WorldWideScience

Sample records for modeling fishery chemistry

  1. Production economic models of fisheries

    DEFF Research Database (Denmark)

    Andersen, Jesper Levring

    The overall purpose of this PhD thesis is to investigate different aspects of fishermen’s behaviour using production economic models at the individual and industry levels. Three parts make up this thesis. The first part provides an overview of the thesis. The second part consists of four papers a...... in relation to an ITQ system, including concentration, specialisation, market activity and price changes. Finally, plausible consequences of exogenous chocks and changes in management practice in the form of mesh size increases are considered....... via individual learning and adjustments in output mix. All the papers included in Part II: Modelling and Evaluating Fishermen’s Behaviour consider factors influencing fishermen’s behaviour. Knowledge about these factors is important to give a correct description of fishermen’s behaviour. However....... They concern the ability to learn best-practice (catch-up) and the ability to change the input and output composition (mix). The framework is then adapted to a dataset from the Danish fishery. Not surprisingly, the gains rise with increased behavioural flexibility. Under the most restrictive assumptions...

  2. On avoidance activities in fishery enforcement models

    DEFF Research Database (Denmark)

    Jensen, Frank; Kronbak, Lone Grønbæk; Abildtrup, Jens

    2014-01-01

    Compliance and enforcement in fisheries are important issues from an economic point of view since management measures are useless without a certain level of enforcement. These conclusions come from the well-established theoretical literature on compliance and enforcement problems within fisheries...... the likelihood of being detected when noncomplying. The paper presents a model of fisheries that allows the fishermen to engage in avoidance activities. The conclusions from the model are that, under certain circumstances, fines are costly transfers to society since they not only have a direct positive effect...... offenders. For an externality, that has an exogenous effect on other actors, Malik shows that fines are only costly transfers for conditional deterrence (when one actor is deterred while another actor is not). For fisheries, we show that fines are also costly transfers under no deterrence (when no agents...

  3. Modelling electric discharge chemistry

    International Nuclear Information System (INIS)

    McFarlane, J.; Wren, J.C.

    1991-07-01

    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 CF 2 Cl 2 , HCN, and SO 2 . The modelling results indicate that an electric discharge should be able to remove HCN and CF 2 Cl 2 effectively, especially if the discharge conditions have been optimized. Effective destruction is achieved with a moderate electric field (over 1 x 10 -15 V.cm 2 ), a substantial electron number density (over 1 x 10 12 cm -3 ), and the presence of H 2 0 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 SO 2 , 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 SO 2 . An objective of the study was to explain the apparent enhancement of SO 2 destruction by the presence of a small amount of NO 2 . It was thought that a likely explanation would be the stabilization of HOSO 2 , an important intermediate in the oxidation of SO 2 by NO 2 . (49 figs., 14 tabs., 75 refs.)

  4. AN ECOSYSTEM MODEL OF FISHERIES AND NUTRIENT ENRICHMENT

    DEFF Research Database (Denmark)

    Nguyen, Thanh Viet; Vestergaard, Niels

    2009-01-01

    in the general ecosystem models. The objectives of this paper are modeling the impacts of nutrient enrichment on fisheries; particularly the impacts on consumer stocks and the fisheries based on these stocks are presented. We consider an aquatic ecosystem with four components: producers (autotrophs), consumers....... Consequently, consumer stocks are indirectly affected by pollution sources. Our model simulates these processes in the ecosystem.......  Economic models of fishery largely ignore the linkages to lower trophic levels. In particular, environmental data and other bottom-up information is widely disregarded. Nor are changes in physical environment (bottom-up) alongside both exogenous and endogenous environmental effects included...

  5. The added value of participatory modelling in fisheries management – what has been learnt?

    DEFF Research Database (Denmark)

    Röckmann, C.; Ulrich, Clara; Dreyer, M.

    2012-01-01

    How can uncertain fisheries science be linked with good governance processes, thereby increasing fisheries management legitimacy and effectiveness? Reducing the uncertainties around scientific models has long been perceived as the cure of the fisheries management problem. There is however...

  6. Fisheries economics and fisheries management

    DEFF Research Database (Denmark)

    Andersen, Peder

    2013-01-01

    Professor Rögnvaldur Hannesson's influence on the development and history of fisheries economics is unquestionable. Also, he has strongly pointed out the potential gains from a more active use of fisheries economics in fisheries management. In light of this, one may ask if fisheries economists have...... spent too much time on fundamentals in fisheries economics at the expense of the development of applicable models for fisheries managers? Of course, this question is relevant only IF fisheries economics and fisheries economists have a role to play in fisheries management....

  7. Linking effort and fishing mortality in a mixed fisheries model

    DEFF Research Database (Denmark)

    Thøgersen, Thomas Talund; Hoff, Ayoe; Frost, Hans Staby

    2012-01-01

    Since the implementation of the Common Fisheries Policy of the European Union in 1983, the management of EU fisheries has been enormously challenging. The abundance of many fish stocks has declined because too much fishing capacity has been utilised on healthy fish stocks. Today, this decline...... in fish stocks has led to overcapacity in many fisheries, leading to incentives for overfishing. Recent research has shown that the allocation of effort among fleets can play an important role in mitigating overfishing when the targeting covers a range of species (multi-species—i.e., so-called mixed...... fisheries), while simultaneously optimising the overall economic performance of the fleets. The so-called FcubEcon model, in particular, has elucidated both the biologically and economically optimal method for allocating catches—and thus effort—between fishing fleets, while ensuring that the quotas...

  8. A mathematical model of a fishery with variable market price: sustainable fishery/over-exploitation.

    Science.gov (United States)

    Mansal, Fulgence; Nguyen-Huu, Tri; Auger, Pierre; Balde, Moussa

    2014-09-01

    We present a mathematical bioeconomic model of a fishery with a variable price. The model describes the time evolution of the resource, the fishing effort and the price which is assumed to vary with respect to supply and demand. The supply is the instantaneous catch while the demand function is assumed to be a monotone decreasing function of price. We show that a generic market price equation (MPE) can be derived and has to be solved to calculate non trivial equilibria of the model. This MPE can have 1, 2 or 3 equilibria. We perform the analysis of local and global stability of equilibria. The MPE is extended to two cases: an age-structured fish population and a fishery with storage of the resource.

  9. 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 based on partial-equilibrium assumptions have limited predictive capabilities. Reburning models based on systematic reduction of a detailed chemical kinetic model offer a high accuracy but rely on input estimates of combustion intermediates, including free radicals. In the present work, an analytically...

  10. AN ECOSYSTEM MODEL OF FISHERIES AND NUTRIENT ENRICHMENT

    DEFF Research Database (Denmark)

    Nguyen, Thanh Viet; Vestergaard, Niels

    2009-01-01

      Economic models of fishery largely ignore the linkages to lower trophic levels. In particular, environmental data and other bottom-up information is widely disregarded. Nor are changes in physical environment (bottom-up) alongside both exogenous and endogenous environmental effects included...... in the general ecosystem models. The objectives of this paper are modeling the impacts of nutrient enrichment on fisheries; particularly the impacts on consumer stocks and the fisheries based on these stocks are presented. We consider an aquatic ecosystem with four components: producers (autotrophs), consumers...... (herbivores, carnivores), nonliving matter and pollution sources. The interactions between nutrients-producers, producers- consumers are assumed following the Holling type II functional response. Pollution sources cause excess nutrients which linked to increase primary productivity, hypoxia and anoxia...

  11. Using an Ecosystem Model to Evaluate Fisheries Management ...

    African Journals Online (AJOL)

    as valuable tools in the development of ecosystem-based fisheries management approaches (Pauly et al., 2000). These models are based on mathematical ... in the model. CAFFEE simulates the biomass dynamics of the functional groups by time- step computing the energy flows of metabolic and ecological processes in ...

  12. Using an ecosystem model to evaluate fisheries management ...

    African Journals Online (AJOL)

    A coral reef ecosystem simulation model, CAFFEE, was developedto evaluate the effects of fisheries management measures on coral reef ecosystem services and functioning, independently or combined with climate change impacts. As an example of the types of simulations available, we present model outputsfor ...

  13. Compartmental models for assessing the fishery production in the Indian Ocean

    Digital Repository Service at National Institute of Oceanography (India)

    Dalal, S.G.; Parulekar, A.H.

    Compartmental models for assessing the fishery production in the Indian Ocean is discussed. The article examines the theoretical basis on which modern fishery sciences is built. The model shows that, large changes in energy flux from one pathway...

  14. Modeling of climate change impacts on agriculture, forestry and fishery

    International Nuclear Information System (INIS)

    Bala, B.K.; Munnaf, M.A.

    2014-01-01

    Changes in climate affect agriculture, forest and fisheries. This paper examines the climate change impact on crop production, fishery and forestry using state - of - the - art modeling technique. Crop growth model InfoCrop was used to predict the climate change impacts on the yields of rice, wheat and maize in Bangladesh. Historical climate change scenario has little or no negative impacts on rice and wheat yields in Mymensingh and Dinajpur but IPCC climate change scenario has higher negative impacts. There is almost no change in the yields of maize for the historical climate change scenario in the Chittagong, Hill Tracts of but there is a small decrease in the yields of rice and maize for IPCC climate change scenario. A new statistical model to forecast climate change impacts on fishery in the world oceans has been developed. Total climate change impact on fishery in the Indian Ocean is negative and the predictor power is 94.14% for eastern part and 98.59% for the western part. Two models are presented for the mangrove forests of the Sundarbans. To bole volumes of the pioneer, intermediate and climax are simulated for three different logging strategies and the results have been discussed in this paper. (author)

  15. Modeling nitrogen chemistry in combustion

    DEFF Research Database (Denmark)

    Glarborg, Peter; Miller, James A.; Ruscic, Branko

    2018-01-01

    Understanding of the chemical processes that govern formation and destruction of nitrogen oxides (NOx) in combustion processes continues to be a challenge. Even though this area has been the subject of extensive research over the last four decades, there are still unresolved issues that may limit...... via NNH or N2O are discussed, along with the chemistry of NO removal processes such as reburning and Selective Non-Catalytic Reduction of NO. Each subset of the mechanism is evaluated against experimental data and the accuracy of modeling predictions is discussed....

  16. Frontiers in Atmospheric Chemistry Modelling

    Science.gov (United States)

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

    2013-04-01

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

  17. Modelling the chemistry of iodine

    International Nuclear Information System (INIS)

    Paquette, J.

    1989-01-01

    We have assembled a kinetic model, based on elementary chemical reactions, that describes the chemical behaviour of iodine in aqueous solution as a function of time and various parameters such as pH, concentration and radiation field. The model is conceptually divided into six section: aqueous iodine chemistry, aqueous organic iodide chemistry, water radiolysis, radiolysis of iodine solutions, radiolysis of organic iodide solutions and mass transfer. The model indicates that, in the absence of a radiation field, the rate of production of volatile iodine species is controlled by the rate of oxidation of the iodide ion. The volatile iodine species are dominated by organic iodides if organic impurities are present. The single most important parameter controlling iodine volatility is the pH of the solution; high pH values tend to minimize iodine volatility. In the presence of a radiation field, the volatility of iodine is controlled by the radiation-induced oxidation of the iodide ion. Again, iodine volatility is dominated by organic iodides if organic impurities are present. High pH values minimize iodine volatility. A sensitivity analysis has been performed on some sections of the model to identify reactions to which the volatility of iodine is most sensitive. In the absence of a radiation field, the volatility is most sensitive, first, to the rate of oxidation of the iodide ion, and, second, to the rate of mass transfer of volatile species between the aqueous and the gaseous phases. This approach should be useful in identifying reactions for which accurate rate constants are required and in decreasing the complexity of the model. 37 refs

  18. Can agent based models effectively reduce fisheries management implementation uncertainty?

    Science.gov (United States)

    Drexler, M.

    2016-02-01

    Uncertainty is an inherent feature of fisheries management. Implementation uncertainty remains a challenge to quantify often due to unintended responses of users to management interventions. This problem will continue to plague both single species and ecosystem based fisheries management advice unless the mechanisms driving these behaviors are properly understood. Equilibrium models, where each actor in the system is treated as uniform and predictable, are not well suited to forecast the unintended behaviors of individual fishers. Alternatively, agent based models (AMBs) can simulate the behaviors of each individual actor driven by differing incentives and constraints. This study evaluated the feasibility of using AMBs to capture macro scale behaviors of the US West Coast Groundfish fleet. Agent behavior was specified at the vessel level. Agents made daily fishing decisions using knowledge of their own cost structure, catch history, and the histories of catch and quota markets. By adding only a relatively small number of incentives, the model was able to reproduce highly realistic macro patterns of expected outcomes in response to management policies (catch restrictions, MPAs, ITQs) while preserving vessel heterogeneity. These simulations indicate that agent based modeling approaches hold much promise for simulating fisher behaviors and reducing implementation uncertainty. Additional processes affecting behavior, informed by surveys, are continually being added to the fisher behavior model. Further coupling of the fisher behavior model to a spatial ecosystem model will provide a fully integrated social, ecological, and economic model capable of performing management strategy evaluations to properly consider implementation uncertainty in fisheries management.

  19. Modelling of Sediment Transport in Beris Fishery Port

    Directory of Open Access Journals (Sweden)

    Samira Ardani

    2015-06-01

    Full Text Available In this paper, the large amount of sedimentation and the resultant shoreline advancements at the breakwaters of Beris Fishery Port are studied. A series of numerical modeling of waves, sediment transport, and shoreline changes were conducted to predict the complicated equilibrium shoreline. The outputs show that the nearshore directions of wave components are not perpendicular to the coast which reveals the existence of longshore currents and consequently sediment transport along the bay. Considering the dynamic equilibrium condition of the bay, the effect of the existing sediment resources in the studied area is also investigated. The study also shows that in spite of the change of the diffraction point of Beris Bay after the construction of the fishery port, the bay is approaching its dynamic equilibrium condition, and the shoreline advancement behind secondary breakwater will stop before blocking the entrance of the port. The probable solutions to overcome the sedimentation problem at the main breakwater are also discussed.

  20. Ocean modelling for aquaculture and fisheries in Irish waters

    Science.gov (United States)

    Dabrowski, T.; Lyons, K.; Cusack, C.; Casal, G.; Berry, A.; Nolan, G. D.

    2016-01-01

    The Marine Institute, Ireland, runs a suite of operational regional and coastal ocean models. Recent developments include several tailored products that focus on the key needs of the Irish aquaculture sector. In this article, an overview of the products and services derived from the models are presented. The authors give an overview of a shellfish model developed in-house and that was designed to predict the growth, the physiological interactions with the ecosystem, and the level of coliform contamination of the blue mussel. As such, this model is applicable in studies on the carrying capacity of embayments, assessment of the impacts of pollution on aquaculture grounds, and the determination of shellfish water classes. Further services include the assimilation of the model-predicted shelf water movement into a new harmful algal bloom alert system used to inform end users of potential toxic shellfish events and high biomass blooms that include fish-killing species. Models are also used to identify potential sites for offshore aquaculture, to inform studies of potential cross-contamination in farms from the dispersal of planktonic sea lice larvae and other pathogens that can infect finfish, and to provide modelled products that underpin the assessment and advisory services on the sustainable exploitation of the resources of marine fisheries. This paper demonstrates that ocean models can provide an invaluable contribution to the sustainable blue growth of aquaculture and fisheries.

  1. Containment Sodium Chemistry Models in MELCOR.

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-04-01

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

  2. Local stability of an open-access anchovy fishery model

    Directory of Open Access Journals (Sweden)

    M. N. Qureshi

    2015-03-01

    Full Text Available In this paper, we study the qualitative behavior of following open-access anchovy fishery model: xn+1=axnb-d α xvnyn, yn+1=yn(η(pαxvn-c+1, where a,b,c,d,v,p,α, η, and the initial conditions x0, y0 are positive real numbers. More precisely, we investigate the necessary and sufficient condition for local asymptotic stability of the unique positive equilibrium point of this system. Some numerical examples are given to verify our theoretical results.

  3. Review of State-Space Models for Fisheries Science

    DEFF Research Database (Denmark)

    Aeberhard, William H.; Flemming, Joanna Mills; Nielsen, Anders

    2018-01-01

    stocks will respond to varying levels of fishing pressure in the future. Such tools are essential with overfishing now reducing stocks and employment worldwide, with in turn many serious social, economic, and environmental implications. Increasingly, a state-space framework is being used in place...... of deterministic and standard parametric stock assessment models. These efforts have not only had considerable impact on fisheries management but have also advanced the supporting statistical theory and inference tools as well as the required software. An application of such techniques to the North Sea cod stock...

  4. Predictive Modeling in Actinide Chemistry and Catalysis

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Ping [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2016-05-16

    These are slides from a presentation on predictive modeling in actinide chemistry and catalysis. The following topics are covered in these slides: Structures, bonding, and reactivity (bonding can be quantified by optical probes and theory, and electronic structures and reaction mechanisms of actinide complexes); Magnetic resonance properties (transition metal catalysts with multi-nuclear centers, and NMR/EPR parameters); Moving to more complex systems (surface chemistry of nanomaterials, and interactions of ligands with nanoparticles); Path forward and conclusions.

  5. 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 result indicated…

  6. Modeling the atmospheric chemistry of TICs

    Science.gov (United States)

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

    2009-05-01

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

  7. Modeling the chemistries of technical molecular plasmas

    Science.gov (United States)

    Munro, James J.; Tennyson, Jonathan; Brown, Daniel B.; Varambhia, Hemal N.; Doss, Natasha

    2008-10-01

    Plasma chemistries, especially for molecular gases, are complicated. With a limited amount of molecular data available, it is hard to model these plasmas accurately; just a couple of feedstock gases can lead to a minimal model containing perhaps dozens of gas-phase species. The possible gas-phase and surface reactions that can occur could be in the tens of thousands; less than a hundred are typically used in chemistry models. Understanding the importance of various species and reactions to a chemical model is vital. Here we present the progress on constructing a package (Quantemol-P)[1] to simplify and automate the process of building and analyzing plasma chemistries e.g. SF6/O2, CF4/O2 and O2/He. [1] J.J. Munro, J. Tennyson, J. Vac. Sci. Tech. A, accepted

  8. Stratospheric General Circulation with Chemistry Model (SGCCM)

    Science.gov (United States)

    Rood, Richard B.; Douglass, Anne R.; Geller, Marvin A.; Kaye, Jack A.; Nielsen, J. Eric; Rosenfield, Joan E.; Stolarski, Richard S.

    1990-01-01

    In the past two years constituent transport and chemistry experiments have been performed using both simple single constituent models and more complex reservoir species models. Winds for these experiments have been taken from the data assimilation effort, Stratospheric Data Analysis System (STRATAN).

  9. Exploring optimal fishing scenarios for the multispecies artisanal fisheries of Eritrea using a trophic model

    NARCIS (Netherlands)

    Tsehaye, I.W.; Nagelkerke, L.A.J.

    2008-01-01

    This study represents the first attempt to assess the potential for fisheries in the artisanal Red Sea reef fisheries of Eritrea in an ecosystem context. We used an Ecopath with Ecosim model to integrate known aspects of the ecosystem and its inhabitants into a single framework, with the aim to gain

  10. Use of Coupled Eutrophication and Network Models for Examination of Fisheries and Eutrophication Processes

    National Research Council Canada - National Science Library

    Cerco, Carl F; Tillman, Dorothy H

    2008-01-01

    ...) was designed to be a flexible, widely applicable eutrophication model. Ecopath with Ecosim (EWE) is a freely distributed network model supported by the Fisheries Centre, University of British Columbia...

  11. 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.

