    Bensman, Stephen J; Sage, Daniel S

    2014-01-01

    This paper uses the Yule-Simon model to estimate to what extent the work of chemistry Nobelists and Fields medalist mathematicians is incorporated into the knowledge corpus of their disciplines as measured by Google Scholar inlinks. Due to differences in the disciplines and prizes, it finds that the work of chemistry Nobelists is better incorporated than that of Fields medalists.

  13. Evaluation of Chemistry-Climate Model Results using Long-Term Satellite and Ground-Based Data

    Science.gov (United States)

    Stolarski, Richard S.

    2005-01-01

    Chemistry-climate models attempt to bring together our best knowledge of the key processes that govern the composition of the atmosphere and its response to changes in forcing. We test these models on a process by process basis by comparing model results to data from many sources. A more difficult task is testing the model response to changes. One way to do this is to use the natural and anthropogenic experiments that have been done on the atmosphere and are continuing to be done. These include the volcanic eruptions of El Chichon and Pinatubo, the solar cycle, and the injection of chlorine and bromine from CFCs and methyl bromide. The test of the model's response to these experiments is their ability to produce the long-term variations in ozone and the trace gases that affect ozone. We now have more than 25 years of satellite ozone data. We have more than 15 years of satellite and ground-based data of HC1, HN03, and many other gases. I will discuss the testing of models using long-term satellite data sets, long-term measurements from the Network for Detection of Stratospheric Change (NDSC) , long-term ground-based measurements of ozone.

  14. CO[subscript 2] Investigations: An Open Inquiry Experiment for General Chemistry

    Science.gov (United States)

    Stout, Roland P.

    2016-01-01

    This paper presents a successful, free inquiry experiment in which students devise an experiment to measure carbon dioxide in an important chemical, biological, or environmental situation. Also discussed is rationale for adopting an open inquiry experiment and how it fits into the laboratory as a whole. Typical student projects are given, and data…

  15. CFD and FEM modeling of PPOOLEX experiments

    Energy Technology Data Exchange (ETDEWEB)

    Paettikangas, T.; Niemi, J.; Timperi, A. (VTT Technical Research Centre of Finland (Finland))

    2011-01-15

    Large-break LOCA experiment performed with the PPOOLEX experimental facility is analysed with CFD calculations. Simulation of the first 100 seconds of the experiment is performed by using the Euler-Euler two-phase model of FLUENT 6.3. In wall condensation, the condensing water forms a film layer on the wall surface, which is modelled by mass transfer from the gas phase to the liquid water phase in the near-wall grid cell. The direct-contact condensation in the wetwell is modelled with simple correlations. The wall condensation and direct-contact condensation models are implemented with user-defined functions in FLUENT. Fluid-Structure Interaction (FSI) calculations of the PPOOLEX experiments and of a realistic BWR containment are also presented. Two-way coupled FSI calculations of the experiments have been numerically unstable with explicit coupling. A linear perturbation method is therefore used for preventing the numerical instability. The method is first validated against numerical data and against the PPOOLEX experiments. Preliminary FSI calculations are then performed for a realistic BWR containment by modeling a sector of the containment and one blowdown pipe. For the BWR containment, one- and two-way coupled calculations as well as calculations with LPM are carried out. (Author)

  16. Circulation and Integration of Medical Chemistry Experiment%医学化学实验的循环与整合

    Institute of Scientific and Technical Information of China (English)

    余录; 胡光强; 杜曦; 陈碧琼

    2015-01-01

    The circulation and integration of experiment are important measures to save the resources and improve teaching quality.According to the problems existing in medical chemistry experiment including too much specialties, complex branches of chemistry sciences and restricted hardware facilities, our teaching team explorated coressponding measures for circulation and integration including the adjustment of experimental hours, replanning the sequence of experimental rotation and reusing the resources, which promoted the improvement and development of experimental teaching.%实验循环与整合是节约教育资源、提高教学质量的重要举措。针对医学化学实验存在专业众多、学科分支繁杂,实验室硬件设施局限等问题,教学团队探索了相应的循环与整合方案,包括调整实验课时、重新规划实验轮序及循环利用资源等,促进了实验教学的提高和发展。

  17. An insight into chemical kinetics and turbulence-chemistry interaction modeling in flameless combustion

    OpenAIRE

    Amir Azimi, Javad Aminian

    2015-01-01

    Computational Fluid Dynamics (CFD) study of flameless combustion condition is carried out by solving the Reynolds-Averaged Navier-Stokes (RANS) equations in the open-source CFD package of OpenFOAM 2.1.0. Particular attention is devoted to the comparison of three global and detailed chemical mechanisms using the Partially Stirred Reactor (PaSR) combustion model for the turbulence-chemistry interaction treatment. The OpenFOAM simulations are assessed against previously published CFD results usi...

  18. Refining Grasp Affordance Models by Experience

    DEFF Research Database (Denmark)

    Detry, Renaud; Kraft, Dirk; Buch, Anders Glent;

    2010-01-01

    We present a method for learning object grasp affordance models in 3D from experience, and demonstrate its applicability through extensive testing and evaluation on a realistic and largely autonomous platform. Grasp affordance refers here to relative object-gripper configurations that yield stable...... visual model of the object they characterize. We explore a batch-oriented, experience-based learning paradigm where grasps sampled randomly from a density are performed, and an importance-sampling algorithm learns a refined density from the outcomes of these experiences. The first such learning cycle is...... bootstrapped with a grasp density formed from visual cues. We show that the robot effectively applies its experience by downweighting poor grasp solutions, which results in increased success rates at subsequent learning cycles. We also present success rates in a practical scenario where a robot needs to...

  19. Evaluation of the ACCESS - chemistry-climate model for the Southern Hemisphere

    Science.gov (United States)

    Stone, Kane A.; Morgenstern, Olaf; Karoly, David J.; Klekociuk, Andrew R.; French, W. John; Abraham, N. Luke; Schofield, Robyn

    2016-02-01

    Chemistry-climate models are important tools for addressing interactions of composition and climate in the Earth system. In particular, they are used to assess the combined roles of greenhouse gases and ozone in Southern Hemisphere climate and weather. Here we present an evaluation of the Australian Community Climate and Earth System Simulator - chemistry-climate model (ACCESS-CCM), focusing on the Southern Hemisphere and the Australian region. This model is used for the Australian contribution to the international Chemistry-Climate Model Initiative, which is soliciting hindcast, future projection and sensitivity simulations. The model simulates global total column ozone (TCO) distributions accurately, with a slight delay in the onset and recovery of springtime Antarctic ozone depletion, and consistently higher ozone values. However, October-averaged Antarctic TCO from 1960 to 2010 shows a similar amount of depletion compared to observations. Comparison with model precursors shows large improvements in the representation of the Southern Hemisphere stratosphere, especially in TCO concentrations. A significant innovation is seen in the evaluation of simulated vertical profiles of ozone and temperature with ozonesonde data from Australia, New Zealand and Antarctica from 38 to 90° S. Excess ozone concentrations (greater than 26 % at Davis and the South Pole during winter) and stratospheric cold biases (up to 10 K at the South Pole during summer and autumn) outside the period of perturbed springtime ozone depletion are seen during all seasons compared to ozonesondes. A disparity in the vertical location of ozone depletion is seen: centred around 100 hPa in ozonesonde data compared to above 50 hPa in the model. Analysis of vertical chlorine monoxide profiles indicates that colder Antarctic stratospheric temperatures (possibly due to reduced mid-latitude heat flux) are artificially enhancing polar stratospheric cloud formation at high altitudes. The model's inability to

  20. A simple one-step chemistry model for partially premixed hydrocarbon combustion

    Energy Technology Data Exchange (ETDEWEB)

    Fernandez-Tarrazo, Eduardo [Instituto Nacional de Tecnica Aeroespacial, Madrid (Spain); Sanchez, Antonio L. [Area de Mecanica de Fluidos, Universidad Carlos III de Madrid, Leganes 28911 (Spain); Linan, Amable [ETSI Aeronauticos, Pl. Cardenal Cisneros 3, Madrid 28040 (Spain); Williams, Forman A. [Department of Mechanical and Aerospace Engineering, University of California San Diego, La Jolla, CA 92093-0411 (United States)

    2006-10-15

    This work explores the applicability of one-step irreversible Arrhenius kinetics with unity reaction order to the numerical description of partially premixed hydrocarbon combustion. Computations of planar premixed flames are used in the selection of the three model parameters: the heat of reaction q, the activation temperature T{sub a}, and the preexponential factor B. It is seen that changes in q with equivalence ratio f need to be introduced in fuel-rich combustion to describe the effect of partial fuel oxidation on the amount of heat released, leading to a universal linear variation q(f) for f>1 for all hydrocarbons. The model also employs a variable activation temperature T{sub a}(f) to mimic changes in the underlying chemistry in rich and very lean flames. The resulting chemistry description is able to reproduce propagation velocities of diluted and undiluted flames accurately over the whole flammability limit. Furthermore, computations of methane-air counterflow diffusion flames are used to test the proposed chemistry under nonpremixed conditions. The model not only predicts the critical strain rate at extinction accurately but also gives near-extinction flames with oxygen leakage, thereby overcoming known predictive limitations of one-step Arrhenius kinetics. (author)

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

    OpenAIRE

    Swartz, W. H.; Stolarski, R. S.; Oman, L.D.; E. L. Fleming; C. H. Jackman

    2012-01-01

    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 c...