  12. Ecosystem-based fishery management: a critical review of concepts and ecological economic models

    DEFF Research Database (Denmark)

    Nguyen, Thanh Viet

      An ecosystem approach means different things to different people. As a result the concept of ecosystem-based fishery management is evolving and it has no universal definition or consistent application. As regards ecosystem modeling, most economic models of fishery ignore the linkages to lower...... trophic levels. In particular, environmental data and other bottom-up information is widely disregarded. The objective of this paper is to provide a critical review of concepts and ecological economic models relating to ecosystem-based fishery management....

  13. Chemistry models in the Victoria code

    International Nuclear Information System (INIS)

    Grimley, A.J. III

    1988-01-01

    The VICTORIA Computer code consists of the fission product release and chemistry models for the MELPROG severe accident analysis code. The chemistry models in VICTORIA are used to treat multi-phase interactions in four separate physical regions: fuel grains, gap/open porosity/clad, coolant/aerosols, and structure surfaces. The physical and chemical environment of each region is very different from the others and different models are required for each. The common thread in the modelling is the use of a chemical equilibrium assumption. The validity of this assumption along with a description of the various physical constraints applicable to each region will be discussed. The models that result from the assumptions and constraints will be presented along with samples of calculations in each region

  14. Modeling technical efficiency of inshore fishery using data envelopment analysis

    Science.gov (United States)

    Rahman, Rahayu; Zahid, Zalina; Khairi, Siti Shaliza Mohd; Hussin, Siti Aida Sheikh

    2016-10-01

    Fishery industry contributes significantly to the economy of Malaysia. This study utilized Data Envelopment Analysis application in estimating the technical efficiency of fishery in Terengganu, a state on the eastern coast of Peninsular Malaysia, based on multiple output, i.e. total fish landing and income of fishermen with six inputs, i.e. engine power, vessel size, number of trips, number of workers, cost and operation distance. The data were collected by survey conducted between November and December 2014. The decision making units (DMUs) involved 100 fishermen from 10 fishery areas. The result showed that the technical efficiency in Season I (dry season) and Season II (rainy season) were 90.2% and 66.7% respectively. About 27% of the fishermen were rated to be efficient during Season I, meanwhile only 13% of the fishermen achieved full efficiency 100% during Season II. The results also found out that there was a significance difference in the efficiency performance between the fishery areas.

  15. Modeling chemistry in PWR fuel crud

    International Nuclear Information System (INIS)

    PWR fuel crud arises from deposition of corrosion products in the coolant on clad surfaces in the core. These deposits form a porous layer through which water must pass to provide effective heat transfer from the clad surface. The usual heat transfer mechanism is by wick boiling in which water passing through the porous crud is converted to steam that escapes through steam chimneys in the deposit. This conversion of water into steam within the deposit means that dilute solutions in the bulk coolant become concentrated in the crud and this can lead to precipitation of species such as lithium borates, ZnO and Zn-silicates. Such precipitation processes may lead to problems such as crud induced power shifts (CIPS), formally known as axial off-set anomaly (AOA), or crud induced localised corrosion (CILC) of the clad, that has led to cladding failures. These precipitation processes also hinder heat transfer and can lead to hot spots on the clad surfaces that are potentially damaging. Questions such as what should be the plant limits on Zn, Si, B and Li to prevent such problems, and how should these be controlled during the cycle, are not easy to answer. With several new designs of PWR proposing high power density cores and therefore greater subcooled nucleate boiling, and with existing plants still up-rating their cores, these questions are likely to become more important in the future. It is therefore important to understand the relationship between coolant chemistry (Zn, Si, Li, B levels) and the chemistry within fuel crud. The bulk and crud chemistry are coupled along with the bulk and local heat transfer processes. This coupling of chemistry and heat transfer makes this a particularly difficult problem to investigate theoretically although the authors have previously achieved this using a number of one dimensional heat and mass transfer models. This paper discusses a new approach to this problem using finite element methods to solve the relevant coupled chemistry and

  16. Ecosystem-based fishery management: A critical review of concepts and ecological economic models

    OpenAIRE

    Nguyen, Thanh Viet

    2009-01-01

    An ecosystem approach means different things to different people. As a result the concept of ecosystem-based fishery management is evolving and it has no universal definition or consistent application. As regards ecosystem modeling, most economic models of fishery ignore the linkages to lower trophic levels. In particular, environmental data and other bottom-up information is widely disregarded. The objective of this paper is to provide a critical review of concepts and ecological economic mo...

  17. Competition for marine space: modelling the Baltic Sea fisheries and effort displacement under spatial restrictions

    DEFF Research Database (Denmark)

    Bastardie, Francois; Nielsen, J. Rasmus; Eigaard, Ole Ritzau

    2015-01-01

    to fishery and from vessel to vessel. The impact assessment of new spatial plans involving fisheries should be based on quantitative bioeconomic analyses that take into account individual vessel decisions, and trade-offs in cross-sector conflicting interests.Weuse a vessel-oriented decision-support tool (the...... DISPLACE model) to combine stochastic variations in spatial fishing activities with harvested resource dynamics in scenario projections. The assessment computes economic and stock status indicators by modelling the activity of Danish, Swedish, and German vessels (.12 m) in the international western Baltic...... Sea commercial fishery, together with the underlying size-based distribution dynamics of the main fishery resources of sprat, herring, and cod. The outcomes of alternative scenarios for spatial effort displacement are exemplified by evaluating the fishers’s abilities to adapt to spatial plans under...

  18. FLBEIA : A simulation model to conduct Bio-Economic evaluation of fisheries management strategies

    Directory of Open Access Journals (Sweden)

    Dorleta Garcia

    2017-01-01

    Here, we present FLBEIA, a flexible software to conduct bio-economic evaluation of fisheries management strategies. The model is multi-stock, multi-fleet, stochastic and seasonal. The fishery system is described as a sum of processes, which are internally assembled in a predetermined way. There are several functions available to describe the dynamic of each process and new functions can be added to satisfy specific requirements.

  19. Exports and economic growth in Indonesia's fishery sub-sector: Cointegration and error-correction models

    OpenAIRE

    Sjarif, Indra Nurcahyo; 小谷, 浩示; Lin, Ching-Yang

    2011-01-01

    This paper investigates the causal relationship between fishery's exports and its economic growth in Indonesia by utilizing cointegration and error-correction models. Using annual data from 1969 to 2005, we find the evidence that there exist the long-run relationship as well as bi-directional causality between exports and economic growth in Indonesia's fishery sub-sector. To the best of our knowledge, this is the first research that examine this issue focusing on a natural resource based indu...

  20. Teaching Chemistry with Electron Density Models

    Science.gov (United States)

    Shusterman, Gwendolyn P.; Shusterman, Alan J.

    1997-07-01

    Linus Pauling once said that a topic must satisfy two criteria before it can be taught to students. First, students must be able to assimilate the topic within a reasonable amount of time. Second, the topic must be relevant to the educational needs and interests of the students. Unfortunately, the standard general chemistry textbook presentation of "electronic structure theory", set as it is in the language of molecular orbitals, has a difficult time satisfying either criterion. Many of the quantum mechanical aspects of molecular orbitals are too difficult for most beginning students to appreciate, much less master, and the few applications that are presented in the typical textbook are too limited in scope to excite much student interest. This article describes a powerful new method for teaching students about electronic structure and its relevance to chemical phenomena. This method, which we have developed and used for several years in general chemistry (G.P.S.) and organic chemistry (A.J.S.) courses, relies on computer-generated three-dimensional models of electron density distributions, and largely satisfies Pauling's two criteria. Students find electron density models easy to understand and use, and because these models are easily applied to a broad range of topics, they successfully convey to students the importance of electronic structure. In addition, when students finally learn about orbital concepts they are better prepared because they already have a well-developed three-dimensional picture of electronic structure to fall back on. We note in this regard that the types of models we use have found widespread, rigorous application in chemical research (1, 2), so students who understand and use electron density models do not need to "unlearn" anything before progressing to more advanced theories.

  1. Can a 'state of the art' chemistry transport model really simulate Anazonian tropospheric chemistry

    NARCIS (Netherlands)

    Barkley, M.; Palmer, P.I.; Ganzeveld, L.N.

    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

  2. Modelling neutral and plasma chemistry with DSMC

    International Nuclear Information System (INIS)

    Bartel, Timothy J.

    2003-01-01

    The Direct Simulation Monte Carlo (DSMC) method is a powerful method for modelling chemically reacting flows. It is a statistical method which simulates the Boltzmann equation by interacting computational particles which represent a large number of a single species type. A statistical problem will occur when trace concentrations are required to be accurately modelled; the traditional strategy is to use more computational particles per cell or simply obtain lower statistics and thus have higher uncertainty for the trace concentrations. A new method, cell based chemistry (CBC), based on an integral balancing concept, allows all chemistry, including trace reactions, to be efficiently modelled in the framework of DSMC. This strategy first separates the collision phase from the reacting phase. Then a strategy is presented which conserves both the collision and reaction frequencies in a consistent manner. The illustrative problem is a chemically reacting glow discharge plasma; the ion concentrations typically are at a 0.1% mole fraction but dominant the physical mechanism of the system. Comparisons will be made to a chlorine plasma in a Gaseous Electronics Conference (GEC) reference cell with an inductive coil at approximately 20 mtorr system pressure

  3. A welfare study into capture fisheries in cirata reservoir: a bio-economic model

    Science.gov (United States)

    Anna, Z.; Hindayani, P.

    2018-04-01

    Capture fishery in inland such as reservoirs can be a source of food security and even the economy and public welfare of the surrounding community. This research was conducted on Cirata reservoir fishery in West Java, to see how far reservoir capture fishery can contribute economically in the form of resource rents. The method used is the bioeconomic model Copes, which can analyze the demand and supply functions to calculate the optimization of stakeholders’ welfare in various management regimes. The results showed that the management of capture fishery using Maximum Economic Yield regime (MEY) gave the most efficient result, where fewer inputs would produce maximum profit. In the MEY management, the producer surplus obtained is IDR 2,610.203.099, - per quarter and IDR 273.885.400,- of consumer surplus per quarter. Furthermore, researches showed that sustainable management regime policy MEY result in the government rent/surplus ofIDR 217.891,345, - per quarter with the average price of fish per kg being IDR 13.929. In open access fishery, it was shown that the producer surplus becomesIDR 0. Thus the implementation of the MEY-based instrument policy becomes a necessity for Cirata reservoir capture fishery.

  4. Evaluation of the new EMAC-SWIFT chemistry climate model

    Science.gov (United States)

    Scheffler, Janice; Langematz, Ulrike; Wohltmann, Ingo; Rex, Markus

    2016-04-01

    It is well known that the representation of atmospheric ozone chemistry in weather and climate models is essential for a realistic simulation of the atmospheric state. Including atmospheric ozone chemistry into climate simulations is usually done by prescribing a climatological ozone field, by including a fast linear ozone scheme into the model or by using a climate model with complex interactive chemistry. While prescribed climatological ozone fields are often not aligned with the modelled dynamics, a linear ozone scheme may not be applicable for a wide range of climatological conditions. Although interactive chemistry provides a realistic representation of atmospheric chemistry such model simulations are computationally very expensive and hence not suitable for ensemble simulations or simulations with multiple climate change scenarios. A new approach to represent atmospheric chemistry in climate models which can cope with non-linearities in ozone chemistry and is applicable to a wide range of climatic states is the Semi-empirical Weighted Iterative Fit Technique (SWIFT) that is driven by reanalysis data and has been validated against observational satellite data and runs of a full Chemistry and Transport Model. SWIFT has recently been implemented into the ECHAM/MESSy (EMAC) chemistry climate model that uses a modular approach to climate modelling where individual model components can be switched on and off. Here, we show first results of EMAC-SWIFT simulations and validate these against EMAC simulations using the complex interactive chemistry scheme MECCA, and against observations.

  5. Halogen Chemistry in the CMAQ Model

    Science.gov (United States)

    Halogens (iodine and bromine) emitted from oceans alter atmospheric chemistry and influence atmospheric ozone mixing ratio. We previously incorporated a representation of detailed halogen chemistry and emissions of organic and inorganic halogen species into the hemispheric Commun...

  6. An Integrated Assessment Model for Helping the United States Sea Scallop (Placopecten magellanicus) Fishery Plan Ahead for Ocean Acidification and Warming.

    Science.gov (United States)

    Cooley, Sarah R; Rheuban, Jennie E; Hart, Deborah R; Luu, Victoria; Glover, David M; Hare, Jonathan A; Doney, Scott C

    2015-01-01

    Ocean acidification, the progressive change in ocean chemistry caused by uptake of atmospheric CO2, is likely to affect some marine resources negatively, including shellfish. The Atlantic sea scallop (Placopecten magellanicus) supports one of the most economically important single-species commercial fisheries in the United States. Careful management appears to be the most powerful short-term factor affecting scallop populations, but in the coming decades scallops will be increasingly influenced by global environmental changes such as ocean warming and ocean acidification. In this paper, we describe an integrated assessment model (IAM) that numerically simulates oceanographic, population dynamic, and socioeconomic relationships for the U.S. commercial sea scallop fishery. Our primary goal is to enrich resource management deliberations by offering both short- and long-term insight into the system and generating detailed policy-relevant information about the relative effects of ocean acidification, temperature rise, fishing pressure, and socioeconomic factors on the fishery using a simplified model system. Starting with relationships and data used now for sea scallop fishery management, the model adds socioeconomic decision making based on static economic theory and includes ocean biogeochemical change resulting from CO2 emissions. The model skillfully reproduces scallop population dynamics, market dynamics, and seawater carbonate chemistry since 2000. It indicates sea scallop harvests could decline substantially by 2050 under RCP 8.5 CO2 emissions and current harvest rules, assuming that ocean acidification affects P. magellanicus by decreasing recruitment and slowing growth, and that ocean warming increases growth. Future work will explore different economic and management scenarios and test how potential impacts of ocean acidification on other scallop biological parameters may influence the social-ecological system. Future empirical work on the effect of ocean

  7. Fishery landing forecasting using EMD-based least square support vector machine models

    Science.gov (United States)

    Shabri, Ani

    2015-05-01

    In this paper, the novel hybrid ensemble learning paradigm integrating ensemble empirical mode decomposition (EMD) and least square support machine (LSSVM) is proposed to improve the accuracy of fishery landing forecasting. This hybrid is formulated specifically to address in modeling fishery landing, which has high nonlinear, non-stationary and seasonality time series which can hardly be properly modelled and accurately forecasted by traditional statistical models. In the hybrid model, EMD is used to decompose original data into a finite and often small number of sub-series. The each sub-series is modeled and forecasted by a LSSVM model. Finally the forecast of fishery landing is obtained by aggregating all forecasting results of sub-series. To assess the effectiveness and predictability of EMD-LSSVM, monthly fishery landing record data from East Johor of Peninsular Malaysia, have been used as a case study. The result shows that proposed model yield better forecasts than Autoregressive Integrated Moving Average (ARIMA), LSSVM and EMD-ARIMA models on several criteria..

  8. 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.

  9. Reservoir fisheries of Asia

    International Nuclear Information System (INIS)

    Silva, S.S. De.

    1990-01-01

    At a workshop on reservoir fisheries research, papers were presented on the limnology of reservoirs, the changes that follow impoundment, fisheries management and modelling, and fish culture techniques. Separate abstracts have been prepared for three papers from this workshop

  10. Prospective Chemistry Teachers' Mental Models of Vapor Pressure

    Science.gov (United States)

    Tumay, Halil

    2014-01-01

    The main purpose of this study was to identify prospective chemistry teachers' mental models of vapor pressure. The study involved 85 students in the Chemistry Teacher Training Department of a state university in Turkey. Participants' mental models of vapor pressure were explored using a concept test that involved qualitative comparison tasks.…

  11. Identification of Chemistry Learning Problems Viewed From Conceptual Change Model

    OpenAIRE

    Redhana, I. W; Sudria, I. B. N; Hidayat, I; Merta, L. M

    2017-01-01

    This study aimed at describing and explaining chemistry learning problems viewed from conceptual change model and misconceptions of students. The study was qualitative research of case study type conducted in one class of SMAN 1 Singaraja. Subjects of the study were a chemistry teacher and students. Data were obtained through classroom observation, interviews, and conception tests. The chemistry learning problems were grouped based on aspects of necessity, intelligibility, plausibility, and f...

  12. Coupled Atmospheric Chemistry Schemes for Modeling Regional and Global Atmospheric Chemistry

    Science.gov (United States)

    Saunders, E.; Stockwell, W. R.

    2016-12-01

    Atmospheric chemistry models require chemical reaction mechanisms to simulate the production of air pollution. GACM (Global Atmospheric Chemistry Mechanism) is intended for use in global scale atmospheric chemistry models to provide chemical boundary conditions for regional scale simulations by models such as CMAQ. GACM includes additional chemistry for marine environments while reducing its treatment of the chemistry needed for highly polluted urban regions. This keeps GACM's size small enough to allow it to be used efficiently in global models. GACM's chemistry of volatile organic compounds (VOC) is highly compatible with the VOC chemistry in RACM2 allowing a global model with GACM to provide VOC boundary conditions to a regional scale model with RACM2 with reduced error. The GACM-RACM2 system of mechanisms should yield more accurate forecasts by regional air quality models such as CMAQ. Chemical box models coupled with the regional and global atmospheric chemistry mechanisms (RACM2 & GACM) will be used to make simulations of tropospheric ozone, nitric oxides, and volatile organic compounds that are produced in regional and global domains. The simulations will focus on the Los Angeles' South Coast Air Basin (SoCAB) where the Pacific Ocean meets a highly polluted urban area. These two mechanisms will be compared on the basis of simulated ozone concentrations over this marine-urban region. Simulations made with the more established RACM2 will be compared with simulations made with the newer GACM. In addition WRF-Chem will be used to simulate how RACM2 will produce regional simulations of tropospheric ozone and NOx, which can be further, analyzed for air quality impacts. Both the regional and global model in WRF-Chem will be used to predict how the concentrations of ozone and nitrogen oxides change over land and ocean. The air quality model simulation results will be applied to EPA's BenMAP-CE (Environmental Benefits Mapping & Analysis Program-Community Edition

  13. Risks of ocean acidification in the California Current food web and fisheries: ecosystem model projections.

    Science.gov (United States)

    Marshall, Kristin N; Kaplan, Isaac C; Hodgson, Emma E; Hermann, Albert; Busch, D Shallin; McElhany, Paul; Essington, Timothy E; Harvey, Chris J; Fulton, Elizabeth A

    2017-04-01

    The benefits and ecosystem services that humans derive from the oceans are threatened by numerous global change stressors, one of which is ocean acidification. Here, we describe the effects of ocean acidification on an upwelling system that already experiences inherently low pH conditions, the California Current. We used an end-to-end ecosystem model (Atlantis), forced by downscaled global climate models and informed by a meta-analysis of the pH sensitivities of local taxa, to investigate the direct and indirect effects of future pH on biomass and fisheries revenues. Our model projects a 0.2-unit drop in pH during the summer upwelling season from 2013 to 2063, which results in wide-ranging magnitudes of effects across guilds and functional groups. The most dramatic direct effects of future pH may be expected on epibenthic invertebrates (crabs, shrimps, benthic grazers, benthic detritivores, bivalves), and strong indirect effects expected on some demersal fish, sharks, and epibenthic invertebrates (Dungeness crab) because they consume species known to be sensitive to changing pH. The model's pelagic community, including marine mammals and seabirds, was much less influenced by future pH. Some functional groups were less affected to changing pH in the model than might be expected from experimental studies in the empirical literature due to high population productivity (e.g., copepods, pteropods). Model results suggest strong effects of reduced pH on nearshore state-managed invertebrate fisheries, but modest effects on the groundfish fishery because individual groundfish species exhibited diverse responses to changing pH. Our results provide a set of projections that generally support and build upon previous findings and set the stage for hypotheses to guide future modeling and experimental analysis on the effects of OA on marine ecosystems and fisheries. © 2017 John Wiley & Sons Ltd.

  14. Chemistry education based on concepts represented by mental models

    OpenAIRE

    Gibin, Gustavo Bizarria; Ferreira, Luiz Henrique

    2010-01-01

    The current legislation determines that the chemist must have a solid comprehension about chemical concepts. Literature presents the concept of mental model, which is determinant to the learning of phenomena and concepts. This paper presents some mental models that students of the Chemistry course at UFSCar have about chemical concepts. A lot of incoherence was observed in student's mental models, which is an evidence that there are problems in the learning of chemistry education.

  15. An individual-based probabilistic model for simulating fisheries population dynamics

    Directory of Open Access Journals (Sweden)

    Jie Cao

    2016-12-01

    Full Text Available The purpose of stock assessment is to support managers to provide intelligent decisions regarding removal from fish populations. Errors in assessment models may have devastating impacts on the population fitness and negative impacts on the economy of the resource users. Thus, accuracte estimations of population size, growth rates are critical for success. Evaluating and testing the behavior and performance of stock assessment models and assessing the consequences of model mis-specification and the impact of management strategies requires an operating model that accurately describe the dynamics of the target species, and can resolve spatial and seasonal changes. In addition, the most thorough evaluations of assessment models use an operating model that takes a different form than the assessment model. This paper presents an individual-based probabilistic model used to simulate the complex dynamics of populations and their associated fisheries. Various components of population dynamics are expressed as random Bernoulli trials in the model and detailed life and fishery histories of each individual are tracked over their life span. The simulation model is designed to be flexible so it can be used for different species and fisheries. It can simulate mixing among multiple stocks and link stock-recruit relationships to environmental factors. Furthermore, the model allows for flexibility in sub-models (e.g., growth and recruitment and model assumptions (e.g., age- or size-dependent selectivity. This model enables the user to conduct various simulation studies, including testing the performance of assessment models under different assumptions, assessing the impacts of model mis-specification and evaluating management strategies.

  16. Instructional Model and Thinking Skill in Chemistry Class

    Science.gov (United States)

    Langkudi, H. H.

    2018-02-01

    Chemistry course are considered a difficult lesson for students as evidenced by low learning outcomes on daily tests, mid-semester tests as well as final semester tests. This research intended to investigate the effect of instructional model, thinking skill and the interaction of these variables on students’ achievement in chemistry. Experimental method was applying used 2 x 2 factorial design. The results showed that the use of instructional model with thinking skill influences student’s learning outcomes, so that the chemistry teacher is recommended to pay attention to the learning model, and adjusted to the student’s skill thinking on the chemistry material being taught. The conclusion of this research is that discovery model is suitable for students who have formal thinking skill and conventional model is fit for the students that have concrete thinking skill.

  17. Thole's interacting polarizability model in computational chemistry practice

    NARCIS (Netherlands)

    deVries, AH; vanDuijnen, PT; Zijlstra, RWJ; Swart, M

    Thole's interacting polarizability model to calculate molecular polarizabilities from interacting atomic polarizabilities is reviewed and its major applications in computational chemistry are illustrated. The applications include prediction of molecular polarizabilities, use in classical expressions

  18. 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.

  19. Estimation of Import Demand for Fishery Products in the U.S. Using the Source-Differentiated AIDS Model

    OpenAIRE

    Wang, Xiaojin; Reed, Michael

    2013-01-01

    Fishery product imports by the U.S. have been gradually increasing in recent years. The leading exporting countries include Canada, Chile, China, Ecuador, Indonesia, Thailand, and Vietnam. A source-differentiated Almost Ideal Demand System (AIDS) model and its Error Correction Model (ECM) version are employed to investigate the static and dynamic U.S. import demand for fishery products from the top seven countries using monthly data from January 1999 to September 2012. Long-run and short-run ...

  20. Marine Biogeochemistry Under The Influence of Fish And Fisheries: An Ecosystem Modeling Study

    Science.gov (United States)

    Disa, Deniz; Akoglu, Ekin; Salihoglu, Baris

    2017-04-01

    The ocean and the marine ecosystems are important controllers of the global carbon cycle. They play a pivotal role in capturing atmospheric carbon into the ocean body, transforming it into organic carbon through photosynthesis and transporting it to the depths of the ocean. Fish, which has a significant role in the marine food webs, is thought to have a considerable impact on carbon export. More specifically, fish has a control on plankton dynamics as a predator, it provides nutrient to the ecosystem by its metabolic activities and it has the ability of moving actively and transporting materials. Fishing is also expected to impact carbon cycle because it directly changes the fish biomasses. However, how fish impacts the biogeochemistry of marine ecosystems is not studied extensively. The aim of this study is to analyze the impact of fish and fisheries on marine biogeochemical processes by setting up an end-to-end model, which simulates lower and higher tropic levels of marine ecosystems simultaneously. For this purpose, a one dimensional biogeochemical model simulating lower tropic level dynamics (e.g. carbon export, nutrient cycles) and an food web model simulating fisheries exploitation and higher tropic level dynamics were online and two-way coupled. Representing the marine ecosystem from one end to the other, the coupled model served as a tool for the analysis of fishing impacts on marine biogeochemical dynamics. Results obtained after incorporation of higher trophic level model changed the plankton compositions and enhanced detritus pools and increased carbon export. Additionally, our model showed that active movement of fish contributed to transport of carbon from surface to the deeper parts of the ocean. Moreover, results after applying different fishing intensities indicated that changes in fisheries exploitation levels directly influence the marine nutrient cycles and hence, the carbon export. Depending on the target and the intensity of fisheries

  1. Modeling emissions for three-dimensional atmospheric chemistry transport models.

    Science.gov (United States)

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

    2018-01-24

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

  2. Modelling predation by transient leopard seals for an ecosystem-based management of Southern Ocean fisheries

    Science.gov (United States)

    Forcada, J.; Royle, J. Andrew; Staniland, I.J.

    2009-01-01

    Correctly quantifying the impacts of rare apex marine predators is essential to ecosystem-based approaches to fisheries management, where harvesting must be sustainable for targeted species and their dependent predators. This requires modelling the uncertainty in such processes as predator life history, seasonal abundance and movement, size-based predation, energetic requirements, and prey vulnerability. We combined these uncertainties to evaluate the predatory impact of transient leopard seals on a community of mesopredators (seals and penguins) and their prey at South Georgia, and assess the implications for an ecosystem-based management. The mesopredators are highly dependent on Antarctic krill and icefish, which are targeted by regional fisheries. We used a state-space formulation to combine (1) a mark-recapture open-population model and individual identification data to assess seasonally variable leopard seal arrival and departure dates, numbers, and residency times; (2) a size-based bioenergetic model; and (3) a size-based prey choice model from a diet analysis. Our models indicated that prey choice and consumption reflected seasonal changes in leopard seal population size and structure, size-selective predation and prey vulnerability. A population of 104 (90?125) leopard seals, of which 64% were juveniles, consumed less than 2% of the Antarctic fur seal pup production of the area (50% of total ingested energy, IE), but ca. 12?16% of the local gentoo penguin population (20% IE). Antarctic krill (28% IE) were the only observed food of leopard seal pups and supplemented the diet of older individuals. Direct impacts on krill and fish were negligible, but the ?escapement? due to leopard seal predation on fur seal pups and penguins could be significant for the mackerel icefish fishery at South Georgia. These results suggest that: (1) rare apex predators like leopard seals may control, and may depend on, populations of mesopredators dependent on prey species

  3. Involving stakeholders in building integrated fisheries models using Bayesian methods

    DEFF Research Database (Denmark)

    Haapasaari, Päivi Elisabet; Mäntyniemi, Samu; Kuikka, Sakari

    2013-01-01

    the potential of the study to contribute to the development of participatory modeling practices. It is concluded that the subjective perspective to knowledge, that is fundamental in Bayesian theory, suits participatory modeling better than a positivist paradigm that seeks the objective truth. The methodology...

  4. Evaluating the suitability of coupled biophysical models for fishery management

    NARCIS (Netherlands)

    Hinrichsen, H.H.; Dickey-Collas, M.; Huret, M.; Peck, M.A.

    2011-01-01

    The potential role of coupled biophysical models in enhancing the conservation, management, and recovery of fish stocks is assessed, with emphasis on anchovy, cod, herring, and sprat in European waters. The assessment indicates that coupled biophysical models are currently capable of simulating

  5. Chemistry

    International Nuclear Information System (INIS)

    Gomez G, H.

    1989-01-01

    A brief description about the development and activities executed in chemistry, in the Instituto de Asuntos Nucleares, during the last years is presented. The plans and feasibility of nuclear techniques in Colombia are also described

  6. Involving stakeholders in building integrated fisheries models using Bayesian methods

    DEFF Research Database (Denmark)

    Haapasaari, Päivi Elisabet; Mäntyniemi, Samu; Kuikka, Sakari

    2013-01-01

    A participatory Bayesian approach was used to investigate how the views of stakeholders could be utilized to develop models to help understand the Central Baltic herring fishery. In task one, we applied the Bayesian belief network methodology to elicit the causal assumptions of six stakeholders...... on factors that influence natural mortality, growth, and egg survival of the herring stock in probabilistic terms. We also integrated the expressed views into a meta-model using the Bayesian model averaging (BMA) method. In task two, we used influence diagrams to study qualitatively how the stakeholders frame...... the potential of the study to contribute to the development of participatory modeling practices. It is concluded that the subjective perspective to knowledge, that is fundamental in Bayesian theory, suits participatory modeling better than a positivist paradigm that seeks the objective truth. The methodology...

  7. Modelling the effects of climate change, species interactions and fisheries – towards Ecosystem-based Fisheries Management in the Central Baltic Sea

    DEFF Research Database (Denmark)

    Lindegren, Martin

    the response of Baltic fish stocks to climate change and take appropriate management actions to mitigate negative effects on future fisheries production. Furthermore, by presenting the ecological need and economic advantage of our ecosystem-based approach we may establish the institutional and political...... aim of this thesis is to develop a decision-support tool fit for achieving EBFM in the Central Baltic Sea, an ecosystem heavily impacted by overfishing and climate change. To that end, a theoretical approach for modelling multispecies population dynamics was combined with advanced statistical methods......Marine ecosystem and the services which they supply are under threat from a wide range of human activities. In order to achieve sustainability, an ecosystem-based approach to fisheries management (EBFM), i.e., integrating multiple drivers in a common framework is therefore needed. The overarching...

  8. Chemistry-Climate Interactions in the GISS GCM. Part 1; Tropospheric Chemistry Model Description and Evaluation

    Science.gov (United States)

    Shindell, Drew T.; Grenfell, J. Lee; Rind, David; Price, Colin; Grewe, Volker; Hansen, James E. (Technical Monitor)

    2001-01-01

    A tropospheric chemistry module has been developed for use within the Goddard Institute for Space Studies (GISS) general circulation model (GCM) to study interactions between chemistry and climate change. The model uses a simplified chemistry scheme based on CO-NOx-CH4 chemistry, and also includes a parameterization for emissions of isoprene, the most important non-methane hydrocarbon. The model reproduces present day annual cycles and mean distributions of key trace gases fairly well, based on extensive comparisons with available observations. Examining the simulated change between present day and pre-industrial conditions, we find that the model has a similar response to that seen in other simulations. It shows a 45% increase in the global tropospheric ozone burden, within the 25% - 57% range seen in other studies. Annual average zonal mean ozone increases by more than 125% at Northern Hemisphere middle latitudes near the surface. Comparison of model runs that allow the calculated ozone to interact with the GCM's radiation and meteorology with those that do not shows only minor differences for ozone. The common usage of ozone fields that are not calculated interactively seems to be adequate to simulate both the present day and the pre-industrial ozone distributions. However, use of coupled chemistry does alter the change in tropospheric oxidation capacity, enlarging the overall decrease in OH concentrations from the pre-industrial to the present by about 10% (-5.3% global annual average in uncoupled mode, -5.9% in coupled mode). This indicates that there may be systematic biases in the simulation of the pre-industrial to present day decrease in the oxidation capacity of the troposphere (though a 10% difference is well within the total uncertainty). Global annual average radiative forcing from pre-industrial to present day ozone change is 0.32 W/sq m. The forcing seems to be increased by about 10% when the chemistry is coupled to the GCM. Forcing values greater

  9. Assessing the Impact of Policy Changes in the Icelandic Cod Fishery Using a Hybrid Simulation Model

    Directory of Open Access Journals (Sweden)

    Sigríður Sigurðardóttir

    2014-01-01

    Full Text Available Most of the Icelandic cod is caught in bottom trawlers or longliners. These two fishing methods are fundamentally different and have different economic, environmental, and even social effects. In this paper we present a hybrid-simulation framework to assess the impact of changing the ratio between cod quota allocated to vessels with longlines and vessels with bottom trawls. It makes use of conventional bioeconomic models and discrete event modelling and provides a framework for simulating life cycle assessment (LCA for a cod fishery. The model consists of two submodels, a system dynamics model describing the biological aspect of the fishery and a discrete event model for fishing activities. The model was run multiple times for different quota allocation scenarios and results are presented where different scenarios are presented in the three dimensions of sustainability: environmental, social, and economic. The optimal allocation strategy depends on weighing the three different factors. The results were encouraging first-steps towards a useful modelling method but the study would benefit greatly from better data on fishing activities.

  10. Modelling future improvements in the St. Louis River fishery ...

    Science.gov (United States)

    The presence of fish consumption advisories has a negative impact on fishing. In the St. Louis River, an important natural resource management goal is to reduce or eliminate fish consumption advisories by remediating contaminant sediments and improving aquatic habitat. However, we currently lack sufficient understanding to estimate the cumulative effects of these habitat improvements on fish contaminant burdens. To address this gap, our study had two main research objectives: first, to determine the relationship between game fish habitat use and polychlorinated biphenyls (PCBs) concentrations in the lower St. Louis River, and two, to calibrate and validate a habitat-based Biota-Sediment Accumulation Factor (BSAF) model that estimates fish PCBs concentration as a function of both sediment and habitat quality. We sampled two resident fishes, Yellow Perch (Perca flavescens) and Black Crappie (Pomoxis nigromaculatus), and two migratory fishes, Northern Pike (Esox lucius) and Walleye (Sander vitreus) of varying size and from locations spread across the St. Louis River estuary, the largest coastal wetland complex in Lake Superior. We found differences in contaminant concentration that were related to habitat usage, though results varied by species. For migratory fishes, increasing diet from Lake Superior was associated with decreasing PCBs concentration in tissue. For resident fishes, PCBs concentration was highest in the industrial portion of the river. Model calibra

  11. Formulation, General Features and Global Calibration of a Bioenergetically-Constrained Fishery Model.

    Science.gov (United States)

    Carozza, David A; Bianchi, Daniele; Galbraith, Eric D

    2017-01-01

    Human exploitation of marine resources is profoundly altering marine ecosystems, while climate change is expected to further impact commercially-harvested fish and other species. Although the global fishery is a highly complex system with many unpredictable aspects, the bioenergetic limits on fish production and the response of fishing effort to profit are both relatively tractable, and are sure to play important roles. Here we describe a generalized, coupled biological-economic model of the global marine fishery that represents both of these aspects in a unified framework, the BiOeconomic mArine Trophic Size-spectrum (BOATS) model. BOATS predicts fish production according to size spectra as a function of net primary production and temperature, and dynamically determines harvest spectra from the biomass density and interactive, prognostic fishing effort. Within this framework, the equilibrium fish biomass is determined by the economic forcings of catchability, ex-vessel price and cost per unit effort, while the peak harvest depends on the ecosystem parameters. Comparison of a large ensemble of idealized simulations with observational databases, focusing on historical biomass and peak harvests, allows us to narrow the range of several uncertain ecosystem parameters, rule out most parameter combinations, and select an optimal ensemble of model variants. Compared to the prior distributions, model variants with lower values of the mortality rate, trophic efficiency, and allometric constant agree better with observations. For most acceptable parameter combinations, natural mortality rates are more strongly affected by temperature than growth rates, suggesting different sensitivities of these processes to climate change. These results highlight the utility of adopting large-scale, aggregated data constraints to reduce model parameter uncertainties and to better predict the response of fisheries to human behaviour and climate change.

  12. Disciplines, models, and computers: the path to computational quantum chemistry.

    Science.gov (United States)

    Lenhard, Johannes

    2014-12-01

    Many disciplines and scientific fields have undergone a computational turn in the past several decades. This paper analyzes this sort of turn by investigating the case of computational quantum chemistry. The main claim is that the transformation from quantum to computational quantum chemistry involved changes in three dimensions. First, on the side of instrumentation, small computers and a networked infrastructure took over the lead from centralized mainframe architecture. Second, a new conception of computational modeling became feasible and assumed a crucial role. And third, the field of computa- tional quantum chemistry became organized in a market-like fashion and this market is much bigger than the number of quantum theory experts. These claims will be substantiated by an investigation of the so-called density functional theory (DFT), the arguably pivotal theory in the turn to computational quantum chemistry around 1990.

  13. Modelling local chemistry in PWR steam generator crevices

    International Nuclear Information System (INIS)

    The accumulation of impurities in local regions of PWR Steam Generators (SG) has resulted in the accelerated corrosion of SG materials. The chemical conditions in crevices and sludge piles is dependent on thermal hydraulic and mass transfer processes as well as the physical chemistry of the concentrated solution itself. This paper discusses the different modelling approaches which can be used to describe the concentration process and the local chemistry in these regions. The limitations of each approach and the applicability of model results to field conditions are discussed in the paper. EPRI's program in this area, including past accomplishments and the models used in the MULTEQ code are described in the paper. (author)

  14. Chemistry

    International Nuclear Information System (INIS)

    Ferris, L.M.

    1975-01-01

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

  15. High fidelity chemistry and radiation modeling for oxy -- combustion scenarios

    Science.gov (United States)

    Abdul Sater, Hassan A.

    To account for the thermal and chemical effects associated with the high CO2 concentrations in an oxy-combustion atmosphere, several refined gas-phase chemistry and radiative property models have been formulated for laminar to highly turbulent systems. This thesis examines the accuracies of several chemistry and radiative property models employed in computational fluid dynamic (CFD) simulations of laminar to transitional oxy-methane diffusion flames by comparing their predictions against experimental data. Literature review about chemistry and radiation modeling in oxy-combustion atmospheres considered turbulent systems where the predictions are impacted by the interplay and accuracies of the turbulence, radiation and chemistry models. Thus, by considering a laminar system we minimize the impact of turbulence and the uncertainties associated with turbulence models. In the first section of this thesis, an assessment and validation of gray and non-gray formulations of a recently proposed weighted-sum-of-gray gas model in oxy-combustion scenarios was undertaken. Predictions of gas, wall temperatures and flame lengths were in good agreement with experimental measurements. The temperature and flame length predictions were not sensitive to the radiative property model employed. However, there were significant variations between the gray and non-gray model radiant fraction predictions with the variations in general increasing with decrease in Reynolds numbers possibly attributed to shorter flames and steeper temperature gradients. The results of this section confirm that non-gray model predictions of radiative heat fluxes are more accurate than gray model predictions especially at steeper temperature gradients. In the second section, the accuracies of three gas-phase chemistry models were assessed by comparing their predictions against experimental measurements of temperature, species concentrations and flame lengths. The chemistry was modeled employing the Eddy

  16. Uncertainty and error in complex plasma chemistry models

    Science.gov (United States)

    Turner, Miles M.