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

    OpenAIRE

    W. H. Swartz; R. S. Stolarski; L. D. Oman; Fleming, E. L.; Jackman, C. H.

    2012-01-01

    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...

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

    OpenAIRE

    W. H. Swartz; R. S. Stolarski; L. D. Oman; Fleming, E. L.; Jackman, C. H.

    2012-01-01

    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 (GEOS CCM). The results are largely consistent wit...

  4. Description and evaluation of tropospheric chemistry and aerosols in the Community Earth System Model (CESM1.2)

    OpenAIRE

    Tilmes, S.; J.-F. Lamarque; Emmons, L. K.; Kinnison, D E; P.-L. Ma; Liu, X.; Ghan, S; Bardeen, C.; Arnold, S.; Deeter, M.; F. Vitt; T. Ryerson; J. W. Elkins; Moore, F.; R. Spackman

    2014-01-01

    The Community Atmosphere Model (CAM), version 5, is now coupled to extensive tropospheric and stratospheric chemistry, called CAM5-chem, and is available in addition to CAM4-chem in the Community Earth System Model (CESM) version 1.2. Both configurations are well suited as tools for atmospheric-chemistry modeling studies in the troposphere and lower stratosphere, whether with internally derived "free running" (FR) meteorology, or "specified dynamics" (SD). The main focus of thi...

  5. Experience and the arts: An examination of an arts-based chemistry class

    Science.gov (United States)

    Wunsch, Patricia Ann

    Many high school students are either intimidated or unmotivated when faced with science courses taught with a traditional teaching methodology. The focus of this study was the integration of the arts, specifically the Creative Arts Laboratory (CAL) approach, into the teaching methodology and assessment of a high school chemistry class, with particular interest in what occurs from the point of view of the students and the teacher throughout the integration. Using a case study design, research questions were developed that looked at the effects of arts-integration on the students and teacher in a high school chemistry class; what strategies of arts integration were viewed positively and negatively by the students and teacher; and what role the arts may play in the formation of a new approach to the high school science curriculum. The levels of student engagement and participation were changed and thusly viewed positively by both students and teacher. Specifically, group work that allowed students to choose various arts elements to depict chemistry concepts was considered most favorably. The role of the teacher shifted from a teacher-centered design to a more student-centered environment. Classroom activities that garnered the most student engagement included peer-to-peer review through the critique process and the reinforcement of vocabulary definitions through movement activities. Negative student reviews of the integration were noted when time constraints prevented them from completing their projects to their own standards of satisfaction. However, within this study, the arts allowed many students of varying learning abilities to potentially grasp and understand scientific concepts in new and individual ways, which reinforces an inquiry-based scientific method. Further research is necessary to determine how to prepare teachers to use varying teaching methodologies including the CAL method. Moreover, high school science curricula need to be reviewed to potentially

  6. Two decades of experience with steam-water chemistry maintenance of fast breeder test reactor

    International Nuclear Information System (INIS)

    Fast Breeder Test Reactor (FBTR) at Kalpakkam is a 40 MWt, loop type, sodium cooled fast reactor. The fission heat generated in the core is extracted by primary sodium circuit and the thermal energy is transferred to non-radioactive liquid sodium in the secondary circuit which in turn, heats Once Through-type shell and tube counter current Steam Generator (OTSG) for producing super heated steam at 480 °C and 125 kg/cm2. This secondary circuit is provided to avoid the ingress of hydrogenous materials and pressure surges reaching the core in the event of SG tube leak. Corrosion related problems are very less in the sodium circuits due to the absence of electrochemical reaction. The OTSG consists of four modules each of 12.5 MWt rating. OTSG was chosen due to its higher thermal efficiency and lesser inventory of steam/water in OTSG as it reduces the severity of sodium-water reaction, in case of tube leak. From the point of view of corrosion and deposition, the chemistry specifications are more stringent for OTSG than those of drum type boilers because 100 % conversion of feed water into steam takes place in OTSG. The chemistry requirements are achieved by providing ion exchange resin based online condensate polishing to remove ionic and suspended impurities. Dissolved Oxygen and pH are maintained by all volatile treatment (AVT) using hydrazine and ammonia respectively. Being a test reactor, a dump condenser with 100 % steam dump facility with cupro-nickel tubes is available for uninterrupted reactor operation during the non-availability of turbine. Regenerative feed heating by the exhausted steam from the turbine is also available to stage heaters and deaerator. Efficient water chemistry control plays important role in minimizing corrosion related failures of steam generator tubes and ensuring steam generator tube integrity. This paper describes the operational difficulties such as premature exhaustion of CPU, impurity pick up from the system, silica excursion

  7. Evaluation of the Australian Community Climate and Earth-System Simulator Chemistry-Climate Model

    Directory of Open Access Journals (Sweden)

    K. A. Stone

    2015-07-01

    Full Text Available Chemistry climate models are important tools for addressing interactions of composition and climate in the Earth System. In particular, they are used for assessing the combined roles of greenhouse gases and ozone in Southern Hemisphere climate and weather. Here we present an evaluation of the Australian Community Climate and Earth System Simulator-Chemistry Climate Model, focusing on the Southern Hemisphere and the Australian region. This model is used for the Australian contribution to the international Chemistry-Climate Model Initiative, which is soliciting hindcast, future projection and sensitivity simulations. The model simulates global total column ozone (TCO distributions accurately, with a slight delay in the onset and recovery of springtime Antarctic ozone depletion, and consistently higher ozone values. However, October averaged Antarctic TCO from 1960 to 2010 show a similar amount of depletion compared to observations. A significant innovation is the evaluation of simulated vertical profiles of ozone and temperature with ozonesonde data from Australia, New Zealand and Antarctica from 38 to 90° S. Excess ozone concentrations (up to 26.4 % at Davis during winter and stratospheric cold biases (up to 10.1 K at the South Pole outside the period of perturbed springtime ozone depletion are seen during all seasons compared to ozonesondes. A disparity in the vertical location of ozone depletion is seen: centered around 100 hPa in ozonesonde data compared to above 50 hPa in the model. Analysis of vertical chlorine monoxide profiles indicates that colder Antarctic stratospheric temperatures (possibly due to reduced mid-latitude heat flux are artificially enhancing polar stratospheric cloud formation at high altitudes. The models inability to explicitly simulated supercooled ternary solution may also explain the lack of depletion at lower altitudes. The simulated Southern Annular Mode (SAM index compares well with ERA-Interim data. Accompanying

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

    Directory of Open Access Journals (Sweden)

    A. Pour Biazar

    2006-06-01

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

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

    Directory of Open Access Journals (Sweden)

    E. Tas

    2006-01-01

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

  10. Thermodynamic modelling of bentonite-groundwater interaction and implications for near field chemistry in a repository for spent fuel

    International Nuclear Information System (INIS)

    Predictions of near field geochemistry are made using a thermodynamic model for bentonite/ground interaction. This model is a refinement and extension of the model developed by the senior author. It is based on recent experiments performed at high solid/water ratio and adapted to the Swedish type of HLW repository design. Thus, from the obtained experimental results on solution composition, the model includes chemical reactions resulting from both the impurities and the main clay fraction within the bentonite. Ion exchange reactions are treated both with and without the contribution of edge sites. Due to its thermodynamic basis, the model exhibits prediction capability over a wide range of conditions in terms of solid/water ratio. The modelling of repository conditions implies, due to the lack of experimental information, simplifications with regard to thermodynamic properties of the bentonite. This mainly involves the non-consideration of the temperature effects and of the acid/base properties of the solid. Nevertheless, our results yield insight into important processes affecting porewater chemistry. Thus, the model suggests that proton exchange reactions may exert a strong control on calcite dissolution within highly compacted bentonite. Estimations of chemical changes over time in the bentonite were done in the basis of a mixing tank model. These results indicate transformation of Na-bentonite to Ca-bentonite over time. The extent of this process, however, critically depends on the amount of carbonate present in the bentonite. (authors) (34 refs.)