    2015-06-01

    Chemistry models that include dozens of species and hundreds to thousands of reactions are common in low-temperature plasma physics. The rate constants used in such models are uncertain, because they are obtained from some combination of experiments and approximate theories. Since the predictions of these models are a function of the rate constants, these predictions must also be uncertain. However, systematic investigations of the influence of uncertain rate constants on model predictions are rare to non-existent. In this work we examine a particular chemistry model, for helium-oxygen plasmas. This chemistry is of topical interest because of its relevance to biomedical applications of atmospheric pressure plasmas. We trace the primary sources for every rate constant in the model, and hence associate an error bar (or equivalently, an uncertainty) with each. We then use a Monte Carlo procedure to quantify the uncertainty in predicted plasma species densities caused by the uncertainty in the rate constants. Under the conditions investigated, the range of uncertainty in most species densities is a factor of two to five. However, the uncertainty can vary strongly for different species, over time, and with other plasma conditions. There are extreme (pathological) cases where the uncertainty is more than a factor of ten. One should therefore be cautious in drawing any conclusion from plasma chemistry modelling, without first ensuring that the conclusion in question survives an examination of the related uncertainty.

  17. Machine learning of atmospheric chemistry. Applications to a global chemistry transport model.

    Science.gov (United States)

    Evans, M. J.; Keller, C. A.

    2017-12-01

    Atmospheric chemistry is central to many environmental issues such as air pollution, climate change, and stratospheric ozone loss. Chemistry Transport Models (CTM) are a central tool for understanding these issues, whether for research or for forecasting. These models split the atmosphere in a large number of grid-boxes and consider the emission of compounds into these boxes and their subsequent transport, deposition, and chemical processing. The chemistry is represented through a series of simultaneous ordinary differential equations, one for each compound. Given the difference in life-times between the chemical compounds (mili-seconds for O(1D) to years for CH4) these equations are numerically stiff and solving them consists of a significant fraction of the computational burden of a CTM.We have investigated a machine learning approach to solving the differential equations instead of solving them numerically. From an annual simulation of the GEOS-Chem model we have produced a training dataset consisting of the concentration of compounds before and after the differential equations are solved, together with some key physical parameters for every grid-box and time-step. From this dataset we have trained a machine learning algorithm (random regression forest) to be able to predict the concentration of the compounds after the integration step based on the concentrations and physical state at the beginning of the time step. We have then included this algorithm back into the GEOS-Chem model, bypassing the need to integrate the chemistry.This machine learning approach shows many of the characteristics of the full simulation and has the potential to be substantially faster. There are a wide range of application for such an approach - generating boundary conditions, for use in air quality forecasts, chemical data assimilation systems, centennial scale climate simulations etc. We discuss our approches' speed and accuracy, and highlight some potential future directions for

  18. A Bioeconomic model of ocean acidification in the Baffin Bay/ Davis Strait Shrimp Fishery

    DEFF Research Database (Denmark)

    Kaiser, Brooks; Ravn-Jonsen, Lars

    We examine the case of the shrimp fishery in Baffin Bay/Davis Straight for potential effects of Ocean Acidification (OA), including: 1. the overall productivity of the shrimp fishery, 2. the spatial spread of the shrimp fishery, 3. the quality of the shrimp brought to market, and hence price...

  19. Holistic assessment of Chwaka Bay's multi-gear fishery - Using a trophic modeling approach

    Science.gov (United States)

    Rehren, Jennifer; Wolff, Matthias; Jiddawi, Narriman

    2018-04-01

    East African coastal communities highly depend on marine resources for not just income but also protein supply. The multi-species, multi-gear nature of East African fisheries makes this type of fishery particularly difficult to manage, as there is a trade-off between maximizing total catch from all gears and species and minimizing overfishing of target species and the disintegration of the ecosystem. The use and spatio-temporal overlap of multiple gears in Chwaka Bay (Zanzibar) has led to severe conflicts between fishermen. There is a general concern of overfishing in the bay because of the widespread use of small mesh sizes and destructive gears such as dragnets and spear guns. We constructed an Ecopath food web model to describe the current trophic flow structure and fishing pattern of the bay. Based on this model, we explored the impact of different gears on the ecosystem and the fishing community in order to give advice for gear based management in the bay. Results indicate that Chwaka bay is a productive, shallow water system, with biomass concentrations around the first and second trophic level. The system is greatly bottom-up driven and dominated by primary producers and invertebrates. The trophic and network indicators as well as the community energetics characterize Chwaka Bay as relatively mature. Traps and dragnets have the strongest impact on the ecosystem and on the catches obtained by other gears. Both gears potentially destabilize the ecosystem by reducing the biomass of top-down controlling key species (including important herbivores of macroalgae). The dragnet fishery is the least profitable, but provides most jobs for the fishing community. Thus, a complete ban of dragnets in the bay would require the provision of alternative livelihoods. Due to the low resource biomass of fish in the bay and the indication of a loss of structural control of certain fish groups, Chwaka Bay does not seem to provide scope for further expansion of the fishery

  20. Managing risks in the fisheries supply chain using House of Risk Framework (HOR) and Interpretive Structural Modeling (ISM)

    Science.gov (United States)

    Nguyen, T. L. T.; Tran, T. T.; Huynh, T. P.; Ho, T. K. D.; Le, A. T.; Do, T. K. H.

    2018-04-01

    One of the sectors which contributes importantly to the development of Vietnam economy is fishery industry. However, during recent year, it has been witnessed many difficulties on managing the performance of the fishery supply chain operations as a whole. In this paper, a framework for supply chain risk management (SCRM) is proposed. Initially, all the activities are mapped by using Supply Chain Operations Reference (SCOR) model. Next, the risk ranking is analyzed in House of Risk. Furthermore, interpretive structural modeling (ISM) is used to identify inter-relationships among supply chain risks and to visualize the risks according to their levels. For illustration, the model has been tested in several case studies with fishery companies in Can Tho, Mekong Delta. This study identifies 22 risk events and 20 risk agents through the supply chain. Also, the risk priority could be used for further House of Risk with proactive actions in future studies.

  1. Modelling porewater chemistry in hydrated Portland cement

    International Nuclear Information System (INIS)

    Berner, U.R.

    1987-01-01

    Extensive employment of concrete is foreseen in radioactive waste repositories. A prerequisite for modelling the interactions between concrete and formation waters is characterization of the concrete system. Available experimental data from high pressure squeezing of cement pore-water indicate that, besides the high pH due to alkali hydroxide dissolution, cement composition itself influences the solubility determining solid phases. A model which simulates the hydration of Portland cement assuming complete hydration of the main clinker minerals is presented. The model also includes parameters describing the reactions between the cement and blending agents. Comparison with measured pore-water data generally gives a consistent picture and, as expected, the model gives correct predictions for pure Portland cements. For blended cements, the required additional parameters can, to some extent, be derived from pore-water analysis. 14 references, 1 figure, 4 tables

  2. Solving vertical transport and chemistry in air pollution models

    NARCIS (Netherlands)

    P.J.F. Berkvens (Patrick); M.A. Botchev; J.G. Verwer (Jan); M.C. Krol; W. Peters

    2000-01-01

    textabstractFor 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

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

    NARCIS (Netherlands)

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

    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.

  4. Promoting Representational Competence with Molecular Models in Organic Chemistry

    Science.gov (United States)

    Stull, Andrew T.; Gainer, Morgan; Padalkar, Shamin; Hegarty, Mary

    2016-01-01

    Mastering the many different diagrammatic representations of molecules used in organic chemistry is challenging for students. This article summarizes recent research showing that manipulating 3-D molecular models can facilitate the understanding and use of these representations. Results indicate that students are more successful in translating…

  5. Solving vertical transport and chemistry in air pollution models

    NARCIS (Netherlands)

    Berkvens, P.J.F.; Bochev, M.A.; Krol, M.C.; Peters, W.; Verwer, J.G.; Chock, David P.; Carmichael, Gregory R.; Brick, Patricia

    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.

  6. A coordination chemistry approach for modeling trace element adsorption

    International Nuclear Information System (INIS)

    Bourg, A.C.M.

    1986-01-01

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

  7. An Overview of Atmospheric Chemistry and Air Quality Modeling

    Science.gov (United States)

    Johnson, Matthew S.

    2017-01-01

    This presentation will include my personal research experience and an overview of atmospheric chemistry and air quality modeling to the participants of the NASA Student Airborne Research Program (SARP 2017). The presentation will also provide examples on ways to apply airborne observations for chemical transport (CTM) and air quality (AQ) model evaluation. CTM and AQ models are important tools in understanding tropospheric-stratospheric composition, atmospheric chemistry processes, meteorology, and air quality. This presentation will focus on how NASA scientist currently apply CTM and AQ models to better understand these topics. Finally, the importance of airborne observation in evaluating these topics and how in situ and remote sensing observations can be used to evaluate and improve CTM and AQ model predictions will be highlighted.

  8. Systems approach modelling of the interactive effects of fisheries, jellyfish and tourism in the Catalan coast

    Science.gov (United States)

    Tomlinson, Benjamin; Maynou, Francesc; Sabatés, Ana; Fuentes, Verónica; Canepa, Antonio; Sastre, Sergio

    2018-02-01

    Despite the large fluctuation in annual recordings of gelatinous plankton along the Catalan coast in the north western Mediterranean and the lack of long term data sets, there is a general perception that jellyfish abundances are increasing. Local authorities are concerned about the stranding events and arrivals of jellyfish to beaches and believe it could reduce the recreational appeal of the beaches - a valuable ecosystem service for the regional tourist industry. Previous studies also demonstrate the predation of jellyfish (Pelagia noctiluca ephyrae) upon some small pelagic fish larvae (Engraulis encrasicolus). Small pelagics are the principal source of revenue for the local fisheries. A social-ecological model was created in order to capture the effects of changes in abundance of P. noctiluca upon the local fisheries, the tourist industry and the wider economy. The following sub-models were constructed and connected following the systems approach framework methodology: an age-class based fisheries model; a jellyfish population matrix model; a jellyfish stranding model; a study on the impact of jellyfish strandings on beach users; and an economic input-output matrix. Various future scenarios for different abundances of jellyfish blooms were run. The "Expected blooms" scenario is similar to the quantity and size of blooms for 2000-2010. For a hypothetical "No blooms" scenario (standard background level of jellyfish but without any blooms) landings would increase by around 294 tonnes (5.1%) per year (averaged over 10 years) or approximately 0.19 M€ in profits per year (4.5%), and strandings would decrease by 49%. In a "Frequent blooms" scenario, landings would decrease by around 147 tonnes per year (2.5%) and decrease profits by 0.10 M€ per year (2.3%), and strandings would increase by 32%. Given the changes that these scenarios would cause on the regional gross domestic product and employment, this study concludes that the overall impact of either of these

  9. Calibration of a Chemistry Test Using the Rasch Model

    Directory of Open Access Journals (Sweden)

    Nancy Coromoto Martín Guaregua

    2011-11-01

    Full Text Available The Rasch model was used to calibrate a general chemistry test for the purpose of analyzing the advantages and information the model provides. The sample was composed of 219 college freshmen. Of the 12 questions used, good fit was achieved in 10. The evaluation shows that although there are items of variable difficulty, there are gaps on the scale; in order to make the test complete, it will be necessary to design new items to fill in these gaps.

  10. Modelling the effects of climate change, species interactions and fisheries – towards Ecosystem-based Fisheries Management in the Central Baltic Sea

    DEFF Research Database (Denmark)

    Lindegren, Martin

    aim of this thesis is to develop a decision-support tool fit for achieving EBFM in the Central Baltic Sea, an ecosystem heavily impacted by overfishing and climate change. To that end, a theoretical approach for modelling multispecies population dynamics was combined with advanced statistical methods...... in order to develop a stochastic food-web model integrating species interactions, between cod and the forage fish species herring and sprat, with external forcing through commercial fishing, zooplankton and climate effects. Furthermore, by linking models across sectors, i.e., with climate and bio...... the response of Baltic fish stocks to climate change and take appropriate management actions to mitigate negative effects on future fisheries production. Furthermore, by presenting the ecological need and economic advantage of our ecosystem-based approach we may establish the institutional and political...

  11. Modelling the effects of climate change, species interactions and fisheries – towards Ecosystem-based Fisheries Management in the Central Baltic Sea

    DEFF Research Database (Denmark)

    Lindegren, Martin

    aim of this thesis is to develop a decision-support tool fit for achieving EBFM in the Central Baltic Sea, an ecosystem heavily impacted by overfishing and climate change. To that end, a theoretical approach for modelling multispecies population dynamics was combined with advanced statistical methods...... the response of Baltic fish stocks to climate change and take appropriate management actions to mitigate negative effects on future fisheries production. Furthermore, by presenting the ecological need and economic advantage of our ecosystem-based approach we may establish the institutional and political...... in order to develop a stochastic food-web model integrating species interactions, between cod and the forage fish species herring and sprat, with external forcing through commercial fishing, zooplankton and climate effects. Furthermore, by linking models across sectors, i.e., with climate and bio...

  12. 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

    2015-01-01

    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…

  13. Challenges in modelling the reaction chemistry of interstellar dust.

    Science.gov (United States)

    Bromley, S T; Goumans, T P M; Herbst, E; Jones, A P; Slater, B

    2014-09-21

    Studies aiming to understand the physicochemical properties of interstellar dust and the chemical reactions that occur on and in it have traditionally been the preserve of astronomical observation and experimental attempts to mimic astronomically relevant conditions in the laboratory. Increasingly, computational modelling in its various guises is establishing a complementary third pillar of support to this endeavour by providing detailed insights into the complexities of interstellar dust chemistry. Inherently, the basis of computational modelling is to be found in the details (e.g. atomic structure/composition, reaction barriers) that are difficult to probe accurately from observation and experiment. This bottom-up atom-based theoretical approach, often itself based on deeper quantum mechanical principles, although extremely powerful, also has limitations when systems become too large or complex. In this Perspective, after first providing a general background to the current state of observational-based knowledge, we introduce a number of computational modelling methods with reference to recent state-of-the-art studies, in order to highlight the capabilities of such approaches in this field. Specifically, we first outline the use of computational chemistry methods for dust nucleation, structure, and individual reactions on bare and icy dust surfaces. Later, we review kinetic modelling of networks of reactions relevant to dust chemistry and how to take into account quantum tunnelling effects in the low temperature reactions in the interstellar medium. Finally, we point to the future challenges that need to be overcome for computational modelling to provide even more detailed and encompassing perspectives on the nature and reaction chemistry of interstellar dust.

  14. 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

  15. PRESEMO - a predictive model of codend selectivity - a tool for fishery managers

    DEFF Research Database (Denmark)

    O'Neill, F.G.; Herrmann, Bent

    2007-01-01

    parameters are expressed in terms of the gear design parameters and in terms of both catch size and gear design parameters. The potential use of these results in a management context and for the development of more selective gears is highlighted by plotting iso-/(50) and iso-sr curves used to identify gear...... design parameters that give equal estimates of the 50% retention length and the selection range, respectively. It is emphasized that this approach can be extended to consider the influence of other design parameters and, if sufficient relevant quantitative information exists, biological and behavioural...... parameters. As such, the model presented here will provide a better understanding of the selection process, permit a more targeted approach to codend selectivity experiments, and assist fishery managers to assess the impact of proposed technical measures that are introduced to reduce the catch of undersized...

  16. The numerical model of the sediment distribution pattern at Lampulo National fisheries port

    Science.gov (United States)

    Irham, M.; Setiawan, I.

    2018-01-01

    The spatial distribution of sediment pattern was studied at Lampulo Fisheries Port, Krueng Aceh estuarial area, Banda Aceh. The research was conducted using the numerical model of wave-induced currents at shallow water area. The study aims to understand how waves and currents react to the pattern of sediment distribution around the beach structure in that region. The study demonstrated that the port pool area had no sedimentation and erosion occurred because the port was protected by the jetty as the breakwater to defend the incoming waves toward the pool. The protected pool created a weak current circulation to distribute the sediments. On the other hand, the sediments were heavily distributed along the beach due to the existence of longshore currents near the shoreline (outside the port pool area). Meanwhile, at the estuarial area, the incoming fresh water flow responded to the coastal shallow water currents, generating Eddy-like flow at the mouth of the river.

  17. MIANN models in medicinal, physical and organic chemistry.

    Science.gov (United States)

    González-Díaz, Humberto; Arrasate, Sonia; Sotomayor, Nuria; Lete, Esther; Munteanu, Cristian R; Pazos, Alejandro; Besada-Porto, Lina; Ruso, Juan M

    2013-01-01

    Reducing costs in terms of time, animal sacrifice, and material resources with computational methods has become a promising goal in Medicinal, Biological, Physical and Organic Chemistry. There are many computational techniques that can be used in this sense. In any case, almost all these methods focus on few fundamental aspects including: type (1) methods to quantify the molecular structure, type (2) methods to link the structure with the biological activity, and others. In particular, MARCH-INSIDE (MI), acronym for Markov Chain Invariants for Networks Simulation and Design, is a well-known method for QSAR analysis useful in step (1). In addition, the bio-inspired Artificial-Intelligence (AI) algorithms called Artificial Neural Networks (ANNs) are among the most powerful type (2) methods. We can combine MI with ANNs in order to seek QSAR models, a strategy which is called herein MIANN (MI & ANN models). One of the first applications of the MIANN strategy was in the development of new QSAR models for drug discovery. MIANN strategy has been expanded to the QSAR study of proteins, protein-drug interactions, and protein-protein interaction networks. In this paper, we review for the first time many interesting aspects of the MIANN strategy including theoretical basis, implementation in web servers, and examples of applications in Medicinal and Biological chemistry. We also report new applications of the MIANN strategy in Medicinal chemistry and the first examples in Physical and Organic Chemistry, as well. In so doing, we developed new MIANN models for several self-assembly physicochemical properties of surfactants and large reaction networks in organic synthesis. In some of the new examples we also present experimental results which were not published up to date.

  18. The global change research center atmospheric chemistry model

    Energy Technology Data Exchange (ETDEWEB)

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

    1995-01-01

    This work outlines the development of a new model of the chemistry of the natural atmosphere. The model is 2.5-dimensional, having spatial coordinates height, latitude, and, the half-dimension, land and ocean. The model spans both the troposphere and stratosphere, although the troposphere is emphasized and the stratosphere is simple and incomplete. The chemistry in the model includes the Ox, HOx, NOx, 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.

  19. Systematic evaluation of atmospheric chemistry-transport model CHIMERE

    Science.gov (United States)

    Khvorostyanov, Dmitry; Menut, Laurent; Mailler, Sylvain; Siour, Guillaume; Couvidat, Florian; Bessagnet, Bertrand; Turquety, Solene

    2017-04-01

    Regional-scale atmospheric chemistry-transport models (CTM) are used to develop air quality regulatory measures, to support environmentally sensitive decisions in the industry, and to address variety of scientific questions involving the atmospheric composition. Model performance evaluation with measurement data is critical to understand their limits and the degree of confidence in model results. CHIMERE CTM (http://www.lmd.polytechnique.fr/chimere/) is a French national tool for operational forecast and decision support and is widely used in the international research community in various areas of atmospheric chemistry and physics, climate, and environment (http://www.lmd.polytechnique.fr/chimere/CW-articles.php). This work presents the model evaluation framework applied systematically to the new CHIMERE CTM versions in the course of the continuous model development. The framework uses three of the four CTM evaluation types identified by the Environmental Protection Agency (EPA) and the American Meteorological Society (AMS): operational, diagnostic, and dynamic. It allows to compare the overall model performance in subsequent model versions (operational evaluation), identify specific processes and/or model inputs that could be improved (diagnostic evaluation), and test the model sensitivity to the changes in air quality, such as emission reductions and meteorological events (dynamic evaluation). The observation datasets currently used for the evaluation are: EMEP (surface concentrations), AERONET (optical depths), and WOUDC (ozone sounding profiles). The framework is implemented as an automated processing chain and allows interactive exploration of the results via a web interface.

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

    International Nuclear Information System (INIS)

    Bonten, Luc T.C.; Groenenberg, Jan E.; Meesenburg, Henning; Vries, Wim de

    2011-01-01

    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.

  1. A predictive model to inform adaptive management of double-crested cormorants and fisheries in Michigan

    Science.gov (United States)

    Tsehaye, Iyob; Jones, Michael L.; Irwin, Brian J.; Fielder, David G.; Breck, James E.; Luukkonen, David R.

    2015-01-01

    The proliferation of double-crested cormorants (DCCOs; Phalacrocorax auritus) in North America has raised concerns over their potential negative impacts on game, cultured and forage fishes, island and terrestrial resources, and other colonial water birds, leading to increased public demands to reduce their abundance. By combining fish surplus production and bird functional feeding response models, we developed a deterministic predictive model representing bird–fish interactions to inform an adaptive management process for the control of DCCOs in multiple colonies in Michigan. Comparisons of model predictions with observations of changes in DCCO numbers under management measures implemented from 2004 to 2012 suggested that our relatively simple model was able to accurately reconstruct past DCCO population dynamics. These comparisons helped discriminate among alternative parameterizations of demographic processes that were poorly known, especially site fidelity. Using sensitivity analysis, we also identified remaining critical uncertainties (mainly in the spatial distributions of fish vs. DCCO feeding areas) that can be used to prioritize future research and monitoring needs. Model forecasts suggested that continuation of existing control efforts would be sufficient to achieve long-term DCCO control targets in Michigan and that DCCO control may be necessary to achieve management goals for some DCCO-impacted fisheries in the state. Finally, our model can be extended by accounting for parametric or ecological uncertainty and including more complex assumptions on DCCO–fish interactions as part of the adaptive management process.

  2. Solving vertical transport and chemistry in air pollution models

    International Nuclear Information System (INIS)

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

  3. 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.

  4. Screening California Current fishery management scenarios using the Atlantis end-to-end ecosystem model

    Science.gov (United States)

    Kaplan, Isaac C.; Horne, Peter J.; Levin, Phillip S.

    2012-09-01

    End-to-end marine ecosystem models link climate and oceanography to the food web and human activities. These models can be used as forecasting tools, to strategically evaluate management options and to support ecosystem-based management. Here we report the results of such forecasts in the California Current, using an Atlantis end-to-end model. We worked collaboratively with fishery managers at NOAA’s regional offices and staff at the National Marine Sanctuaries (NMS) to explore the impact of fishery policies on management objectives at different spatial scales, from single Marine Sanctuaries to the entire Northern California Current. In addition to examining Status Quo management, we explored the consequences of several gear switching and spatial management scenarios. Of the scenarios that involved large scale management changes, no single scenario maximized all performance metrics. Any policy choice would involve trade-offs between stakeholder groups and policy goals. For example, a coast-wide 25% gear shift from trawl to pot or longline appeared to be one possible compromise between an increase in spatial management (which sacrificed revenue) and scenarios such as the one consolidating bottom impacts to deeper areas (which did not perform substantially differently from Status Quo). Judged on a coast-wide scale, most of the scenarios that involved minor or local management changes (e.g. within Monterey Bay NMS only) yielded results similar to Status Quo. When impacts did occur in these cases, they often involved local interactions that were difficult to predict a priori based solely on fishing patterns. However, judged on the local scale, deviation from Status Quo did emerge, particularly for metrics related to stationary species or variables (i.e. habitat and local metrics of landed value or bycatch). We also found that isolated management actions within Monterey Bay NMS would cause local fishers to pay a cost for conservation, in terms of reductions in landed

  5. Exploring trade-offs between fisheries and conservation of the vaquita porpoise (Phocoena sinus) using an Atlantis ecosystem model.

    Science.gov (United States)

    Morzaria-Luna, Hem Nalini; Ainsworth, Cameron H; Kaplan, Isaac C; Levin, Phillip S; Fulton, Elizabeth A

    2012-01-01

    Minimizing fishery bycatch threats might involve trade-offs between maintaining viable populations and economic benefits. Understanding these trade-offs can help managers reconcile conflicting goals. An example is a set of bycatch reduction measures for the Critically Endangered vaquita porpoise (Phocoena sinus), in the Northern Gulf of California, Mexico. The vaquita is an endemic species threatened with extinction by artisanal net bycatch within its limited range; in this area fisheries are the chief source of economic productivity. We analyze trade-offs between conservation of the vaquita and fisheries, using an end-to-end Atlantis ecosystem model for the Northern Gulf of California. Atlantis is a spatially-explicit model intended as a strategic tool to test alternative management strategies. We simulated increasingly restrictive fisheries regulations contained in the vaquita conservation plan: implementing progressively larger spatial management areas that exclude gillnets, shrimp driftnets and introduce a fishing gear that has no vaquita bycatch. We found that only the most extensive spatial management scenarios recovered the vaquita population above the threshold necessary to downlist the species from Critically Endangered. The scenario that excludes existing net gear from the 2008 area of vaquita distribution led to moderate decrease in net present value (US$ 42 million) relative to the best-performing scenario and a two-fold increase in the abundance of adult vaquita over the course of 30 years. Extended spatial management resulted in the highest recovery of the vaquita population. The economic cost of proposed management actions was unequally divided between fishing fleets; the loss of value from finfish gillnet fisheries was never recovered. Our analysis shows that managers will have to confront difficult trade-offs between management scenarios for vaquita conservation.

  6. Exploring trade-offs between fisheries and conservation of the vaquita porpoise (Phocoena sinus using an Atlantis ecosystem model.

    Directory of Open Access Journals (Sweden)

    Hem Nalini Morzaria-Luna

    Full Text Available BACKGROUND: Minimizing fishery bycatch threats might involve trade-offs between maintaining viable populations and economic benefits. Understanding these trade-offs can help managers reconcile conflicting goals. An example is a set of bycatch reduction measures for the Critically Endangered vaquita porpoise (Phocoena sinus, in the Northern Gulf of California, Mexico. The vaquita is an endemic species threatened with extinction by artisanal net bycatch within its limited range; in this area fisheries are the chief source of economic productivity. METHODOLOGY/PRINCIPAL FINDINGS: We analyze trade-offs between conservation of the vaquita and fisheries, using an end-to-end Atlantis ecosystem model for the Northern Gulf of California. Atlantis is a spatially-explicit model intended as a strategic tool to test alternative management strategies. We simulated increasingly restrictive fisheries regulations contained in the vaquita conservation plan: implementing progressively larger spatial management areas that exclude gillnets, shrimp driftnets and introduce a fishing gear that has no vaquita bycatch. We found that only the most extensive spatial management scenarios recovered the vaquita population above the threshold necessary to downlist the species from Critically Endangered. The scenario that excludes existing net gear from the 2008 area of vaquita distribution led to moderate decrease in net present value (US$ 42 million relative to the best-performing scenario and a two-fold increase in the abundance of adult vaquita over the course of 30 years. CONCLUSIONS/SIGNIFICANCE: Extended spatial management resulted in the highest recovery of the vaquita population. The economic cost of proposed management actions was unequally divided between fishing fleets; the loss of value from finfish gillnet fisheries was never recovered. Our analysis shows that managers will have to confront difficult trade-offs between management scenarios for vaquita conservation.

  7. Integrated modeling and characterization of local crack chemistry

    International Nuclear Information System (INIS)

    Savchik, J.A.; Burke, M.S.

    1995-01-01

    The MULTEQ computer program has become an industry wide tool which can be used to calculate the chemical composition in a flow occluded region as the solution within concentrates due to a local boiling process. These results can be used to assess corrosion concerns in plant equipment such as steam generators. Corrosion modeling attempts to quantify corrosion assessments by accounting for the mass transport processes involved in the corrosion mechanism. MULTEQ has played an ever increasing role in defining the local chemistry for such corrosion models. This paper will outline how the integration of corrosion modeling with the analysis of corrosion films and deposits can lead to the development of a useful modeling tool, wherein MULTEQ is interactively linked to a diffusion and migration transport process. This would provide a capability to make detailed inferences of the local crack chemistry based on the analyses of the local corrosion films and deposits inside a crack and thus provide guidance for chemical fixes to avoid cracking. This methodology is demonstrated for a simple example of a cracked tube. This application points out the utility of coupling MULTEQ with a mass transport process and the feasibility of an option in a future version of MULTEQ that would permit relating film and deposit analyses to the local chemical environment. This would increase the amount of information obtained from removed tube analyses and laboratory testing that can contribute to an overall program for mitigating tubing and crevice corrosion

  8. Application of a multi-annual generalized depletion model to the assessment of a data-limited coastal fishery in the western Mediterranean

    Directory of Open Access Journals (Sweden)

    Francesc Maynou

    2015-06-01

    Full Text Available A multi-annual generalized depletion model was applied to a coastal fishery in Vilanova i la Geltrú (western Mediterranean to assess the exploitation status of striped red mullet (Mullus surmuletus and cuttlefish (Sepia officinalis, two of the main target species of Mediterranean small-scale fisheries. It is shown that in data-limited stocks, which is often the case in small-scale fisheries, catch and effort data at high temporal frequency (day, week, month complemented with biological information and a priori knowledge (mean body weight, natural mortality and period of recruitment to the fishery can be effectively exploited to produce assessment results applicable to fisheries management. For the two species analysed, the assessment results showed that exploitation rates are high and vulnerable biomass has been decreasing over the last 14 years.

  9. Regulating fisheries under uncertainty

    DEFF Research Database (Denmark)

    Hansen, Lars Gårn; Jensen, Frank

    2017-01-01

    the effects of these uncertainties into a single welfare measure for comparing tax and quota regulation. It is shown that quotas are always preferred to fees when structural economic uncertainty dominates. Since most regulators are subject to this kind of uncertainty, this result is a potentially important......Regulator uncertainty is decisive for whether price or quantity regulation maximizes welfare in fisheries. In this paper, we develop a model of fisheries regulation that includes ecological uncertainly, variable economic uncertainty as well as structural economic uncertainty. We aggregate...... qualification of the pro-price regulation message dominating the fisheries economics literature. We also believe that the model of a fishery developed in this paper could be applied to the regulation of other renewable resources where regulators are subject to uncertainty either directly or with some...

  10. Kinetic model studies of atmospheric droplet chemistry: 2. Homogeneous transition metal chemistry in raindrops

    Science.gov (United States)

    Graedel, T. E.; Mandich, M. L.; Weschler, C. J.

    1986-04-01

    Considerable evidence indicates that dissolved transition metal ions (TMI) are capable of catalyzing oxidations in atmospheric water droplets, at least in certain circumstances. Wide variations in the importance of TMI chemistry are expected in these systems because concentrations of transition metals in water droplets range over at least 4 orders of magnitude. In the present work we perform an extensive series of model calculations for TMI chemistry in raindrops. The specific TMI discussed are iron, manganese, and copper. The present treatment is restricted to homogeneous processes, that is, those involving dissolved molecules and ions. Results are presented for studies at pH 3 and pH 4, for both daytime and nighttime conditions. Among the results are the following: (1) At pH 3 and pH 4, Fe(III) is present largely as photosensitive hydroxide complexes. Our model results indicate that under atmospheric conditions the photolysis of these complexes is the primary daytime source of reactive free radicals within the droplets, even at quite low TMI concentrations. (2) TMI complex photolysis is not, of course, operative at night. At those times the presence of TMI continues to control the concentration of free radicals in raindrops through "Fenton type" reactions with hydrogen peroxide, for example, Fe(II) + H2O2 → Fe(III) + OH + OH-. (3) The oxidation of S(IV) to S(VI) by H2O2 is the most important daytime sulfite oxidation process in raindrops, but S(IV) oxidation catalyzed by Mn(II) can be significant under certain conditions, particularly at night or in the winter months. (4) Solution nitrogen chemistry is relatively unaffected by TMI. Its most important daytime chemical process is the (rather inefficient) photodissociation of the nitrate ion, a process which generates ozone (and hence HOx radicals). (5) Organic chemistry in atmospheric water droplets is very sensitive to the presence of hydroxyl radicals. Since OH· production is strongly influenced by catalysis

  11. Can global chemistry-climate models reproduce air quality extremes?

    Science.gov (United States)

    Schnell, J.; Prather, M. J.; Holmes, C. D.

    2013-12-01

    We identify and characterize extreme ozone pollution episodes over the USA and EU through a novel analysis of ten years (2000-2010) of surface ozone measurements. An optimal interpolation scheme is developed to create grid-cell averaged values of surface ozone that can be compared with gridded model simulations. In addition, it also allows a comparison of two non-coincident observational networks in the EU. The scheme incorporates techniques borrowed from inverse distance weighting and Kriging. It uses all representative observational site data while still recognizing the heterogeneity of surface ozone. Individual, grid-cell level events are identified as an exceedance of historical percentile (10 worst days in a year, 97.3 percentile). A clustering algorithm is then used to construct the ozone episodes from the individual events. We then test the skill of the high-resolution (100 km) two-year (2005-2006) hindcast from the UCI global chemistry transport model in reproducing the events/episodes identified in the observations using the same identification criteria. Although the UCI CTM has substantial biases in surface ozone, we find that it has considerable skill in reproducing both individual grid-cell level extreme events and their connectedness in space and time with an overall skill of 24% (32%) for the US (EU). The grid-cell level extreme ozone events in both the observations and UCI CTM are found to occur mostly (~75%) in coherent, multi-day, connected episodes covering areas greater than 1000 x 1000 square km. In addition the UCI CTM has greater skill in reproducing these larger episodes. We conclude that even at relatively coarse resolution, global chemistry-climate models can be used to project major synoptic pollution episodes driven by large-scale climate and chemistry changes even with their known biases.

  12. Bayesian spatio-temporal discard model in a demersal trawl fishery

    Science.gov (United States)

    Grazia Pennino, M.; Muñoz, Facundo; Conesa, David; López-Quílez, Antonio; Bellido, José M.

    2014-07-01

    Spatial management of discards has recently been proposed as a useful tool for the protection of juveniles, by reducing discard rates and can be used as a buffer against management errors and recruitment failure. In this study Bayesian hierarchical spatial models have been used to analyze about 440 trawl fishing operations of two different metiers, sampled between 2009 and 2012, in order to improve our understanding of factors that influence the quantity of discards and to identify their spatio-temporal distribution in the study area. Our analysis showed that the relative importance of each variable was different for each metier, with a few similarities. In particular, the random vessel effect and seasonal variability were identified as main driving variables for both metiers. Predictive maps of the abundance of discards and maps of the posterior mean of the spatial component show several hot spots with high discard concentration for each metier. We argue how the seasonal/spatial effects, and the knowledge about the factors influential to discarding, could potentially be exploited as potential mitigation measures for future fisheries management strategies. However, misidentification of hotspots and uncertain predictions can culminate in inappropriate mitigation practices which can sometimes be irreversible. The proposed Bayesian spatial method overcomes these issues, since it offers a unified approach which allows the incorporation of spatial random-effect terms, spatial correlation of the variables and the uncertainty of the parameters in the modeling process, resulting in a better quantification of the uncertainty and accurate predictions.

  13. SWIFT: Semi-empirical and numerically efficient stratospheric ozone chemistry for global climate models

    OpenAIRE

    Kreyling, Daniel; Wohltmann, Ingo; Lehmann, Ralph; Rex, Markus

    2015-01-01

    The SWIFT model is a fast yet accurate chemistry scheme for calculating the chemistry of stratospheric ozone. It is mainly intended for use in Global Climate Models (GCMs), Chemistry Climate Models (CCMs) and Earth System Models (ESMs). For computing time reasons these models often do not employ full stratospheric chem- istry modules, but use prescribed ozone instead. This can lead to insufficient representation between stratosphere and troposphere. The SWIFT stratospheric ozone chem...

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

    International Nuclear Information System (INIS)

    Fauchon, C.; Millett, P.J.; Ollar, P.

    1998-01-01

    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)

  15. Connecting fishery sustainability to estuarine habitats and nutrient loading

    Science.gov (United States)

    The production of several important fishery species depends on critical estuarine habitats, including seagrasses and salt marshes. Relatively simple models can be constructed to relate fishery productivity to the extent and distribution of these habitats by linking fishery-depend...

  16. The chemical bond in inorganic chemistry the bond valence model

    CERN Document Server

    Brown, I David

    2016-01-01

    The bond valence model is a version of the ionic model in which the chemical constraints are expressed in terms of localized chemical bonds formed by the valence charge of the atoms. Theorems derived from the properties of the electrostatic flux predict the rules obeyed by both ionic and covalent bonds. They make quantitative predictions of coordination number, crystal structure, bond lengths and bond angles. Bond stability depends on the matching of the bonding strengths of the atoms, while the conflicting requirements of chemistry and space lead to the structural instabilities responsible for the unusual physical properties displayed by some materials. The model has applications in many fields ranging from mineralogy to molecular biology.

  17. Chemistry resolved kinetic flow modeling of TATB based explosives

    Science.gov (United States)

    Vitello, Peter; Fried, Laurence E.; William, Howard; Levesque, George; Souers, P. Clark

    2012-03-01

    Detonation waves in insensitive, TATB-based explosives are believed to have multiple time scale regimes. The initial burn rate of such explosives has a sub-microsecond time scale. However, significant late-time slow release in energy is believed to occur due to diffusion limited growth of carbon. In the intermediate time scale concentrations of product species likely change from being in equilibrium to being kinetic rate controlled. We use the thermo-chemical code CHEETAH linked to an ALE hydrodynamics code to model detonations. We term our model chemistry resolved kinetic flow, since CHEETAH tracks the time dependent concentrations of individual species in the detonation wave and calculates EOS values based on the concentrations. We present here two variants of our new rate model and comparison with hot, ambient, and cold experimental data for PBX 9502.

  18. Consequences of a future climatic scenario for the anchovy fishery in the Alboran Sea (SW Mediterranean): A modeling study

    Science.gov (United States)

    Macías, D.; Castilla-Espino, D.; García-del-Hoyo, J. J.; Navarro, G.; Catalán, I. A.; Renault, L.; Ruiz, J.

    2014-07-01

    The Alboran basin is one of the most productive areas of the Mediterranean Sea and supports an anchovy fishery with a history of remarkably variable landings. Past and present anchovy recruitment levels are highly sensitive to changes in the strength and direction of the incoming jet of Atlantic waters, which modulate the hydrographic features of the basin. Here, we analyze plausible consequences for the anchovy fisheries in the region based on a projected physical scenario for the end of the century obtained using a coupled hydrological-biogeochemical model. Our model predicts a substantial increase in horizontal water velocity and a negligible change in the associated biological production, which likely indicates reductions in anchovy stock, catches and revenues. Alternative policies are analyzed here for the economic scenario that is expected to emerge under future conditions of oceanographic features, pelagic ecosystem dynamics and anchovy landings in the Alboran Sea.

  19. Effects of ocean acidification on fishery yields and profits of red king crab in Bristol Bay from model studies (NCEI Accession 0127395)

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — This archival package contains model output data that were collected to examine the impact of ocean acidification on fishery yields and profits of red king crab in...

  20. A protocol for the intercomparison of marine fishery and ecosystem models: Fish-MIP v1.0

    Science.gov (United States)

    Tittensor, Derek P.; Eddy, Tyler D.; Lotze, Heike K.; Galbraith, Eric D.; Cheung, William; Barange, Manuel; Blanchard, Julia L.; Bopp, Laurent; Bryndum-Buchholz, Andrea; Büchner, Matthias; Bulman, Catherine; Carozza, David A.; Christensen, Villy; Coll, Marta; Dunne, John P.; Fernandes, Jose A.; Fulton, Elizabeth A.; Hobday, Alistair J.; Huber, Veronika; Jennings, Simon; Jones, Miranda; Lehodey, Patrick; Link, Jason S.; Mackinson, Steve; Maury, Olivier; Niiranen, Susa; Oliveros-Ramos, Ricardo; Roy, Tilla; Schewe, Jacob; Shin, Yunne-Jai; Silva, Tiago; Stock, Charles A.; Steenbeek, Jeroen; Underwood, Philip J.; Volkholz, Jan; Watson, James R.; Walker, Nicola D.