  11. Development and validation of chemistry agnostic flow battery cost performance model and application to nonaqueous electrolyte systems: Chemistry agnostic flow battery cost performance model

    Energy Technology Data Exchange (ETDEWEB)

    Crawford, Alasdair [Pacific Northwest National Laboratory (PNNL), 902 Battelle Boulevard, P.O. Box 999 Richland WA 99352 USA; Thomsen, Edwin [Pacific Northwest National Laboratory (PNNL), 902 Battelle Boulevard, P.O. Box 999 Richland WA 99352 USA; Reed, David [Pacific Northwest National Laboratory (PNNL), 902 Battelle Boulevard, P.O. Box 999 Richland WA 99352 USA; Stephenson, David [Pacific Northwest National Laboratory (PNNL), 902 Battelle Boulevard, P.O. Box 999 Richland WA 99352 USA; Sprenkle, Vincent [Pacific Northwest National Laboratory (PNNL), 902 Battelle Boulevard, P.O. Box 999 Richland WA 99352 USA; Liu, Jun [Pacific Northwest National Laboratory (PNNL), 902 Battelle Boulevard, P.O. Box 999 Richland WA 99352 USA; Viswanathan, Vilayanur [Pacific Northwest National Laboratory (PNNL), 902 Battelle Boulevard, P.O. Box 999 Richland WA 99352 USA

    2016-01-01

    A chemistry agnostic cost performance model is described for a nonaqueous flow battery. The model predicts flow battery performance by estimating the active reaction zone thickness at each electrode as a function of current density, state of charge, and flow rate using measured data for electrode kinetics, electrolyte conductivity, and electrode-specific surface area. Validation of the model is conducted using a 4kW stack data at various current densities and flow rates. This model is used to estimate the performance of a nonaqueous flow battery with electrode and electrolyte properties used from the literature. The optimized cost for this system is estimated for various power and energy levels using component costs provided by vendors. The model allows optimization of design parameters such as electrode thickness, area, flow path design, and operating parameters such as power density, flow rate, and operating SOC range for various application duty cycles. A parametric analysis is done to identify components and electrode/electrolyte properties with the highest impact on system cost for various application durations. A pathway to 100$kWh-1 for the storage system is identified.

  12. Inactivation of various influenza strains to model avian influenza (Bird Flu) with various disinfectant chemistries.

    Energy Technology Data Exchange (ETDEWEB)

    Oberst, R. D.; Bieker, Jill Marie; Souza, Caroline Ann

    2005-12-01

    Due to the grave public health implications and economic impact possible with the emergence of the highly pathogenic avian influenza A isolate, H5N1, currently circulating in Asia we have evaluated the efficacy of various disinfectant chemistries against surrogate influenza A strains. Chemistries included in the tests were household bleach, ethanol, Virkon S{reg_sign}, and a modified version of the Sandia National Laboratories developed DF-200 (DF-200d, a diluted version of the standard DF-200 formulation). Validation efforts followed EPA guidelines for evaluating chemical disinfectants against viruses. The efficacy of the various chemistries was determined by infectivity, quantitative RNA, and qualitative protein assays. Additionally, organic challenges using combined poultry feces and litter material were included in the experiments to simulate environments in which decontamination and remediation will likely occur. In all assays, 10% bleach and Sandia DF-200d were the most efficacious treatments against two influenza A isolates (mammalian and avian) as they provided the most rapid and complete inactivation of influenza A viruses.

  13. Modelling atmospheric chemistry and long-range transport of emerging Asian pollutants

    CERN Document Server

    Wang, Kuo-Ying

    2008-01-01

    Modeling is a very important tool for scientific processes, requiring long-term dedication, desire, and continuous reflection. In this work, we discuss several aspects of modeling, and the reasons for doing it. We discuss two major modeling systems that have been built by us over the last 10 years. It is a long and arduous process but the reward of understanding can be enormous, as demonstrated in the examples shown in this work. We found that long-range transport of emerging Asian pollutants can be interpreted using a Lagrangian framework for wind analysis. More detailed processes still need to be modeled but an accurate representation of the wind structure is the most important thing above all others. Our long-term chemistry integrations reveal the capability of the IMS model in simulating tropospheric chemistry on a climate scale. These long-term integrations also show ways for further model development. Modeling is a quantitative process, and the understanding can be sustained only when theories are vigor...

  14. Aerosol Composition, Chemistry, and Source Characterization during the 2008 VOCALS Experiment

    Science.gov (United States)

    Lee, Y.; Springston, S.; Jayne, J. T.; Wang, J.; Senum, G.; Hubbe, J.; Alexander, L.; Brioude, J.; Spak, S.; Mena-Carrasco, M.; Kleinman, L. I.; Daum, P. H.

    2009-12-01

    Chemical composition of fine aerosol particles over the northern Chilean coastal waters was determined on board the US DOE G-1 aircraft during the VOCALS (VAMOS Ocean-Cloud-Atmosphere-Land Study) field experiment between October 16 and November 15, 2008. Chemical species determined included SO42-, NO3-, NH4+, and total organics (Org) using an Aerodyne Aerosol Mass Spectrometer, and SO42-, NO3-, NH4+, Na+, Cl-, CH3SO3-, Mg2+, Ca2+, and K+ using a particle-into-liquid sampler-ion chromatography technique. The results show the marine boundary layer (MBL) aerosol mass was dominated by non-sea-salt SO42- followed by Na+, Cl-, Org, NO3-, and NH4+, in decreasing importance; CH3SO3-, Ca2+, and K+ rarely exceeded their respective limits of detection. The SO42- aerosols were strongly acidic as the equivalent NH4+ to SO42- ratio was only ~0.25 on average. NaCl particles, presumably of sea-salt origin, showed chloride deficits but retained Cl- typically more than half the equivalency of Na+, and are believed to be externally mixed with the acidic sulfate aerosols. Nitrate was observed only on sea-salt particles, consistent with adsorption of HNO3 on non-acidic sea-salt aerosols, responsible partly for the Cl- deficit. Dust particles appeared to play a minor role judging from the small volume differences between that derived from the observed mass concentrations and that calculated based on particle size distributions. Because SO42- concentrations in the study domain were substantial (~0.5 - ~3 μg/m3) with a strong gradient (highest near the shore decreasing with distance from land), and the ocean-emitted dimethylsulfide and its unique oxidation product, CH3SO3-, were very low (i.e., ≤ 40 parts per trillion and power plants along coastal regions of Peru and Chile are the main sources of these SO4- aerosols. However, compared to observations, model calculations appeared to underestimate sulfate concentrations based on an existing emission inventory. An up-to-date and

  15. Organometallic Chemistry of Molybdenum.

    Science.gov (United States)

    Lucas, C. Robert; Walsh, Kelly A.

    1987-01-01

    Suggests ways to avoid some of the problems students have learning the principles of organometallic chemistry. Provides a description of an experiment used in a third-year college chemistry laboratory on molybdenum. (TW)

  16. Overview of the Chemistry-Aerosol Mediterranean Experiment/Aerosol Direct Radiative Forcing on the Mediterranean Climate (ChArMEx/ADRIMED) summer 2013 campaign

    OpenAIRE

    Mallet, Marc; Dulac, François; Formenti, Paola; Nabat, Pierre; Sclare, J.; Roberts, Gregory; Pelon, Jacques; Ancellet, Gérard; Tanré, Didier; Parol, Frédéric; A. di Sarra; Alados, L.; Arndt, J.; Auriol, Frédérique; L. Blarel

    2015-01-01

    The Chemistry-Aerosol Mediterranean Experiment (ChArMEx; http://charmex.lsce.ipsl.fr) is a collaborative research program federating international activities to investigate Mediterranean regional chemistry-climate interactions. A special observing period (SOP-1a) including intensive airborne measurements was performed in the framework of the Aerosol Direct Radiative Forcing on the Mediterranean Climate (ADRIMED) project during the Mediterranean dry season over the western and central Mediterr...

  17. Overview of the Chemistry-Aerosol Mediterranean Experiment/Aerosol Direct Radiative Forcing on the Mediterranean Climate (ChArMEx/ADRIMED) summer 2013 campaign

    OpenAIRE

    M. Mallet; Dulac, F.; Formenti, P.; P. Nabat; Sciare, J; Roberts, G; Pelon, J.; G. Ancellet; Tanré, D.; F. Parol; A. di Sarra; Alados, L.; Arndt, J; F. Auriol; Blarel, L.