    2018-04-01

    Model intercomparison studies in the climate and Earth sciences communities have been crucial to building credibility and coherence for future projections. They have quantified variability among models, spurred model development, contrasted within- and among-model uncertainty, assessed model fits to historical data, and provided ensemble projections of future change under specified scenarios. Given the speed and magnitude of anthropogenic change in the marine environment and the consequent effects on food security, biodiversity, marine industries, and society, the time is ripe for similar comparisons among models of fisheries and marine ecosystems. Here, we describe the Fisheries and Marine Ecosystem Model Intercomparison Project protocol version 1.0 (Fish-MIP v1.0), part of the Inter-Sectoral Impact Model Intercomparison Project (ISIMIP), which is a cross-sectoral network of climate impact modellers. Given the complexity of the marine ecosystem, this class of models has substantial heterogeneity of purpose, scope, theoretical underpinning, processes considered, parameterizations, resolution (grain size), and spatial extent. This heterogeneity reflects the lack of a unified understanding of the marine ecosystem and implies that the assemblage of all models is more likely to include a greater number of relevant processes than any single model. The current Fish-MIP protocol is designed to allow these heterogeneous models to be forced with common Earth System Model (ESM) Coupled Model Intercomparison Project Phase 5 (CMIP5) outputs under prescribed scenarios for historic (from the 1950s) and future (to 2100) time periods; it will be adapted to CMIP phase 6 (CMIP6) in future iterations. It also describes a standardized set of outputs for each participating Fish-MIP model to produce. This enables the broad characterization of differences between and uncertainties within models and projections when assessing climate and fisheries impacts on marine ecosystems and the

  1. A protocol for the intercomparison of marine fishery and ecosystem models: Fish-MIP v1.0

    Directory of Open Access Journals (Sweden)

    D. P. Tittensor

    2018-04-01

    Full Text Available Model intercomparison studies in the climate and Earth sciences communities have been crucial to building credibility and coherence for future projections. They have quantified variability among models, spurred model development, contrasted within- and among-model uncertainty, assessed model fits to historical data, and provided ensemble projections of future change under specified scenarios. Given the speed and magnitude of anthropogenic change in the marine environment and the consequent effects on food security, biodiversity, marine industries, and society, the time is ripe for similar comparisons among models of fisheries and marine ecosystems. Here, we describe the Fisheries and Marine Ecosystem Model Intercomparison Project protocol version 1.0 (Fish-MIP v1.0, part of the Inter-Sectoral Impact Model Intercomparison Project (ISIMIP, which is a cross-sectoral network of climate impact modellers. Given the complexity of the marine ecosystem, this class of models has substantial heterogeneity of purpose, scope, theoretical underpinning, processes considered, parameterizations, resolution (grain size, and spatial extent. This heterogeneity reflects the lack of a unified understanding of the marine ecosystem and implies that the assemblage of all models is more likely to include a greater number of relevant processes than any single model. The current Fish-MIP protocol is designed to allow these heterogeneous models to be forced with common Earth System Model (ESM Coupled Model Intercomparison Project Phase 5 (CMIP5 outputs under prescribed scenarios for historic (from the 1950s and future (to 2100 time periods; it will be adapted to CMIP phase 6 (CMIP6 in future iterations. It also describes a standardized set of outputs for each participating Fish-MIP model to produce. This enables the broad characterization of differences between and uncertainties within models and projections when assessing climate and fisheries impacts on marine ecosystems

  2. 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…

  3. Effort dynamics in a fisheries bioeconomic model: A vessel level approach through Game Theory

    Directory of Open Access Journals (Sweden)

    Gorka Merino

    2007-09-01

    Full Text Available Red shrimp, Aristeus antennatus (Risso, 1816 is one of the most important resources for the bottom-trawl fleets in the northwestern Mediterranean, in terms of both landings and economic value. A simple bioeconomic model introducing Game Theory for the prediction of effort dynamics at vessel level is proposed. The game is performed by the twelve vessels exploiting red shrimp in Blanes. Within the game, two solutions are performed: non-cooperation and cooperation. The first is proposed as a realistic method for the prediction of individual effort strategies and the second is used to illustrate the potential profitability of the analysed fishery. The effort strategy for each vessel is the number of fishing days per year and their objective is profit maximisation, individual profits for the non-cooperative solution and total profits for the cooperative one. In the present analysis, strategic conflicts arise from the differences between vessels in technical efficiency (catchability coefficient and economic efficiency (defined here. The ten-year and 1000-iteration stochastic simulations performed for the two effort solutions show that the best strategy from both an economic and a conservationist perspective is homogeneous effort cooperation. However, the results under non-cooperation are more similar to the observed data on effort strategies and landings.

  4. Modeling hot spring chemistries with applications to martian silica formation

    Science.gov (United States)

    Marion, G.M.; Catling, D.C.; Crowley, J.K.; Kargel, J.S.

    2011-01-01

    Many recent studies have implicated hydrothermal systems as the origin of martian minerals across a wide range of martian sites. Particular support for hydrothermal systems include silica (SiO2) deposits, in some cases >90% silica, in the Gusev Crater region, especially in the Columbia Hills and at Home Plate. We have developed a model called CHEMCHAU that can be used up to 100??C to simulate hot springs associated with hydrothermal systems. The model was partially derived from FREZCHEM, which is a colder temperature model parameterized for broad ranges of temperature (mineral assemblages. Using measured solution chemistries of Yellowstone hot springs and Icelandic hot springs, we simulate salts formed during the evaporation of two low pH cases (high and low temperatures) and a high temperature, alkaline (high pH) sodic water. Simulation of an acid-sulfate case leads to precipitation of Fe and Al minerals along with silica. Consistency with martian mineral assemblages suggests that hot, acidic sulfate solutions are plausibility progenitors of minerals in the past on Mars. In the alkaline pH (8.45) simulation, formation of silica at high temperatures (355K) led to precipitation of anhydrous minerals (CaSO4, Na2SO4) that was also the case for the high temperature (353K) low pH case where anhydrous minerals (NaCl, CaSO4) also precipitated. Thus we predict that secondary minerals associated with massive silica deposits are plausible indicators on Mars of precipitation environments and aqueous chemistry. Theoretical model calculations are in reasonable agreement with independent experimental silica concentrations, which strengthens the validity of the new CHEMCHAU model. ?? 2011 Elsevier Inc.

  5. Meteorological implementation issues in chemistry and transport models

    Directory of Open Access Journals (Sweden)

    S. E. Strahan

    2006-01-01

    Full Text Available Offline chemistry and transport models (CTMs are versatile tools for studying composition and climate issues requiring multi-decadal simulations. They are computationally fast compared to coupled chemistry climate models, making them well-suited for integrating sensitivity experiments necessary for understanding model performance and interpreting results. The archived meteorological fields used by CTMs can be implemented with lower horizontal or vertical resolution than the original meteorological fields in order to shorten integration time, but the effects of these shortcuts on transport processes must be understood if the CTM is to have credibility. In this paper we present a series of sensitivity experiments on a CTM using the Lin and Rood advection scheme, each differing from another by a single feature of the wind field implementation. Transport effects arising from changes in resolution and model lid height are evaluated using process-oriented diagnostics that intercompare CH4, O3, and age tracer carried in the simulations. Some of the diagnostics used are derived from observations and are shown as a reality check for the model. Processes evaluated include tropical ascent, tropical-midlatitude exchange, poleward circulation in the upper stratosphere, and the development of the Antarctic vortex. We find that faithful representation of stratospheric transport in this CTM is possible with a full mesosphere, ~1 km resolution in the lower stratosphere, and relatively low vertical resolution (>4 km spacing in the middle stratosphere and above, but lowering the lid from the upper to lower mesosphere leads to less realistic constituent distributions in the upper stratosphere. Ultimately, this affects the polar lower stratosphere, but the effects are greater for the Antarctic than the Arctic. The fidelity of lower stratospheric transport requires realistic tropical and high latitude mixing barriers which are produced at 2°×2.5°, but not lower

  6. Modelling potential impacts of bottom trawl fisheries on soft sediment biogeochemistry in the North Sea†

    Directory of Open Access Journals (Sweden)

    Parker Ruth

    2001-12-01

    Full Text Available Bottom trawling causes physical disturbance to sediments particularly in shelf areas. The disturbance due to trawling is most significant in deeper areas with softer sediments where levels of natural disturbance due to wave and tidal action are low. In heavily fished areas, trawls may impact the same area of seabed more than four times per year. A single pass of a beam trawl, the heaviest gear routinely used in shelf sea fisheries, can kill 5–65% of the resident fauna and mix the top few cm of sediment. We expect that sediment community function, carbon mineralisation and biogeochemical fluxes will be strongly affected by trawling activity because the physical effects of trawling are equivalent to those of an extreme bioturbator, and yet, unlike bioturbating macrofauna, trawling does not directly contribute to community metabolism. We used an existing box-model of a generalised soft sediment system to examine the effects of trawling disturbance on carbon mineralisation and chemical concentrations. We contrasted the effects of a natural scenario, where bioturbation is a function of macrobenthos biomass, with an anthropogenic impact scenario where physical disturbance results from trawling rather than the action of bioturbating macrofauna. Simulation results suggest that the effects of low levels of trawling disturbance will be similar to those of natural bioturbators but that high levels of trawling disturbance prevent the modelled system from reaching equilibrium due to large carbon fluxes between oxic and anoxic carbon compartments. The presence of macrobenthos in the natural disturbance scenario allowed sediment chemical storage and fluxes to reach equilibrium. This is because the macrobenthos are important carbon consumers in the system whose presence reduces the magnitude of available carbon fluxes. In soft sediment systems, where the level physical disturbance due to waves and tides is low, model results suggest that intensive trawling

  7. Implementation of an Online Chemistry Model to a Large Eddy Simulation Model (PALM-4U0

    Science.gov (United States)

    Mauder, M.; Khan, B.; Forkel, R.; Banzhaf, S.; Russo, E. E.; Sühring, M.; Kanani-Sühring, F.; Raasch, S.; Ketelsen, K.

    2017-12-01

    Large Eddy Simulation (LES) models permit to resolve relevant scales of turbulent motion, so that these models can capture the inherent unsteadiness of atmospheric turbulence. However, LES models are so far hardly applied for urban air quality studies, in particular chemical transformation of pollutants. In this context, BMBF (Bundesministerium für Bildung und Forschung) funded a joint project, MOSAIK (Modellbasierte Stadtplanung und Anwendung im Klimawandel / Model-based city planning and application in climate change) with the main goal to develop a new highly efficient urban climate model (UCM) that also includes atmospheric chemical processes. The state-of-the-art LES model PALM; Maronga et al, 2015, Geosci. Model Dev., 8, doi:10.5194/gmd-8-2515-2015), has been used as a core model for the new UCM named as PALM-4U. For the gas phase chemistry, a fully coupled 'online' chemistry model has been implemented into PALM. The latest version of the Kinetic PreProcessor (KPP) Version 2.3, has been utilized for the numerical integration of chemical species. Due to the high computational demands of the LES model, compromises in the description of chemical processes are required. Therefore, a reduced chemistry mechanism, which includes only major pollutants namely O3, NO, NO2, CO, a highly simplified VOC chemistry and a small number of products have been implemented. This work shows preliminary results of the advection, and chemical transformation of atmospheric pollutants. Non-cyclic boundaries have been used for inflow and outflow in east-west directions while periodic boundary conditions have been implemented to the south-north lateral boundaries. For practical applications, our approach is to go beyond the simulation of single street canyons to chemical transformation, advection and deposition of air pollutants in the larger urban canopy. Tests of chemistry schemes and initial studies of chemistry-turbulence, transport and transformations are presented.

  8. Coupled economic-ecological models for ecosystem-based fishery management: Exploration of trade-offs between model complexity and management needs

    DEFF Research Database (Denmark)

    Thunberg, Eric; Holland, Dan; Nielsen, J. Rasmus

    2012-01-01

    Ecosystem based fishery management has moved beyond rhetorical statements calling for a more holistic approach to resource management, to implementing decisions on resource use that are compatible with goals of maintaining ecosystem health and resilience. Coupled economic-ecological models are ...

  9. Economic effort management in multispecies fisheries: the FcubEcon model

    DEFF Research Database (Denmark)

    Hoff, Ayoe; Frost, Hans; Ulrich, Clara

    2010-01-01

    allocation between fleets should not be based on biological considerations alone, but also on the economic behaviour of fishers, because fisheries management has a significant impact on human behaviour as well as on ecosystem development. The FcubEcon management framework for effort allocation between fleets......-harvest potential and fish-stock-preservation considerations. Effort allocation between fleets should not be based on biological considerations alone, but also on the economic behaviour of fishers, because fisheries management has a significant impact on human behaviour as well as on ecosystem development. The Fcub...... in the development of management tools based on fleets, fisheries, and areas, rather than on unit fish stocks. A natural consequence of this has been to consider effort rather than quota management, a final effort decision being based on fleet-harvest potential and fish-stock-preservation considerations. Effort...

  10. Fisheries Districts

    Data.gov (United States)

    Vermont Center for Geographic Information — The Fisheries districts data layer is part of a larger dataset that contains administrative boundaries for Vermont's Agency of Natural Resources. The dataset...

  11. Flowfield and Radiation Analysis of Missile Exhaust Plumes Using a Turbulent-Chemistry Interaction Model

    National Research Council Canada - National Science Library

    Calhoon, W. H; Kenzakowski, D. C

    2000-01-01

    ... components and missile defense systems. Current engineering level models neglect turbulent-chemistry interactions and typically underpredict the intensity of plume afterburning and afterburning burnout...

  12. Probing flame chemistry with MBMS, theory, and modeling

    Energy Technology Data Exchange (ETDEWEB)

    Westmoreland, P.R. [Univ. of Massachusetts, Amherst (United States)

    1993-12-01

    The objective is to establish kinetics of combustion and molecular-weight growth in C{sub 3} hydrocarbon flames as part of an ongoing study of flame chemistry. Specific reactions being studied are (1) the growth reactions of C{sub 3}H{sub 5} and C{sub 3}H{sub 3} with themselves and with unsaturated hydrocarbons and (2) the oxidation reactions of O and OH with C{sub 3}`s. This approach combines molecular-beam mass spectrometry (MBMS) experiments on low-pressure flat flames; theoretical predictions of rate constants by thermochemical kinetics, Bimolecular Quantum-RRK, RRKM, and master-equation theory; and whole-flame modeling using full mechanisms of elementary reactions.

  13. Models of gas-grain chemistry in interstellar cloud cores with a stochastic approach to surface chemistry

    Science.gov (United States)

    Stantcheva, T.; Herbst, E.

    2004-08-01

    We present a gas-grain model of homogeneous cold cloud cores with time-independent physical conditions. In the model, the gas-phase chemistry is treated via rate equations while the diffusive granular chemistry is treated stochastically. The two phases are coupled through accretion and evaporation. A small network of surface reactions accounts for the surface production of the stable molecules water, formaldehyde, methanol, carbon dioxide, ammonia, and methane. The calculations are run for a time of 107 years at three different temperatures: 10 K, 15 K, and 20 K. The results are compared with those produced in a totally deterministic gas-grain model that utilizes the rate equation method for both the gas-phase and surface chemistry. The results of the different models are in agreement for the abundances of the gaseous species except for later times when the surface chemistry begins to affect the gas. The agreement for the surface species, however, is somewhat mixed. The average abundances of highly reactive surface species can be orders of magnitude larger in the stochastic-deterministic model than in the purely deterministic one. For non-reactive species, the results of the models can disagree strongly at early times, but agree to well within an order of magnitude at later times for most molecules. Strong exceptions occur for CO and H2CO at 10 K, and for CO2 at 20 K. The agreement seems to be best at a temperature of 15 K. As opposed to the use of the normal rate equation method of surface chemistry, the modified rate method is in significantly better agreement with the stochastic-deterministic approach. Comparison with observations of molecular ices in dense clouds shows mixed agreement.

  14. Structure and chemistry of model catalysts in ultrahigh vacuum

    Science.gov (United States)

    Walker, Joshua D.

    The study of catalysis is a key area of focus not only in the industrial sector but also in the nature and biological systems. The market for catalysis is a multi-billion dollar industry. Many of the materials and products we use on a daily basis are formed through a catalytic process. The quest to understanding and improving catalytic mechanisms is ongoing. Many model catalysts use transition metals as a support for chemical reactions to take place due to their selectivity and activity. Palladium, gold, and copper metals are studied in this work and show the ability to be catalytically reactive. It is important to understand the characteristics and properties of these surfaces. A well-known example of catalysis is the conversion of carbon monoxide (CO), a very harmful gas to carbon dioxide (CO2) which is less harmful. This reaction is mainly seen in the automotive industry. This reaction is investigated in this work on a Au(111) single crystal, which is normally inert but becomes reactivity with the adsorption of oxygen on the surface. Temperature Programmed Desorption (TPD) is used to understand some of the chemistry and effects with and without the addition of H2O. The oxidation of CO is shown to be enhanced by the addition of water, but warrants further analysis too fully understand the different mechanisms and reaction pathways existing. The field of nano-electronics is rapidly growing as technology continues to challenge scientists to create innovative ideas. The trend to produce smaller electronic products is increasing as consumer demands persist. It has been shown previously that 1,4-phenlyene diisocyanobenzene (1,4-PDI) on Au(111) react to form one-dimensional oligomer chains comprising alternating gold and 1,4-PDI units on the Au(111) surface. A similar compound 1,3-phenlyene diisocyanobenzene (1,3-PDI) was studied in order to investigate whether the oligomerization found for 1,4-PDI is a general phenomenon and to ultimately explore the effect of

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

    International Nuclear Information System (INIS)

    Castendyk, D.N.; Eary, L.E.; Balistrieri, L.S.

    2015-01-01

    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

  16. Can a coupled meteorology–chemistry model reproduce the ...

    Science.gov (United States)

    The ability of a coupled meteorology–chemistry model, i.e., Weather Research and Forecast and Community Multiscale Air Quality (WRF-CMAQ), to reproduce the historical trend in aerosol optical depth (AOD) and clear-sky shortwave radiation (SWR) over the Northern Hemisphere has been evaluated through a comparison of 21-year simulated results with observation-derived records from 1990 to 2010. Six satellite-retrieved AOD products including AVHRR, TOMS, SeaWiFS, MISR, MODIS-Terra and MODIS-Aqua as well as long-term historical records from 11 AERONET sites were used for the comparison of AOD trends. Clear-sky SWR products derived by CERES at both the top of atmosphere (TOA) and surface as well as surface SWR data derived from seven SURFRAD sites were used for the comparison of trends in SWR. The model successfully captured increasing AOD trends along with the corresponding increased TOA SWR (upwelling) and decreased surface SWR (downwelling) in both eastern China and the northern Pacific. The model also captured declining AOD trends along with the corresponding decreased TOA SWR (upwelling) and increased surface SWR (downwelling) in the eastern US, Europe and the northern Atlantic for the period of 2000–2010. However, the model underestimated the AOD over regions with substantial natural dust aerosol contributions, such as the Sahara Desert, Arabian Desert, central Atlantic and northern Indian Ocean. Estimates of the aerosol direct radiative effect (DRE) at TOA a

  17. Management of complex fisheries

    DEFF Research Database (Denmark)

    Frost, Hans Staby; Andersen, Peder; Hoff, Ayoe

    2013-01-01

    . This is defined as the management scheme which produces the highest net present value over a 25 year period. The assessed management schemes (scenarios) are composed by several measures as used in the Common Fisheries Policy of the European Union for the cod fishery in the Baltic Sea. The scenarios are total......The purpose of this paper is to demonstrate how fisheries economics management issues or problems can be analyzed by using a complex model based on conventional bioeconomic theory. Complex simulation models contain a number of details that make them suitable for practical management advice......, including taking into account the response of the fishermen to implemented management measures. To demonstrate the use of complex management models this paper assesses a number of second best management schemes against a first rank optimum (FRO), an ideal individual transferable quotas (ITQ) system...

  18. Van Holliday-A role model for leadership in fisheries acoustics

    Science.gov (United States)

    Karp, William A.

    2004-05-01

    Van Holliday completed his Ph.D. dissertation, entitled ``Resonance and Doppler Structure from Pelagic Fish Schools,'' in 1972. He soon published two journal articles based on this research, marking the first steps in a long, distinguished and ongoing contribution to fisheries science. He has published extensively to document his acoustic research on marine life, covering the size spectrum from plankton to marine mammals. This entire body of work is of interest to fisheries biologists who strive to understand the dynamics of populations at all trophic levels to help them better understand the fish populations they study. From this perspective, his advances in acoustic methods, technologies, and instrumentation, and his extensive biological and ecological research should all be considered important contributions to fisheries science. Trained as a physicist, his unique ability to transcend the barriers between physical and biological scientists has been elemental to his success. We recognize Van Holliday for his groundbreaking acoustic research on fish and other forms of marine life, and his scientific and technical excellence. We also recognize Van for his leadership, encouragement, mentoring, and support of colleagues and young scientists, and the vision and focus that he continues to bring to the field of fisheries acoustics worldwide.

  19. Chemistry and Climate in Asia - An Earth System Modeling Project

    Science.gov (United States)

    Barth, M. C.; Emmons, L. K.; Massie, S. T.; Pfister, G.; Romero Lankao, P.; Lamarque, J.; Carmichael, G. R.

    2011-12-01

    Asia is one of the most highly populated and economically dynamic regions in the world, with much of the population located in growing mega-cities. It is a region with significant emissions of greenhouse gases, aerosols and other pollutants, which pose high health risks to urban populations. Emissions of these aerosols and gases increased drastically over the last decade due to economic growth and urbanization and are expected to rise further in the near future. As such, the continent plays a role in influencing climate change via its effluent of aerosols and gaseous pollutants. Asia is also susceptible to adverse climate change through interactions between aerosols and clouds, which potentially can have serious implications for freshwater resources. We are developing an integrated inter-disciplinary program to focus on Asia, its climate, air quality, and impact on humans that will include connections with hydrology, ecosystems, extreme weather events, and human health. The primary goal of this project is to create a team to identify key scientific questions and establish networks of specialists to create a plan for future studies to address these questions. A second goal is to establish research facilities and a framework for investigating chemistry and climate over Asia. These facilities include producing high resolution Earth System Model simulations that have been evaluated with meteorological and chemical measurements, producing high-resolution emission inventories, analyzing satellite data, and analyzing the vulnerability of humans to air quality and extreme natural events. In this presentation we will describe in more detail these activities and discuss a future workshop on the impact of chemistry in climate on air quality and human health.

  20. 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

  1. The application of an age-structured model to the north Aegean anchovy fishery: an evaluation of different management measures.

    Science.gov (United States)

    Politikos, D V; Tzanetis, D E; Nikolopoulos, C V; Maravelias, C D

    2012-05-01

    The objective of this paper is the integration of existing biological and fishery knowledge of anchovy into a unified modelling framework in order to advance our understanding of species' population dynamics under different fishing strategies. The model simulates the anchovy biomass by combining an age-specific growth equation and a continuous age-structured population model based on the McKendrick-Von Foerster equation. Model predictions were compared to the biomass estimates and annual catches during the period 2003-2008. The present work provided direct evidence for the significance of the prespawning period as a critical life period for the management of anchovy stock in the Aegean Sea. It was found that the introduction of additional management measures could increase the profits in the long run for the fishery. However, for these to become apparent they will require a minimum of four years. Results also indicated that the reduction of fishing mortality directed at the spawning stock (recruitment overfishing) and the selective harvesting of younger individuals may be a plausible means of increasing stock's total anchovy biomass. Finally, as a criterion of long-term population survival, we have considered the mathematical notation of persistence. The numerical criteria of persistence in the present model indicated that the anchovy population could be considered viable. Copyright © 2012 Elsevier Inc. All rights reserved.

  2. GAS-GRAIN MODELS FOR INTERSTELLAR ANION CHEMISTRY

    International Nuclear Information System (INIS)

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

    2012-01-01

    Long-chain hydrocarbon anions C 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 H 2 ∼>10 5 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 C 6 H – 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 6 O, C 7 O, HC 6 O, and HC 7 O, the abundances of which depend on the assumed branching ratios for associative electron detachment.

  3. 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

  4. Effects of different representations of transport in the new EMAC-SWIFT chemistry climate model

    Science.gov (United States)

    Scheffler, Janice; Langematz, Ulrike; Wohltmann, Ingo; Kreyling, Daniel; Rex, Markus

    2017-04-01

    It is well known that the representation of atmospheric ozone chemistry in weather and climate models is essential for a realistic simulation of the atmospheric state. Interactively coupled chemistry climate models (CCMs) provide a means to realistically simulate the interaction between atmospheric chemistry and dynamics. The calculation of chemistry in CCMs, however, is computationally expensive which renders the use of complex chemistry models not suitable for ensemble simulations or simulations with multiple climate change scenarios. In these simulations ozone is therefore usually prescribed as a climatological field or included by incorporating a fast linear ozone scheme into the model. While prescribed climatological ozone fields are often not aligned with the modelled dynamics, a linear ozone scheme may not be applicable for a wide range of climatological conditions. An alternative approach to represent atmospheric chemistry in climate models which can cope with non-linearities in ozone chemistry and is applicable to a wide range of climatic states is the Semi-empirical Weighted Iterative Fit Technique (SWIFT) that is driven by reanalysis data and has been validated against observational satellite data and runs of a full Chemistry and Transport Model. SWIFT has been implemented into the ECHAM/MESSy (EMAC) chemistry climate model that uses a modular approach to climate modelling where individual model components can be switched on and off. When using SWIFT in EMAC, there are several possibilities to represent the effect of transport inside the polar vortex: the semi-Lagrangian transport scheme of EMAC and a transport parameterisation that can be useful when using SWIFT in models not having transport of their own. Here, we present results of equivalent simulations with different handling of transport, compare with EMAC simulations with full interactive chemistry and evaluate the results with observations.

  5. Integrating individual trip planning in energy efficiency – Building decision tree models for Danish fisheries

    DEFF Research Database (Denmark)

    Bastardie, Francois; Nielsen, J. Rasmus; Andersen, Bo Sølgaard

    2013-01-01

    integrate detailed information on vessel distribution, catch and fuel consumption for different fisheries with a detailed resource distribution of targeted stocks from research surveys to evaluate the optimum consumption and efficiency to reduce fuel costs and the costs of displacement of effort. The energy......-intensive but efficient vessels conducting pelagic or industrial fishing are more inclined to base their decision on fish price only, while numerous smaller and less efficient vessels conducting demersal mixed or crustacean fishery usually consider other flexible factors, e.g., the potential for a large catch, weather...... the adaptations of individual fishermen to resource availability dynamics, increasing fuel prices, changes in regulations, and the consequences of socioeconomic external pressures on harvested stocks. A new methodology is described here to obtain quantitative information on the fishermen’s micro-scale decisions...

  6. 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.

  7. Modeling Studies on Microbial Effects on Groundwater Chemistry

    International Nuclear Information System (INIS)

    Yoshikatsu Tochigi; Hideki Yoshikawa; Mikazu Yui

    2007-01-01

    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)

  8. International Fisheries Agreements

    DEFF Research Database (Denmark)

    Pintassilgo, Pedro; Kronbak, Lone Grønbæk; Lindroos, Marko

    2015-01-01

    This paper surveys the application of game theory to the economic analysis of international fisheries agreements. The relevance of this study comes not only from the existence of a vast literature on the topic but especially from the specific features of these agreements. The emphasis of the survey...... is on coalition games, an approach that has become prominent in the fisheries economics literature over the last decade. It is shown that coalition games were first applied to international fisheries agreements in the late 1990s addressing cooperative issues under the framework of characteristic function games....... Then, progres- sively, this cooperative approach was combined with non-cooperative elements such as the stability analysis of the agreements. Finally, partition function games, which model coalition formation endogenously, were introduced and became the standard approach to study the formation...

  9. Modeling the chemistry of plasma polymerization using mass spectrometry.

    Science.gov (United States)

    Ihrig, D F; Stockhaus, J; Scheide, F; Winkelhake, Oliver; Streuber, Oliver

    2003-04-01

    The goal of the project is a solvent free painting shop. The environmental technologies laboratory is developing processes of plasma etching and polymerization. Polymerized thin films are first-order corrosion protection and primer for painting. Using pure acetylene we get very nice thin films which were not bonded very well. By using air as bulk gas it is possible to polymerize, in an acetylene plasma, well bonded thin films which are stable first-order corrosion protections and good primers. UV/Vis spectroscopy shows nitrogen oxide radicals in the emission spectra of pure nitrogen and air. But nitrogen oxide is fully suppressed in the presence of acetylene. IR spectroscopy shows only C=O, CH(2) and CH(3) groups but no nitrogen species. With the aid of UV/Vis spectra and the chemistry of ozone formation it is possible to define reactive traps and steps, molecule depletion and processes of proton scavenging and proton loss. Using a numerical model it is possible to evaluate these processes and to calculate theoretical mass spectra. Adjustment of theoretical mass spectra to real measurements leads to specific channels of polymerization which are driven by radicals especially the acetyl radical. The estimated theoretical mass spectra show the specific channels of these chemical processes. It is possible to quantify these channels. This quantification represents the mass flow through this chemical system. With respect to these chemical processes it is possible to have an idea of pollutant production processes.

  10. Developing computational model-based diagnostics to analyse clinical chemistry data

    NARCIS (Netherlands)

    Schalkwijk, D.B. van; Bochove, K. van; Ommen, B. van; Freidig, A.P.; Someren, E.P. van; Greef, J. van der; Graaf, A.A. de

    2010-01-01

    This article provides methodological and technical considerations to researchers starting to develop computational model-based diagnostics using clinical chemistry data.These models are of increasing importance, since novel metabolomics and proteomics measuring technologies are able to produce large

  11. Adapting authentic science practices into contexts for learning: The case of models and modelling in pre-university chemistry education

    NARCIS (Netherlands)

    Prins, G.T.; Pilot, A.

    2013-01-01

    This research study explores the potential benefits of using authentic modelling practices as contexts for learning in chemistry education. An authentic modelling practice is characterized as professionals sharing common purposes, working to a similar type of modelling procedure, while applying

  12. SMART: a spatially explicit bio-economic model for assessing and managing demersal fisheries, with an application to italian trawlers in the strait of sicily.

    Directory of Open Access Journals (Sweden)

    Tommaso Russo

    Full Text Available Management of catches, effort and exploitation pattern are considered the most effective measures to control fishing mortality and ultimately ensure productivity and sustainability of fisheries. Despite the growing concerns about the spatial dimension of fisheries, the distribution of resources and fishing effort in space is seldom considered in assessment and management processes. Here we propose SMART (Spatial MAnagement of demersal Resources for Trawl fisheries, a tool for assessing bio-economic feedback in different management scenarios. SMART combines information from different tasks gathered within the European Data Collection Framework on fisheries and is composed of: 1 spatial models of fishing effort, environmental characteristics and distribution of demersal resources; 2 an Artificial Neural Network which captures the relationships among these aspects in a spatially explicit way and uses them to predict resources abundances; 3 a deterministic module which analyzes the size structure of catches and the associated revenues, according to different spatially-based management scenarios. SMART is applied to demersal fishery in the Strait of Sicily, one of the most productive fisheries of the Mediterranean Sea. Three of the main target species are used as proxies for the whole range exploited by trawlers. After training, SMART is used to evaluate different management scenarios, including spatial closures, using a simulation approach that mimics the recent exploitation patterns. Results evidence good model performance, with a noteworthy coherence and reliability of outputs for the different components. Among others, the main finding is that a partial improvement in resource conditions can be achieved by means of nursery closures, even if the overall fishing effort in the area remains stable. Accordingly, a series of strategically designed areas of trawling closures could significantly improve the resource conditions of demersal fisheries in

  13. SMART: a spatially explicit bio-economic model for assessing and managing demersal fisheries, with an application to italian trawlers in the strait of sicily.

    Science.gov (United States)

    Russo, Tommaso; Parisi, Antonio; Garofalo, Germana; Gristina, Michele; Cataudella, Stefano; Fiorentino, Fabio

    2014-01-01

    Management of catches, effort and exploitation pattern are considered the most effective measures to control fishing mortality and ultimately ensure productivity and sustainability of fisheries. Despite the growing concerns about the spatial dimension of fisheries, the distribution of resources and fishing effort in space is seldom considered in assessment and management processes. Here we propose SMART (Spatial MAnagement of demersal Resources for Trawl fisheries), a tool for assessing bio-economic feedback in different management scenarios. SMART combines information from different tasks gathered within the European Data Collection Framework on fisheries and is composed of: 1) spatial models of fishing effort, environmental characteristics and distribution of demersal resources; 2) an Artificial Neural Network which captures the relationships among these aspects in a spatially explicit way and uses them to predict resources abundances; 3) a deterministic module which analyzes the size structure of catches and the associated revenues, according to different spatially-based management scenarios. SMART is applied to demersal fishery in the Strait of Sicily, one of the most productive fisheries of the Mediterranean Sea. Three of the main target species are used as proxies for the whole range exploited by trawlers. After training, SMART is used to evaluate different management scenarios, including spatial closures, using a simulation approach that mimics the recent exploitation patterns. Results evidence good model performance, with a noteworthy coherence and reliability of outputs for the different components. Among others, the main finding is that a partial improvement in resource conditions can be achieved by means of nursery closures, even if the overall fishing effort in the area remains stable. Accordingly, a series of strategically designed areas of trawling closures could significantly improve the resource conditions of demersal fisheries in the Strait of

  14. CROATIAN FISHERIES IN 2004

    OpenAIRE

    Irena Jahutka; Ante Mišura; Josip Suić; Vlasta Frančević; Zlatko Homen; Josip Marković

    2005-01-01

    This work deals with all the relevant statistic data regarding fisheries of Republic of Croatia, including freshwater fisheries data (aquaculture of fish and other aquatic organisms, commercial and sports fisheries), marine fisheries data (mariculture, commercial fisheries, small–scale fisheries and processing of fish and other marine organisms), as well as data about import and export of fish and fish products and the data about financial subventions in fisheries. Regarding aquaculture (fres...

  15. Location of power stations and measures for local people model analysis concerning location negotiation with local fishery association

    International Nuclear Information System (INIS)

    Wakatani, Yoshifumi; Yamanaka, Yoshiro

    1982-01-01

    The recent negotiation of enterprisers and local people concerning the location of power stations tends to extend for long period because of diversified arguing points and the information exchange of high density, and also to be complicated by the interrelation with other points. It is a large problem to seek the policy of such negotiation for enterprisers to respond to local people. In this study, as the first step, the policy and action appeared in location negotiations and the development of the negotiations were analyzed on the cases of location, and two kinds of the model analysis were carried out, taking fishery compensation negotiation as the object among them. The knowledge was obtained about what response to local fishery associations is effective to promote the location. The classification of location negotiation and the factors affecting the development of negotiation were investigated. It was shown to be effective to divide the process of location negotiation into five stages of advancement. The model analysis was carried out according to game theory and by gaming simulation method. The results are reported. (Kako, I.)

  16. Modelling the sequential geographical exploitation and potential collapse of marine fisheries through economic globalization, climate change and management alternatives

    Directory of Open Access Journals (Sweden)

    Gorka Merino

    2011-07-01

    Full Text Available Global marine fisheries production has reached a maximum and may even be declining. Underlying this trend is a well-understood sequence of development, overexploitation, depletion and in some instances collapse of individual fish stocks, a pattern that can sequentially link geographically distant populations. Ineffective governance, economic considerations and climate impacts are often responsible for this sequence, although the relative contribution of each factor is contentious. In this paper we use a global bioeconomic model to explore the synergistic effects of climate variability, economic pressures and management measures in causing or avoiding this sequence. The model shows how a combination of climate-induced variability in the underlying fish population production, particular patterns of demand for fish products and inadequate management is capable of driving the world’s fisheries into development, overexploitation, collapse and recovery phases consistent with observations. Furthermore, it demonstrates how a sequential pattern of overexploitation can emerge as an endogenous property of the interaction between regional environmental fluctuations and a globalized trade system. This situation is avoidable through adaptive management measures that ensure the sustainability of regional production systems in the face of increasing global environmental change and markets. It is concluded that global management measures are needed to ensure that global food supply from marine products is optimized while protecting long-term ecosystem services across the world’s oceans.

  17. The global chemistry transport model TM5: description and evaluation of the tropospheric chemistry version 3.0

    Directory of Open Access Journals (Sweden)

    V. Huijnen

    2010-10-01

    Full Text Available We present a comprehensive description and benchmark evaluation of the tropospheric chemistry version of the global chemistry transport model TM5 (Tracer Model 5, version TM5-chem-v3.0. A full description is given concerning the photochemical mechanism, the interaction with aerosol, the treatment of the stratosphere, the wet and dry deposition parameterizations, and the applied emissions. We evaluate the model against a suite of ground-based, satellite, and aircraft measurements of components critical for understanding global photochemistry for the year 2006.

    The model exhibits a realistic oxidative capacity at a global scale. The methane lifetime is ~8.9 years with an associated lifetime of methyl chloroform of 5.86 years, which is similar to that derived using an optimized hydroxyl radical field.

    The seasonal cycle in observed carbon monoxide (CO is well simulated at different regions across the globe. In the Northern Hemisphere CO concentrations are underestimated by about 20 ppbv in spring and 10 ppbv in summer, which is related to missing chemistry and underestimated emissions from higher hydrocarbons, as well as to uncertainties in the seasonal variation of CO emissions. The model also captures the spatial and seasonal variation in formaldehyde tropospheric columns as observed by SCIAMACHY. Positive model biases over the Amazon and eastern United States point to uncertainties in the isoprene emissions as well as its chemical breakdown.

    Simulated tropospheric nitrogen dioxide columns correspond well to observations from the Ozone Monitoring Instrument in terms of its seasonal and spatial variability (with a global spatial correlation coefficient of 0.89, but TM5 fields are lower by 25–40%. This is consistent with earlier studies pointing to a high bias of 0–30% in the OMI retrievals, but uncertainties in the emission inventories have probably also contributed to the discrepancy.

    TM5 tropospheric

  18. 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.

  19. Analysis of a Fishery Model with two competing prey species in the presence of a predator species for Optimal Harvesting

    Science.gov (United States)

    Sutimin; Khabibah, Siti; Munawwaroh, Dita Anis

    2018-02-01

    A harvesting fishery model is proposed to analyze the effects of the presence of red devil fish population, as a predator in an ecosystem. In this paper, we consider an ecological model of three species by taking into account two competing species and presence of a predator (red devil), the third species, which incorporates the harvesting efforts of each fish species. The stability of the dynamical system is discussed and the existence of biological and bionomic equilibrium is examined. The optimal harvest policy is studied and the solution is derived in the equilibrium case applying Pontryagin's maximal principle. The simulation results is presented to simulate the dynamical behavior of the model and show that the optimal equilibrium solution is globally asymptotically stable. The results show that the optimal harvesting effort is obtained regarding to bionomic and biological equilibrium.