    2015-01-01

    The Chemistry-Aerosol Mediterranean Experiment (ChArMEx; http://charmex.lsce.ipsl.fr) is a collaborative research program federating international activities to investigate Mediterranean regional chemistry-climate interactions. A special observing period (SOP-1a) including intensive airborne measurements was performed in the framework of the Aerosol Direct Radiative Forcing on the Mediterranean Climate (ADRIMED) project during the Mediterranean dry season ove...

  18. Overview of the Chemistry-Aerosol Mediterranean Experiment/Aerosol Direct Radiative Forcing on the Mediterranean Climate (ChArMEx/ADRIMED) summer 2013 campaign

    OpenAIRE

    Mallet, Marc; DULAC, FRANÇOIS; Formenti, Paola; Nabat, Pierre; Sclare, J.; Roberts, Gregory; Pelon, Jacques; Ancellet, Gérard; Tanré, Didier; Parol, Frédéric; A. Di Sarra; L. Alados; Arndt, J; Auriol, Frédérique; Blarel, L.

    2015-01-01

    International audience The Chemistry-Aerosol Mediterranean Experiment (ChArMEx; http://charmex.lsce.ipsl.fr) is a collaborative research program federating international activities to investigate Mediterranean regional chemistry-climate interactions. A special observing period (SOP-1a) including intensive airborne measurements was performed in the framework of the Aerosol Direct Radiative Forcing on the Mediterranean Climate (ADRIMED) project during the Mediterranean dry season over the we...

  19. How Much Cranberry Juice Is in Cranberry-Apple Juice? A General Chemistry Spectrophotometric Experiment

    Science.gov (United States)

    Edionwe, Etinosa; Villarreal, John R.; Smith, K. Christopher

    2011-01-01

    A laboratory experiment that spectrophotometrically determines the percent of cranberry juice in cranberry-apple juice is described. The experiment involves recording an absorption spectrum of cranberry juice to determine the wavelength of maximum absorption, generating a calibration curve, and measuring the absorbance of cranberry-apple juice.…

  20. Hydro-mechanical Modelling of SEALEX Experiments

    Czech Academy of Sciences Publication Activity Database

    Blaheta, Radim; Hasal, M.; Michalec, Zdeněk

    Ostrava: Ústav geoniky AV ČR, 2014 - (Blaheta, R.; Starý, J.; Sysalová, D.). s. 43-43 ISBN 978-80-86407-47-0. [Modelling 2014. 02.06.2014-06.06.2014, Rožnov pod Radhoštěm] R&D Projects: GA MŠk ED1.1.00/02.0070 Institutional support: RVO:68145535 Keywords : SEALEX experiments * modelling * Decovalex 2015 Subject RIV: BA - General Mathematics

  1. Using Mole Ratios of Electrolytic Products of Water for Analysis of Household Vinegar: An Experiment for the Undergraduate Physical Chemistry Laboratory

    Science.gov (United States)

    Dabke, Rajeev B.; Gebeyehu, Zewdu

    2012-01-01

    A simple 3-h physical chemistry undergraduate experiment for the quantitative analysis of acetic acid in household vinegar is presented. The laboratory experiment combines titration concept with electrolysis and an application of the gas laws. A vinegar sample was placed in the cathode compartment of the electrolysis cell. Electrolysis of water…

  2. Modeling a Thermal Seepage Laboratory Experiment

    International Nuclear Information System (INIS)

    A thermal seepage model has been developed to evaluate the potential for seepage into the waste emplacement drifts at the proposed high-level radioactive materials repository at Yucca Mountain when the rock is at elevated temperature. The coupled-process-model results show that no seepage occurs as long as the temperature at the drift wall is above boiling. This important result has been incorporated into the Total System Performance Assessment of Yucca Mountain. We have applied the same conceptual model to a laboratory heater experiment conducted by the Center for Nuclear Waste Regulatory Analyses. This experiment involves a fractured-porous rock system, composed of concrete slabs, heated by an electric heater placed in a 0.15 m diameter ''drift''. A substantial volume of water was released above the boiling zone over a time period of 135 days, giving rise to vaporization around the heat source. In this study, two basic conceptual models, similar to the thermal seepage models used in the Yucca Mountain Project, a dual-permeability model and an active-fracture model, are set up to predict evolution of temperature and saturation at the ''drift'' crown, and thereby to estimate potential for thermal seepage. Preliminary results from the model show good agreement with temperature profiles as well as with the potential seepage indicated in the lab experiments. These results build confidence in the thermal seepage models used in the Yucca Mountain Project. Different approaches are considered in our conceptual model to implement fracture-matrix interaction. Sensitivity analyses of fracture properties are conducted to help evaluation of uncertainty

  3. Development of a computational fluid dynamics and chemistry model for the fouling of jet fuels

    Science.gov (United States)

    Krazinski, J. L.; Vanka, S. P.; Pearce, J. A.; Roquemore, W. M.

    1990-03-01

    A new approach has been devised in which Computational Fluid Dynamic and Chemistry (CFDC) models are employed to predict the fluid mechanics, heat transfer, and deposition in fuel system components. The structure of this model is such that it has the potential of being used as a tool for research or to assist in the design of heat exchangers or other fuel system components. The model contains several unknown parameters that must be calibrated using experimental data for a particular fuel. This paper describes the development of the model, a method of calibrating the model, and a sensitivity analysis of the effects of different model parameters on predicted deposition rates in a heated tube.

  4. Finds in Testing Experiments for Model Evaluation

    Institute of Scientific and Technical Information of China (English)

    WU Ji; JIA Xiaoxia; LIU Chang; YANG Haiyan; LIU Chao

    2005-01-01

    To evaluate the fault location and the failure prediction models, simulation-based and code-based experiments were conducted to collect the required failure data. The PIE model was applied to simulate failures in the simulation-based experiment. Based on syntax and semantic level fault injections, a hybrid fault injection model is presented. To analyze the injected faults, the difficulty to inject (DTI) and difficulty to detect (DTD) are introduced and are measured from the programs used in the code-based experiment. Three interesting results were obtained from the experiments: 1) Failures simulated by the PIE model without consideration of the program and testing features are unreliably predicted; 2) There is no obvious correlation between the DTI and DTD parameters; 3) The DTD for syntax level faults changes in a different pattern to that for semantic level faults when the DTI increases. The results show that the parameters have a strong effect on the failures simulated, and the measurement of DTD is not strict.

  5. Bicycle Rider Control: Observations, Modeling & Experiments

    NARCIS (Netherlands)

    Kooijman, J.D.G.

    2012-01-01

    Bicycle designers traditionally develop bicycles based on experience and trial and error. Adopting modern engineering tools to model bicycle and rider dynamics and control is another method for developing bicycles. This method has the potential to evaluate the complete design space, and thereby dev

  6. INLAND DISSOLVED SALT CHEMISTRY: STATISTICAL EVALUATION OF BIVARIATE AND TERNARY DIAGRAM MODELS FOR SURFACE AND SUBSURFACE WATERS

    Science.gov (United States)

    We compared the use of ternary and bivariate diagrams to distinguish the effects of atmospheric precipitation, rock weathering, and evaporation on inland surface and subsurface water chemistry. The three processes could not be statistically differentiated using bivariate models e...

  7. 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

  8. Biogeochemical processes in a clay formation in situ experiment: Part E - Equilibrium controls on chemistry of pore water from the Opalinus Clay, Mont Terri Underground Research Laboratory, Switzerland

    International Nuclear Information System (INIS)

    Highlights: → Equilibrium models of water-rock reactions in clay rocks are reviewed. → Analyses of pore waters of the Opalinus Clay from boreholes in the Mont Terri URL, Switzerland, are tabulated. → Results of modelling with various mineral controls are compared with the analyses. → Best agreement results with calcite, dolomite and siderite or daphnite saturation, Na-K-Ca-Mg exchange and/or kaolinite, illite, quartz and celestite saturation. → This approach allows calculation of the chemistry of pore water in clays too impermeable to yield water samples. - Abstract: The chemistry of pore water (particularly pH and ionic strength) is an important property of clay rocks being considered as host rocks for long-term storage of radioactive waste. Pore waters in clay-rich rocks generally cannot be sampled directly. Instead, their chemistry must be found using laboratory-measured properties of core samples and geochemical modelling. Many such measurements have been made on samples from the Opalinus Clay from the Mont Terri Underground Research Laboratory (URL). Several boreholes in that URL yielded water samples against which pore water models have been calibrated. Following a first synthesis report published in 2003, this paper presents the evolution of the modelling approaches developed within Mont Terri URL scientific programs through the last decade (1997-2009). Models are compared to the composition of waters sampled during dedicated borehole experiments. Reanalysis of the models, parameters and database enabled the principal shortcomings of the previous modelling efforts to be overcome. The inability to model the K concentrations correctly with the measured cation exchange properties was found to be due to the use of an inappropriate selectivity coefficient for Na-K exchange; the inability to reproduce the measured carbonate chemistry and pH of the pore waters using mineral-water reactions alone was corrected by considering clay mineral equilibria. Re

  9. Biogeochemical processes in a clay formation in situ experiment: Part E - Equilibrium controls on chemistry of pore water from the Opalinus Clay, Mont Terri Underground Research Laboratory, Switzerland

    Energy Technology Data Exchange (ETDEWEB)

    Pearson, F.J., E-mail: fjpearson@gmail.com [Ground-Water Geochemistry, 5108 Trent Woods Dr., New Bern, NC 28562 (United States); Tournassat, Christophe; Gaucher, Eric C. [BRGM, B.P. 36009, 45060 Orleans Cedex 2 (France)

    2011-06-15

    Highlights: > Equilibrium models of water-rock reactions in clay rocks are reviewed. > Analyses of pore waters of the Opalinus Clay from boreholes in the Mont Terri URL, Switzerland, are tabulated. > Results of modelling with various mineral controls are compared with the analyses. > Best agreement results with calcite, dolomite and siderite or daphnite saturation, Na-K-Ca-Mg exchange and/or kaolinite, illite, quartz and celestite saturation. > This approach allows calculation of the chemistry of pore water in clays too impermeable to yield water samples. - Abstract: The chemistry of pore water (particularly pH and ionic strength) is an important property of clay rocks being considered as host rocks for long-term storage of radioactive waste. Pore waters in clay-rich rocks generally cannot be sampled directly. Instead, their chemistry must be found using laboratory-measured properties of core samples and geochemical modelling. Many such measurements have been made on samples from the Opalinus Clay from the Mont Terri Underground Research Laboratory (URL). Several boreholes in that URL yielded water samples against which pore water models have been calibrated. Following a first synthesis report published in 2003, this paper presents the evolution of the modelling approaches developed within Mont Terri URL scientific programs through the last decade (1997-2009). Models are compared to the composition of waters sampled during dedicated borehole experiments. Reanalysis of the models, parameters and database enabled the principal shortcomings of the previous modelling efforts to be overcome. The inability to model the K concentrations correctly with the measured cation exchange properties was found to be due to the use of an inappropriate selectivity coefficient for Na-K exchange; the inability to reproduce the measured carbonate chemistry and pH of the pore waters using mineral-water reactions alone was corrected by considering clay mineral equilibria. Re

  10. The Blue Bottle Reaction as a General Chemistry Experiment on Reaction Mechanisms

    Science.gov (United States)

    Engerer, Steven C.; Cook, A. Gilbert

    1999-11-01

    A kinetics/reaction mechanism experiment using the classic blue bottle reaction is described. Using the scientific method (observe, question, hypothesize, experiment, repeat) students propose and test possible reaction mechanisms for the methylene blue-catalyzed oxidation of dextrose with its dramatic color change. Students are led to discover the three-step mechanism through a series of questions. An advanced version for honors lab courses is also suggested.

  11. Review of the formulation of present-generation stratospheric chemistry-climate models and associated external forcings

    Science.gov (United States)

    Morgenstern, O.; Giorgetta, M. A.; Shibata, K.; Eyring, V.; Waugh, D. W.; Shepherd, T. G.; Akiyoshi, H.; Austin, J.; Baumgaertner, A. J. G.; Bekki, S.; Braesicke, P.; Brühl, C.; Chipperfield, M. P.; Cugnet, D.; Dameris, M.; Dhomse, S.; Frith, S. M.; Garny, H.; Gettelman, A.; Hardiman, S. C.; Hegglin, M. I.; JöCkel, P.; Kinnison, D. E.; Lamarque, J.-F.; Mancini, E.; Manzini, E.; Marchand, M.; Michou, M.; Nakamura, T.; Nielsen, J. E.; Olivié, D.; Pitari, G.; Plummer, D. A.; Rozanov, E.; Scinocca, J. F.; Smale, D.; TeyssèDre, H.; Toohey, M.; Tian, W.; Yamashita, Y.

    2010-01-01

    The goal of the Chemistry-Climate Model Validation (CCMVal) activity is to improve understanding of chemistry-climate models (CCMs) through process-oriented evaluation and to provide reliable projections of stratospheric ozone and its impact on climate. An appreciation of the details of model formulations is essential for understanding how models respond to the changing external forcings of greenhouse gases and ozone-depleting substances, and hence for understanding the ozone and climate forecasts produced by the models participating in this activity. Here we introduce and review the models used for the second round (CCMVal-2) of this intercomparison, regarding the implementation of chemical, transport, radiative, and dynamical processes in these models. In particular, we review the advantages and problems associated with approaches used to model processes of relevance to stratospheric dynamics and chemistry. Furthermore, we state the definitions of the reference simulations performed, and describe the forcing data used in these simulations. We identify some developments in chemistry-climate modeling that make models more physically based or more comprehensive, including the introduction of an interactive ocean, online photolysis, troposphere-stratosphere chemistry, and non-orographic gravity-wave deposition as linked to tropospheric convection. The relatively new developments indicate that stratospheric CCM modeling is becoming more consistent with our physically based understanding of the atmosphere.

  12. An exploratory study of proficient undergraduate Chemistry II students' application of Lewis's model

    Science.gov (United States)

    Lewis, Sumudu R.

    This exploratory study was based on the assumption that proficiency in chemistry must not be determined exclusively on students' declarative and procedural knowledge, but it should be also described as the ability to use variety of reasoning strategies that enrich and diversify procedural methods. The study furthermore assumed that the ability to describe the structure of a molecule using Lewis's model and use it to predict its geometry as well as some of its properties is indicative of proficiency in the essential concepts of covalent bonding and molecule structure. The study therefore inquired into the reasoning methods and procedural techniques of proficient undergraduate Chemistry II students when solving problems, which require them to use Lewis's model. The research design included an original survey, designed by the researcher for this study, and two types of interviews, with students and course instructors. The purpose of the survey was two-fold. First and foremost, the survey provided a base for the student interview selection, and second it served as the foundation for the inquiry into the strategies the student use when solving survey problems. Twenty two students were interviewed over the course of the study. The interview with six instructors allowed to identify expected prior knowledge and skills, which the students should have acquired upon completion of the Chemistry I course. The data, including videos, audios, and photographs of the artifacts produced by students during the interviews, were organized and analyzed manually and using QSR NVivo 10. The research found and described the differences between proficient and non-proficient students' reasoning and procedural strategies when using Lewis's model to describe the structure of a molecule. One of the findings clearly showed that the proficient students used a variety of cues to reason, whereas other students used one memorized cue, or an algorithm, which often led to incorrect representations in

  13. Modeling aluminum-silicon chemistries and application to Australian acidic playa lakes as analogues for Mars

    Science.gov (United States)

    Marion, G.M.; Crowley, J.K.; Thomson, B.J.; Kargel, J.S.; Bridges, N.T.; Hook, S.J.; Baldridge, A.; Brown, A.J.; Ribeiro da Luz, B.; de Souza, Filho C.R.

    2009-01-01

    Recent Mars missions have stimulated considerable thinking about the surficial geochemical evolution of Mars. Among the major relevant findings are the presence in Meridiani Planum sediments of the mineral jarosite (a ferric sulfate salt) and related minerals that require formation from an acid-salt brine and oxidizing environment. Similar mineralogies have been observed in acidic saline lake sediments in Western Australia (WA), and these lakes have been proposed as analogues for acidic sedimentary environments on Mars. The prior version of the equilibrium chemical thermodynamic FREZCHEM model lacked Al and Si chemistries that are needed to appropriately model acidic aqueous geochemistries on Earth and Mars. The objectives of this work were to (1) add Al and Si chemistries to the FREZCHEM model, (2) extend these chemistries to low temperatures (Aluminum chloride and sulfate mineral parameterizations were based on experimental data. Aluminum hydroxide and silicon mineral parameterizations were based on Gibbs free energy and enthalpy data. New aluminum and silicon parameterizations added 12 new aluminum/silicon minerals to this Na-K-Mg-Ca-Fe(II)-Fe(III)-Al-H-Cl-Br-SO4-NO3-OH-HCO3-CO3-CO2-O2-CH4-Si-H2O system that now contain 95 solid phases. There were similarities, differences, and uncertainties between Australian acidic, saline playa lakes and waters that likely led to the Burns formation salt accumulations on Mars. Both systems are similar in that they are dominated by (1) acidic, saline ground waters and sediments, (2) Ca and/or Mg sulfates, and (3) iron precipitates such as jarosite and hematite. Differences include: (1) the dominance of NaCl in many WA lakes, versus the dominance of Fe-Mg-Ca-SO4 in Meridiani Planum, (2) excessively low K+ concentrations in Meridiani Planum due to jarosite precipitation, (3) higher acid production in the presence of high iron concentrations in Meridiani Planum, and probably lower rates of acid neutralization and hence, higher

  14. A report on workshops: General circulation model study of climate- chemistry interaction

    International Nuclear Information System (INIS)

    This report summarizes the discussion on General Circulation Model Study of Climate-Chemistry Interaction from two workshops, the first held 19--21 August 1992 at Oslo, Norway and the second 26--27 May 1993 at Albany, New York, USA. The workshops are the IAMAP activities under the Trace Constituent Working Group. The main objective of the two workshops was to recommend specific general circulation model (GCM) studies of the ozone distribution and the climatic effect of its changes. The workshops also discussed the climatic implications of increasing sulfate aerosols because of its importance to regional climate. The workshops were organized into four working groups: observation of atmospheric O3; modeling of atmospheric chemical composition; modeling of sulfate aerosols; and aspects of climate modeling

  15. Improved simulation of isoprene oxidation chemistry with the ECHAM5/MESSy chemistry-climate model: lessons from the GABRIEL airborne field campaign

    OpenAIRE

    Butler, T M; Taraborrelli, D.; C. Brühl; H. Fischer; Harder, H.; Martinez, M.; Williams, J; Lawrence, M. G.; Lelieveld, J.

    2008-01-01

    The GABRIEL airborne field measurement campaign, conducted over the Guyanas in October 2005, produced measurements of hydroxyl radical (OH) concentration which are significantly higher than can be simulated using current generation models of atmospheric chemistry. Based on the hypothesis that this "missing OH" is due to an as-yet undiscovered mechanism for recycling OH during the oxidation chain of isoprene, we determine that an OH recycling of about 40–50% (compared with ...

  16. Modeling Users' Experiences with Interactive Systems

    CERN Document Server

    Karapanos, Evangelos

    2013-01-01

    Over the past decade the field of Human-Computer Interaction has evolved from the study of the usability of interactive products towards a more holistic understanding of how they may mediate desired human experiences.  This book identifies the notion of diversity in usersʼ experiences with interactive products and proposes methods and tools for modeling this along two levels: (a) interpersonal diversity in usersʽ responses to early conceptual designs, and (b) the dynamics of usersʼ experiences over time. The Repertory Grid Technique is proposed as an alternative to standardized psychometric scales for modeling interpersonal diversity in usersʼ responses to early concepts in the design process, and new Multi-Dimensional Scaling procedures are introduced for modeling such complex quantitative data. iScale, a tool for the retrospective assessment of usersʼ experiences over time is proposed as an alternative to longitudinal field studies, and a semi-automated technique for the analysis of the elicited exper...

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

    Energy Technology Data Exchange (ETDEWEB)

    Garny, Hella

    2011-05-13

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

  18. Comparing three vegetation monoterpene emission models to measured gas concentrations with a model of meteorology, air chemistry and chemical transport

    OpenAIRE

    S. Smolander; Q. He; D. Mogensen; Zhou, L; Bäck, J.; T. Ruuskanen; Noe, S.; A. Guenther; Aaltonen, H.; Kulmala, M.; Boy, M.

    2014-01-01

    Biogenic volatile organic compounds (BVOCs) are essential in atmospheric chemistry because of their chemical reactions that produce and destroy tropospheric ozone, their effects on aerosol formation and growth, and their potential influence on global warming. As one of the important BVOC groups, monoterpenes have been a focus of scientific attention in atmospheric research. Detailed regional measurements and model estimates are needed to study emission potential and the mono...

  19. Solar cycle variations of stratospheric ozone and temperature in simulations of a coupled chemistry-climate model

    Directory of Open Access Journals (Sweden)

    J. Austin

    2007-01-01

    Full Text Available The results from three 45-year simulations of a coupled chemistry climate model are analysed for solar cycle influences on ozone and temperature. The simulations include UV forcing at the top of the atmosphere, which includes a generic 27-day solar rotation effect as well as the observed monthly values of the solar fluxes. The results are analysed for the 27-day and 11-year cycles in temperature and ozone. In accordance with previous results, the 27-day cycle results are in good qualitative agreement with observations, particularly for ozone. However, the results show significant variations, typically a factor of two or more in sensitivity to solar flux, depending on the solar cycle. In the lower and middle stratosphere we show good agreement also between the modelled and observed 11-year cycle results for the ozone vertical profile averaged over low latitudes. In particular, the minimum in solar response near 20 hPa is well simulated. In comparison, experiments of the model with fixed solar phase (solar maximum/solar mean and climatological sea surface temperatures lead to a poorer simulation of the solar response in the ozone vertical profile, indicating the need for variable phase simulations in solar sensitivity experiments. The role of sea surface temperatures and tropical upwelling in simulating the ozone minimum response are also discussed.

  20. Ship plume dispersion rates in convective boundary layers for chemistry models

    Directory of Open Access Journals (Sweden)

    F. Chosson

    2008-04-01

    Full Text Available Detailed ship plume simulations in various convective boundary layer situations have been performed using a Lagrangian Dispersion Model driven by a Large Eddy Simulation Model. The simulations focus on early stage (1–2 h of plume dispersion regime and take into account the effects of plume rise on dispersion. Results are presented in an attempt to provide to chemical modellers community a realistic description of the impact of characteristic dispersion on exhaust ship plume chemistry. Plume dispersion simulations are used to derive analytical dilution rate functions. Even though results exhibit striking effects of plume rise parameter on dispersion patterns, it is shown that initial buoyancy fluxes at ship stack have minor effect on plume dilution rate. After initial high dispersion regimes a simple characteristic dilution time scale can be used to parameterize the subgrid plume dilution effects in large scale chemistry models. The results show that this parameter is directly related to the typical turn-over time scale of the convective boundary layer.

  1. The effects of computer animation on the particulate mental models of college chemistry students

    Science.gov (United States)

    Williamson, Vickie M.; Abraham, Michael R.

    Modern chemistry concepts have the particulate nature of matter at their core. Chemists explain most phenomena in terms of atomic and molecular models. The lack of understanding of chemistry concepts may be linked to the students' inability to build complete mental models that visualize particulate behavior. With computer animation technology, dynamic and three-dimensional presentations are possible. This study explores the effect of computer animations depicting the particulate nature of matter on college students' mental models of the chemical phenomena. A Particulate Nature of Matter Evaluation Test (PNMET) instrument was used to determine the nature of the students' visualizations and, therefore, their comprehension of the chemical concept studied. Animations were used in two treatment situations: (a) as a supplement in large-group lectures, and (b) as both the lecture supplement and an assigned individual activity in a computer laboratory. These two experimental treatments were compared to a control group. Both treatment groups received significantly higher conceptual understanding scores on the PNMET than did the control group. This increased understanding may be due to the superiority of the formation of more expertlike, dynamic mental models of particle behavior in these chemical processes.

  2. Peer-teaching in the food chemistry laboratory: student-produced experiments, peer and audio feedback, and integration of employability skills

    Directory of Open Access Journals (Sweden)

    Julie Lisa Dunne

    2014-10-01

    Full Text Available This paper describes the author’s experience over the last several years of implementing an alternative Food Chemistry laboratory practical model for a group of third-year BSc Nutraceuticals students. The initial main objectives were to prepare students for the more independent final-year research project; to incorporate innovative approaches to feedback; and to integrate key employability skills into the curriculum. These were achieved through building the skills required to ultimately allow students working in groups to research, design and run a laboratory for their class. The first year of the project involved innovative approaches to feedback, including weekly feedback sessions, report checklists and audio feedback podcasts. Student evaluation after one year suggested the case group felt more prepared for final-year research projects and work placement owing to the redesign of the laboratory assessment. This, together with general positive feedback across several indicators, was proof of concept, and was a foundation for an improved model. The improvements related to the organisation and management of the project, but the same pedagogical approach has been retained. The second year saw the introduction of a more rigorous and easier to manage peer evaluation though use of the online Comprehensive Assessment for Team-Member Effectiveness (CATME tool. The most recent revision has included a Project Wiki hosted on Blackboard to facilitate the organisation, communication, assessment and feedback of student-generated resources.More recently, the final-year students who had participated in the peer-teaching Food Chemistry labs when in third year have been evaluated. This evaluation took place following their research projects, and suggests that the peer-teaching model better prepared them for these activities, compared to traditional laboratories.

  3. Introducing Undergraduate Students to Electrochemistry: A Two-Week Discovery Chemistry Experiment

    Science.gov (United States)

    Mills, Kenneth V.; Herrick, Richard S.; Guilmette, Louise W.; Nestor, Lisa P.; Shafer, Heather; Ditzler, Mauri A.

    2008-01-01

    Within the framework of a laboratory-focused, guided-inquiry pedagogy, students discover the Nernst equation, the spontaneity of galvanic cells, concentration cells, and the use of electrochemical data to calculate equilibrium constants. The laboratory experiment we describe here is a continuation of curriculum reform and pedagogical innovation at…

  4. Synthesis of Carbon Nanotube-Inorganic Hybrid Nanocomposites: An Instructional Experiment in Nanomaterials Chemistry

    Science.gov (United States)

    de Dios, Miguel; Salgueirino, Veronica; Perez-Lorenzo, Moises; Correa-Duarte, Miguel A.

    2012-01-01

    An experiment is described to introduce advanced undergraduate students to an exciting area of nanotechnology that incorporates nanoparticles onto carbon nanotubes to produce systems that have valuable technological applications. The synthesis of such material has been easily achieved through a simple three-step procedure. Students explore…

  5. NMR Determination of Hydrogen Bond Thermodynamics in a Simple Diamide: A Physical Chemistry Experiment

    Science.gov (United States)

    Morton, Janine G.; Joe, Candice L.; Stolla, Massiel C.; Koshland, Sophia R.; Londergan, Casey H.; Schofield, Mark H.

    2015-01-01

    Variable temperature NMR spectroscopy is used to determine the ?H° and ?S° of hydrogen bond formation in a simple diamide. In this two- or three-day experiment, students synthesize N,N'-dimethylmalonamide, dimethylsuccinamide, dimethylglutaramide, or dimethyladipamide from methylamine and the corresponding diester (typically in 50% recrystallized…

  6. Instrumental Analysis of Biodiesel Content in Commercial Diesel Blends: An Experiment for Undergraduate Analytical Chemistry

    Science.gov (United States)

    Feng, Z. Vivian; Buchman, Joseph T.

    2012-01-01

    The potential of replacing petroleum fuels with renewable biofuels has drawn significant public interest. Many states have imposed biodiesel mandates or incentives to use commercial biodiesel blends. We present an inquiry-driven experiment where students are given the tasks to gather samples, develop analytical methods using various instrumental…

  7. Quantitative Investigations of Biodiesel Fuel Using Infrared Spectroscopy: An Instrumental Analysis Experiment for Undergraduate Chemistry Students

    Science.gov (United States)

    Ault, Andrew P.; Pomeroy, Robert

    2012-01-01

    Biodiesel has gained attention in recent years as a renewable fuel source due to its reduced greenhouse gas and particulate emissions, and it can be produced within the United States. A laboratory experiment designed for students in an upper-division undergraduate laboratory is described to study biodiesel production and biodiesel mixing with…

  8. The Radiative Decay of Green and Red Photoluminescent Phosphors: An Undergraduate Kinetics Experiment for Materials Chemistry

    Science.gov (United States)

    Esposti, C. Degli; Bizzocchi, L.

    2008-01-01

    This article describes a laboratory experiment that allows the students to investigate the radiative properties of the green and red emitting phosphors that are employed in commercial fluorescent lamps. Making use of a spectrofluorometer, students first record the emission spectrum of a fluorescent lamp under normal operating conditions, and then…

  9. Quenching of Tryptophan Fluorescence in Unfolded Cytochrome "c": A Biophysics Experiment for Physical Chemistry Students

    Science.gov (United States)

    Schlamadinger, Diana E.; Kats, Dina I.; Kim, Judy E.

    2010-01-01

    Laboratory experiments that focus on protein folding provide excellent opportunities for undergraduate students to learn important topics in the expanding interdisciplinary field of biophysics. Here, we describe the use of Stern-Volmer plots to determine the extent of solvent accessibility of the single tryptophan residue (trp-59) in unfolded and…

  10. Online calculation of global marine halocarbon emissions in the chemistry climate model EMAC

    Science.gov (United States)

    Lennartz, Sinikka T.; Krysztofiak-Tong, Gisèle; Sinnhuber, Björn-Martin; Marandino, Christa A.; Tegtmeier, Susann; Krüger, Kirstin; Ziska, Franziska; Quack, Birgit

    2015-04-01

    Marine produced trace gases such as dibromomethane (CH2Br2), bromoform (CHBr3) and methyl iodide (CH3I) significantly impact tropospheric and stratospheric chemistry. Marine emissions are the dominant source of halocarbons to the atmosphere, and therefore, it is crucial to represent them accurately in order to model their impact on atmospheric chemistry. Chemistry climate models are a frequently used tool for quantifying the influence of halocarbons on ozone depletion. In these model simulations, marine emissions of halocarbons have mainly been prescribed from established emission climatologies, thus neglecting the interaction with the actual state of the atmosphere in the model. Here, we calculate halocarbon marine emissions for the first time online by coupling the submodel AIRSEA to the chemical climate model EMAC. Our method combines prescribed water concentrations and varying atmospheric concentrations derived from the model instead of using fixed emission climatologies. This method has a number of conceptual and practical advantages, as the modelled emissions can respond consistently to changes in temperature, wind speed, possible sea ice cover and atmospheric concentration in the model. Differences between the climatology-based and the new approach (2-18%) result from consideration of the actual, time-varying state of the atmosphere and the consideration of air-side transfer velocities. Extensive comparison to observations from aircraft, ships and ground stations reveal that interactively computing the air-sea flux from prescribed water concentrations leads to equally or more accurate atmospheric concentrations in the model compared to using constant emission climatologies. The effect of considering the actual state of the atmosphere is largest for gases with concentrations close to equilibrium in the surface ocean, such as CH2Br2. Halocarbons with comparably long atmospheric lifetimes, e.g. CH2Br2, are reflected more accurately in EMAC when compared to time

  11. Conducting food Chemistry experiments on the basis of the practical applications%以实际应用为基础开展食品化学实验

    Institute of Scientific and Technical Information of China (English)

    王可兴

    2014-01-01

    Food chemical experiments as a compulsory course play an important role in college student professional education. Food Chemistry experiments innovation is the inevitable outcome with social development. Based on the innovation of food Chemistry experiments and combined with teaching experience for many years, the view conducting food Chemistry experiments on the basis of the practical applications was point out and expected to widen the road of innovation in food Chemistry experiment courses.%食品化学实验是食品科学专业必修课程,对大学生职业化教育起重要作用。近年来,随着社会对人才培养要求的不断提高,食品化学实验课程改革已是社会发展的必然。以创新食品化学实验为起点,结合多年教学经验,提出以实际应用为基础展开食品化学实验的观点,拓宽食品化学实验课程的创新之路。

  12. Hydroxyl and Hydroperoxy Radical Chemistry during the MCMA-2006 Field Campaign: Measurement and Model Comparison

    Science.gov (United States)

    Dusanter, S.; Vimal, D.; Stevens, P. S.; Volkamer, R.; Molina, L. T.

    2007-12-01

    The Mexico City Metropolitan Area (MCMA) field campaign, held in March 2006, was a unique opportunity to collect data in one of the most polluted megacities in the world. Such environments exhibit a complex oxidation chemistry involving a strong coupling between odd hydrogen radicals (HOX=OH+HO2) and nitrogen oxides species (NOX=NO+NO2). High levels of volatile organic compounds (VOCs) and NOX control the HOX budget and lead to elevated tropospheric ozone formation. The HOX-NOX coupling can be investigated by comparing measured and model-predicted HOx concentrations. Atmospheric HOX concentrations were measured by the Indiana University laser-induced fluorescence instrument and data were collected at the Instituto Mexicano del Petroleo between 14 and 31 March. Measured hydroxyl radical (OH) concentrations are comparable to that measured in less polluted urban environments and suggest that the OH concentrations are highly buffered under high NOX conditions. In contrast, hydroperoxy radical (HO2) concentrations are more sensitive to the NOX levels and are highly variable between different urban sites. Enhanced levels of OH and HO2 radicals were observed on several days between 9h30-11h00 AM and suggest an additional HOX source for the morning hours and/or a fast HOX cycling under the high NOX conditions of the MCMA. A preliminary investigation of the HOX chemistry occurring in the MCMA urban atmosphere was performed using a photochemical box model based on the Regional Atmospheric Chemistry Mechanism (RACM). Model comparisons will be presented and the agreement between measured and predicted HOX concentrations will be discussed.

  13. Linking soil chemistry, treeline shifts and climate change: scenario modeling using an experimental approach

    Science.gov (United States)

    Mavris, Christian; Furrer, Gerhard; Anderson, Susanne; Blum, Alex; Wells, Aaron; Dahms, Dennis; Egli, Markus

    2014-05-01

    Climate change and global warming have a strong influence on the landscape development. As cold areas become warmer, both flora and fauna must adapt to new conditions (a). It is widely accepted that climate changes deeply influence the treeline shifts. In addition to that, wildfires, plant diseases and insect infestation (i.e. mountain pine beetle) can promote a selective replacement of plants, inhibiting some and favoring others, thus modifying the ecosystem in diverse ways. There is little knowledge on the behavior of soil chemistry when such changes occur. Will elemental availability become a crucial factor as a function of climate changes? The Sinks Canyon and Stough Basin - SE flank of the Wind River Range, Wyoming, USA - offer an ideal case study. Conceptually, the areas were divided into three main subsets: tundra, forest and a subarid environment. All soils were developed on granitoid moraines (b, c). From each subset, a liquid topsoil extract was produced and mixed with the solid subsoil samples in batch reactors at 50 °C. The batch experiments were carried out over 1800 h, and the progress of the dissolution was regularly monitored by analyzing liquid aliquots using IC and ICP-OES. The nutrients were mostly released within the first hours of the experiment. Silicon and Al were continuously released into the solution, while some alkali elements - i.e. Na - showed a more complex trend. Organic acids (acetic, citric) and other ligands produced during biodegradation played an active role in mineral dissolution and nutrient release. The mineral colloids detected in the extract (X-ray diffraction) can significantly control surface reactions (adsorption/desorption) and contributed to specific cationic concentrations. The experimental set up was then compared to a computed dissolution model using SerialSTEADYQL software (d, e). Decoding the mechanisms driving mineral weathering is the key to understand the main geochemical aspects of adaptation during climate

  14. Background modeling for the GERDA experiment

    Science.gov (United States)

    Becerici-Schmidt, N.; Gerda Collaboration

    2013-08-01

    The neutrinoless double beta (0νββ) decay experiment GERDA at the LNGS of INFN has started physics data taking in November 2011. This paper presents an analysis aimed at understanding and modeling the observed background energy spectrum, which plays an essential role in searches for a rare signal like 0νββ decay. A very promising preliminary model has been obtained, with the systematic uncertainties still under study. Important information can be deduced from the model such as the expected background and its decomposition in the signal region. According to the model the main background contributions around Qββ come from 214Bi, 228Th, 42K, 60Co and α emitting isotopes in the 226Ra decay chain, with a fraction depending on the assumed source positions.

  15. Background modeling for the GERDA experiment

    International Nuclear Information System (INIS)

    The neutrinoless double beta (0νββ) decay experiment GERDA at the LNGS of INFN has started physics data taking in November 2011. This paper presents an analysis aimed at understanding and modeling the observed background energy spectrum, which plays an essential role in searches for a rare signal like 0νββ decay. A very promising preliminary model has been obtained, with the systematic uncertainties still under study. Important information can be deduced from the model such as the expected background and its decomposition in the signal region. According to the model the main background contributions around Qββ come from 214Bi, 228Th, 42K, 60Co and α emitting isotopes in the 226Ra decay chain, with a fraction depending on the assumed source positions

  16. Background modeling for the GERDA experiment

    Energy Technology Data Exchange (ETDEWEB)

    Becerici-Schmidt, N. [Max-Planck-Institut für Physik, München (Germany); Collaboration: GERDA Collaboration

    2013-08-08

    The neutrinoless double beta (0νββ) decay experiment GERDA at the LNGS of INFN has started physics data taking in November 2011. This paper presents an analysis aimed at understanding and modeling the observed background energy spectrum, which plays an essential role in searches for a rare signal like 0νββ decay. A very promising preliminary model has been obtained, with the systematic uncertainties still under study. Important information can be deduced from the model such as the expected background and its decomposition in the signal region. According to the model the main background contributions around Q{sub ββ} come from {sup 214}Bi, {sup 228}Th, {sup 42}K, {sup 60}Co and α emitting isotopes in the {sup 226}Ra decay chain, with a fraction depending on the assumed source positions.

  17. Background modeling for the GERDA experiment

    CERN Document Server

    Becerici-Schmidt, N

    2013-01-01

    The neutrinoless double beta (0nubb) decay experiment GERDA at the LNGS of INFN has started physics data taking in November 2011. This paper presents an analysis aimed at understanding and modeling the observed background energy spectrum, which plays an essential role in searches for a rare signal like 0nubb decay. A very promising preliminary model has been obtained, with the systematic uncertainties still under study. Important information can be deduced from the model such as the expected background and its decomposition in the signal region. According to the model the main background contributions around Qbb come from Bi-214, Th-228, K-42, Co-60 and alpha emitting isotopes in the Ra-226 decay chain, with a fraction depending on the assumed source positions.

  18. Modelization of ratcheting in biaxial experiments

    International Nuclear Information System (INIS)

    A new unified viscoplastic constitutive equation has been developed in order to interpret ratcheting experiments on mechanical structures of fast reactors. The model is based essentially on a generalized Armstrong Frederick equation for the kinematic variable; the coefficients of the dynamic recovery term in this equation is a function of both instantaneous and accumulated inelastic strain which is allowed to vary in an appropriate manner in order to reproduce the experimental ratcheting rate. The validity of the model is verified by comparing predictions with experimental results for austenitic stainless steel (17-12 SPH) tubular specimens subjected to cyclic torsional loading under constant tensile stress at 6000C

  19. Data assimilation and model evaluation experiment datasets

    Science.gov (United States)

    Lai, Chung-Cheng A.; Qian, Wen; Glenn, Scott M.

    1994-01-01

    The Institute for Naval Oceanography, in cooperation with Naval Research Laboratories and universities, executed the Data Assimilation and Model Evaluation Experiment (DAMEE) for the Gulf Stream region during fiscal years 1991-1993. Enormous effort has gone into the preparation of several high-quality and consistent datasets for model initialization and verification. This paper describes the preparation process, the temporal and spatial scopes, the contents, the structure, etc., of these datasets. The goal of DAMEE and the need of data for the four phases of experiment are briefly stated. The preparation of DAMEE datasets consisted of a series of processes: (1) collection of observational data; (2) analysis and interpretation; (3) interpolation using the Optimum Thermal Interpolation System package; (4) quality control and re-analysis; and (5) data archiving and software documentation. The data products from these processes included a time series of 3D fields of temperature and salinity, 2D fields of surface dynamic height and mixed-layer depth, analysis of the Gulf Stream and rings system, and bathythermograph profiles. To date, these are the most detailed and high-quality data for mesoscale ocean modeling, data assimilation, and forecasting research. Feedback from ocean modeling groups who tested this data was incorporated into its refinement. Suggestions for DAMEE data usages include (1) ocean modeling and data assimilation studies, (2) diagnosis and theoretical studies, and (3) comparisons with locally detailed observations.

  20. The Meteorology-Chemistry Interface Processor (MCIP for the CMAQ modeling system

    Directory of Open Access Journals (Sweden)

    T. L. Otte

    2009-12-01

    Full Text Available The Community Multiscale Air Quality (CMAQ modeling system, a state-of-the-science regional air quality modeling system developed by the US Environmental Protection Agency, is being used for a variety of environmental modeling problems including regulatory applications, air quality forecasting, evaluation of emissions control strategies, process-level research, and interactions of global climate change and regional air quality. The Meteorology-Chemistry Interface Processor (MCIP is a vital piece of software within the CMAQ modeling system that serves to, as best as possible, maintain dynamic consistency between the meteorological model and the chemical transport model. MCIP acts as both a post-processor to the meteorological model and a pre-processor to the CMAQ modeling system. MCIP's functions are to ingest the meteorological model output fields in their native formats, perform horizontal and vertical coordinate transformations, diagnose additional atmospheric fields, define gridding parameters, and prepare the meteorological fields in a form required by the CMAQ modeling system. This paper provides an updated overview of MCIP, documenting the scientific changes that have been made since it was first released as part of the CMAQ modeling system in 1998.