  20. Evaluating targets and trade-offs among fisheries and conservation objectives using a multispecies size spectrum model

    DEFF Research Database (Denmark)

    Blanchard, J.L.; Andersen, Ken Haste; Scott, F.

    2014-01-01

    Marine environmental management policies seek to ensure that fishing impacts on fished populations and other components of the ecosystem are sustainable, to simultaneously meet objectives for fisheries and conservation. For example, in Europe, targets for (i) biodiversity, (ii) food web structure...... by knowledge on the consequences of alternate management actions. We develop, calibrate and apply a multispecies size spectrum model of the North Sea fish community to assess the response of populations and the community to fishing. The model predicts species' size distributions, abundance, productivity...... populations at FMSY than if status quo (2010) fishing rates are maintained. The probability of achieving a food web target was 60% under both scenarios in spite of major community restructuring revealed by other indicators of community size structure. Synthesis and applications. Our model can be applied...

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

    International Nuclear Information System (INIS)

    Pfingsten, W.

    1994-06-01

    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

  2. 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.

  3. Understanding Differences in Chemistry Climate Model Projections 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 project future evolution of stratospheric ozone as concentrations of ozone-depleting substances (ODSs) decrease and greenhouse gases increase, cooling the stratosphere. CCM projections exhibit not only 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 ODS concentration change from that due to climate change. We show that the sensitivity of lower stratospheric ozone to chlorine change Delta Ozone/Delta inorganic chlorine is a near-linear function of partitioning of total inorganic chlorine into its reservoirs; both inorganic chlorine and its partitioning are largely controlled by lower stratospheric transport. CCMs with best performance on transport diagnostics agree with observations for chlorine reservoirs and produce similar ozone responses to chlorine change. After 2035, differences in Delta Ozone/Delta inorganic chlorine contribute little to the spread in CCM projections as the anthropogenic contribution to inorganic chlorine becomes unimportant. Differences among upper stratospheric ozone increases due to temperature decreases are explained by differences in ozone sensitivity to temperature change Delta Ozone/Delta T due to different contributions from various ozone loss processes, each with its own temperature dependence. Ozone decrease in the tropical lower stratosphere caused by a projected speedup in the Brewer-Dobson circulation may or may not be balanced by ozone increases in the middle- and high-latitude lower stratosphere and upper troposphere. This balance, or lack thereof, contributes most to the spread in late 21st century projections.

  4. The Scotia Sea krill fishery and its possible impacts on dependent predators: modeling localized depletion of prey.

    Science.gov (United States)

    Plagányi, Eva E; Butterworth, Doug S

    2012-04-01

    The nature and impact of fishing on predators that share a fished resource is an important consideration in ecosystem-based fisheries management. Krill (Euphausia superba) is a keystone species in the Antarctic, serving as a fundamental forage source for predators and simultaneously being subject to fishing. We developed a spatial multispecies operating model (SMOM) of krill-predator fishery dynamics to help advise on allocation of the total krill catch among 15 small-scale management units (SSMUs) in the Scotia Sea, with a goal to reduce the potential impact of fishing on krill predators. The operating model describes the underlying population dynamics and is used in simulations to compare different management options for adjusting fishing activities (e.g., a different spatial distribution of catches). The numerous uncertainties regarding the choice of parameter values pose a major impediment to constructing reliable ecosystem models. The pragmatic solution proposed here involves the use of operating models that are composed of alternative combinations of parameters that essentially try to bound the uncertainty in, for example, the choice of survival rate estimates as well as the functional relationships between predators and prey. Despite the large uncertainties, it is possible to discriminate the ecosystem impacts of different spatial fishing allocations. The spatial structure of the model is fundamental to addressing concerns of localized depletion of prey in the vicinity of land-based predator breeding colonies. Results of the model have been considered in recent management deliberations for spatial allocations of krill catches in the Scotia Sea and their associated impacts on dependent predator species.

  5. Modeling of iodine radiation chemistry in the presence of organic compounds

    International Nuclear Information System (INIS)

    Taghipour, Fariborz; Evans, Greg J.

    2002-01-01

    A kinetic-based model was developed that simulates the radiation chemistry of iodine in the presence of organic compounds. The model's mechanistic description of iodine chemistry and generic semi-mechanistic reactions for various classes of organics, provided a reasonable representation of experimental results. The majority of the model and experimental results of iodine volatilization rates were in agreement within an order of magnitude

  6. Fisheries management under nutrient influence

    DEFF Research Database (Denmark)

    Hammarlund, Cecilia; Nielsen, Max; Waldo, Staffan

    2018-01-01

    A fisheries management model that identifies the economic optimal management of fisheries under the influence of nutrients is presented. The model starts from the idea that growth in fish biomass increases with increasing availability of nutrients owing to higher food availability up to a peak......, after which growth falls due to eutrophication. The model is applied to Swedish and Danish cod fisheries in the Western Baltic Sea and identifies the welfare contribution of the fisheries, measured as the sum of resource rent and producer surplus. In 2010, the welfare contribution was −28......% of the landing value. Maximizing the model with respect to effort alone and additionally over nitrogen concentration increases the contribution to 11% of the landing value in 2010. The analysis shows that the welfare effect of reducing fishing effort through management reforms is large, but that the effect...

  7. Implementation of marine halogen chemistry into the Community Multiscale Air Quality (CMAQ) model

    Science.gov (United States)

    Gantt, B.; Sarwar, G.

    2017-12-01

    In two recent studies (Sarwar et al, 2015 and Gantt et al., 2017), the impact of marine halogen (bromine and iodine) chemistry on air quality has been evaluated using the Community Multiscale Air Quality (CMAQ) model. We found that marine halogen chemistry not only has the expected effect of reducing marine boundary layer ozone concentrations, but also reduces ozone in the free troposphere and inland from the coast. In Sarwar et al. (2015), the impact of the halogen chemistry without and with photochemical reactions of higher iodine oxides over the Northern Hemisphere was examined using the coarse horizontal grids of a hemispheric domain. Halogen chemistry without and with the photochemical reactions of higher iodine oxides reduces ozone over seawater by 15% and 48%, respectively. Using the results of the chemistry without the photochemical reactions of higher iodine oxides, we developed a simple first order ozone loss rate and implemented it into the public version of CMAQv52. In Gantt et al. (2017), the impact of the simple first order loss rate as well as the full halogen chemistry without photochemical reactions of higher iodine oxides over the continental United States was examined using finer horizontal grids of the regional domain and boundary conditions from the hemispheric domain with and without marine halogen chemistry. The boundary conditions obtained with the halogen chemistry as well as the simple halogen chemistry reduces ozone along the coast where CMAQ typically overpredicts the concentrations. Development of halogen chemistry in CMAQ has continued with the implementation of several heterogeneous reactions of bromine and iodine species, revised reactions of higher iodine oxides, and a refined marine halogen emissions inventory. Our latest version of halogen chemistry with photochemical reactions of higher iodine oxides reduces ozone by 23% over the seawater. This presentation will discuss the previous and ongoing implementation of revised halogen

  8. 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.

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

    International Nuclear Information System (INIS)

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

    2013-01-01

    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)×10 9 , (1.07±0.07)×10 10 , (7.48±0.17)×10 9 , (7.31±0.29)×10 9 , (5.47±0.25)×10 9 , (6.94±0.10)×10 9 (M −1 s −1 ), respectively. The hydrated electron reaction rate constants were measured (3.02±0.10)×10 9 , (8.98±0.27)×10 9 , (5.39±0.21)×10 9 , (4.33±0.17)×10 9 , (4.72±0.15)×10 9 , (1.42±0.02)×10 9 (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

  10. The Extrapolar SWIFT model (version 1.0): fast stratospheric ozone chemistry for global climate models

    Science.gov (United States)

    Kreyling, Daniel; Wohltmann, Ingo; Lehmann, Ralph; Rex, Markus

    2018-03-01

    The Extrapolar SWIFT model is a fast ozone chemistry scheme for interactive calculation of the extrapolar stratospheric ozone layer in coupled general circulation models (GCMs). In contrast to the widely used prescribed ozone, the SWIFT ozone layer interacts with the model dynamics and can respond to atmospheric variability or climatological trends.The Extrapolar SWIFT model employs a repro-modelling approach, in which algebraic functions are used to approximate the numerical output of a full stratospheric chemistry and transport model (ATLAS). The full model solves a coupled chemical differential equation system with 55 initial and boundary conditions (mixing ratio of various chemical species and atmospheric parameters). Hence the rate of change of ozone over 24 h is a function of 55 variables. Using covariances between these variables, we can find linear combinations in order to reduce the parameter space to the following nine basic variables: latitude, pressure altitude, temperature, overhead ozone column and the mixing ratio of ozone and of the ozone-depleting families (Cly, Bry, NOy and HOy). We will show that these nine variables are sufficient to characterize the rate of change of ozone. An automated procedure fits a polynomial function of fourth degree to the rate of change of ozone obtained from several simulations with the ATLAS model. One polynomial function is determined per month, which yields the rate of change of ozone over 24 h. A key aspect for the robustness of the Extrapolar SWIFT model is to include a wide range of stratospheric variability in the numerical output of the ATLAS model, also covering atmospheric states that will occur in a future climate (e.g. temperature and meridional circulation changes or reduction of stratospheric chlorine loading).For validation purposes, the Extrapolar SWIFT model has been integrated into the ATLAS model, replacing the full stratospheric chemistry scheme. Simulations with SWIFT in ATLAS have proven that the

  11. Integrating Character Education Model With Spiral System In Chemistry Subject

    Science.gov (United States)

    Hartutik; Rusdarti; Sumaryanto; Supartono

    2017-04-01

    Integrating character education is the responsibility of all subject teachers including chemistry teacher. The integration of character education is just administrative requirements so that the character changes are not measurable. The research objective 1) describing the actual conditions giving character education, 2) mapping the character integration of chemistry syllabus with a spiral system, and 3) producing syllabus and guide system integrating character education in chemistry lessons. Of the eighteen value character, each character is mapped to the material chemistry value concepts of class X and repeated the system in class XI and class XII. Spiral system integration means integrating the character values of chemistry subjects in steps from class X to XII repeatedly at different depth levels. Besides developing the syllabus, also made the integration of characters in a learning guide. This research was designed with research and development [3] with the scope of 20 chemistry teachers in Semarang. The focus of the activities is the existence of the current character study, mapping the character values in the syllabus, and assessment of the integration guides of character education. The validity test of Syllabus and Lesson Plans by experts in FGD. The data were taken with questionnaire and interviews, then processed by descriptive analysis. The result shows 1) The factual condition, in general, the teachers designed learning one-time face-to-face with the integration of more than four characters so that behaviour changes and depth of character is poorly controlled, 2) Mapping each character values focused in the syllabus. Meaning, on one or two basic competence in four or five times, face to face, enough integrated with the value of one character. In this way, there are more noticeable changes in students behaviour. Guidance is needed to facilitate the integration of character education for teachers integrating systems. Product syllabus and guidelines

  12. Introduction to fisheries oceanography

    Digital Repository Service at National Institute of Oceanography (India)

    Sumitra-Vijayaraghavan

    Fisheries oceanography can be applied to fisheries ecology, fisheries management and practical fishing. Physico-chemical parameters of the environment (temperature, currents, waves, light, oxygen and salinity) have profound effect on fish...

  13. CROATIAN FISHERIES IN 2005

    Directory of Open Access Journals (Sweden)

    Irena Jahutka

    2006-10-01

    Full Text Available This work deals with all the relevant statistic data regarding fisheries of Republic of Croatia, including freshwater fisheries data (aquaculture of fish and other aquatic organisms, commercial and sports fisheries, marine fisheries data (mariculture, commercial fisheries, small–scale fisheries and processing of fish and other marine organisms, as well as data about import and export of fish and fish products and the data about financial subventions in fisheries. Regarding aquaculture (freshwater fish farming in 2005. there have been noticed slight production increase (both warmwater and coldwater fish species. The total freshwater fish production in 2005. was 6,199 tons (4,776 tons of warm–water species and 1,423 tons of cold–water species. Total areas and production areas were decreased comparing to 2004. (in all categories of production areas except for consum–fish production areas, where a slight increase has been noticed. Total catch of freshwater fish in 2005. was 656 tons. The total marine fish species production in 2005. was 3,000 tons, production of tuna 4,000 tons, mussels 2,500 tons and oysters 800,000 pieces. In mariculture sector there has been noticed the biggest increase in fish–fry production (43.39% comparing to 2004., in 2005. it was 10,000,000 pieces. The catch of marine fish was increased by 8.50% comparing to 2004. (increase was noticed for white and blue fish species. During 2005. there were no significant changes regarding the number of commercial fishermen comparing to the last two years, while the number of small–scale fishermen decreased 3.80% comparing to the last year. The total production of fish products in 2005. as 16,945 tons, which is 31.65% more comparing to 2004. In this sector the most significant is the increase of salted fish production, which was 56.11% more than 2004. The value of import in 2005. was higher than the value of export, which represents the only exception in last decade. The

  14. Climate variability and change scenarios for a marine commodity: Modelling small pelagic fish, fisheries and fishmeal in a globalized market

    Science.gov (United States)

    Merino, Gorka; Barange, Manuel; Mullon, Christian

    2010-04-01

    The world's small pelagic fish populations, their fisheries, fishmeal and fish oil production industries and markets are part of a globalised production and consumption system. The potential for climate variability and change to alter the balance in this system is explored by means of bioeconomic models at two different temporal scales, with the objective of investigating the interactive nature of environmental and human-induced changes on this globalised system. Short-term (interannual) environmental impacts on fishmeal production are considered by including an annual variable production rate on individual small pelagic fish stocks over a 10-year simulation period. These impacts on the resources are perceived by the fishmeal markets, where they are confronted by two aquaculture expansion hypotheses. Long-term (2080) environmental impacts on the same stocks are estimated using long-term primary production predictions as proxies for the species' carrying capacities, rather than using variable production rates, and are confronted on the market side by two alternative fishmeal management scenarios consistent with IPCC-type storylines. The two scenarios, World Markets and Global Commons, are parameterized through classic equilibrium solutions for a global surplus production bioeconomic model, namely maximum sustainable yield and open access, respectively. The fisheries explicitly modelled in this paper represent 70% of total fishmeal production, thus encapsulating the expected dynamics of the global production and consumption system. Both short and long-term simulations suggest that the sustainability of the small pelagic resources, in the face of climate variability and change, depends more on how society responds to climate impacts than on the magnitude of climate alterations per se.

  15. Ethics in Chemistry: Business Models, Risk Management and Governance

    OpenAIRE

    Moser, Frank

    2015-01-01

    The present PhD thesis analyses the topic of ‘Ethics in Chemistry’ by addressing the question of the extent to which activities undertaken in the past decades by chemical industry, universities in chemistry education and the international community in regulating chemical substances took into account ethical approaches. Building on a sociological approach, the area of ‘Chemistry’ is considered as an example of a Large Technological System (LTS), which is believed to be a social ...

  16. Online coupled regional meteorology chemistry models in Europe : Current status and prospects

    NARCIS (Netherlands)

    Baklanov, A.; Schlünzen, K.; 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.S.; Solazzo, E.; Solomos, S.; Sørensen, B.; Tsegas, G.; Vignati, E.; Vogel, B.; Zhang, Y.

    2014-01-01

    Online coupled mesoscale meteorology atmospheric chemistry models have undergone a rapid evolution in recent years. Although mainly developed by the air quality modelling community, these models are also of interest for numerical weather prediction and regional climate modelling as they can consider

  17. Model for gas phase chemistry in interstellar clouds: I. The basic model, library of chemical reactions, and chemistry among C, N, and O compounds

    International Nuclear Information System (INIS)

    Prasad, S.S.; Huntress, W.T. Jr.

    1980-01-01

    A time-dependent gas phase chemical model of the chemistry in interstellar clouds is presented which uses a comprehensive library consisting of over 1400 reactions for 137 species. Specified constant density, temperature, and radiation field intensity are used to generate the evolution with time of these species for 10 7 years in four model clouds to simulate the outer and inner components of zeta Oph and of Orion. No a priori assumptions are made concerning production and loss mechanisms, and the algorithm decides which are the major processes from an extensive list of potential production and loss mechanisms for each species. The C, N, and O families of chemical species are discussed in detail with particular emphasis on production and loss processes, and on the interrelationships among the chemistries of these families. A number of diagrams are used to illustrate the chemistry in interstellar clouds resulting from the models. The utility of the model is that it allows for easy testing of schemes for the chemistry and chemical evolution in interstellar clouds

  18. Chemistry and physics

    International Nuclear Information System (INIS)

    Broerse, J.J.; Barendsen, G.W.; Kal, H.B.; Kogel, A.J. van der

    1983-01-01

    This book contains the extended abstracts of the contributions of the poster workshop sessions on chemistry and physics of the 7th international congress of radiation research. They cover the following main topics: primary processes in radiation physics and chemistry, general chemistry in radiation chemistry, DNA and model systems in radiation chemistry, molecules of biological interest in radiation chemistry, techniques in radiation chemistry, hot atom chemistry. refs.; figs.; tabs

  19. Incentivising selective fishing under catch quotas: using an FCube modelling approach to evaluate management options for North Sea mixed fisheries

    DEFF Research Database (Denmark)

    Condie, Harriet M.; Dolder, Paul J.; Catchpole, Thomas L.

    Reforms of EU Common Fisheries Policy will make fundamental changes to European fisheries management, including a discard ban with catch quotas for regulated species and management to achieve MSY. We evaluate the impact of these changes on revenue of North Sea demersal finfish fleets and fish...

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

    Directory of Open Access Journals (Sweden)

    R. Hein

    2001-04-01

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

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

    Directory of Open Access Journals (Sweden)

    R. Hein

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

  2. Mixed fisheries forecasts – lessons learned from their initial application to North Sea fisheries

    DEFF Research Database (Denmark)

    Holmes, Steven J.; Ulrich, Clara; Reeves, Stuart A.

    2012-01-01

    contributed to the lack of recovery of the North Sea cod stock. The implementation of mixed-fishery forecasts which account for the fishery complexity and thus allow mixed-fishery effects to be modelled has posed a number of challenges relating to issues such as data requirements and the need to integrate...... the work with the existing single stock assessments. The explicit representation of the complexity of the fisheries also raises questions about the extent to which mixed fisheries science can be used to give „advice‟ in the traditional sense. This paper addresses the challenges and issues that have arisen...

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

    Science.gov (United States)

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

    2016-01-01

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

  4. MODELLING THE POTENTIAL DISTRIBUTION AND RICHNESS OF CETACEANS IN THE AZORES FROM FISHERIES OBSERVER PROGRAM DATA

    Directory of Open Access Journals (Sweden)

    Marta Tobeña

    2016-10-01

    Full Text Available Marine spatial planning and ecological research call for high-resolution species distribution data. However, those data are still not available for most marine large vertebrates. The dynamic nature of oceanographic processes and the wide-ranging behavior of many marine vertebrates create further difficulties, as distribution data must incorporate both the spatial and temporal dimensions. Cetaceans play an essential role in structuring and maintaining marine ecosystems and face increasing threats from human activities. The Azores holds a high diversity of cetaceans but the information about spatial and temporal patterns of distribution for this marine megafauna group in the region is still very limited. To tackle this issue, we created monthly predictive cetacean distribution maps for spring and summer months, using data collected by the Azores Fisheries Observer Programme between 2004 and 2009. We then combined the individual predictive maps to obtain species richness maps for the same period. Our results reflect a great heterogeneity in distribution among species and within species among different months. This heterogeneity reflects a contrasting influence of oceanographic processes on the distribution of cetacean species. However, some persistent areas of increased species richness could also be identified from our results. We argue that policies aimed at effectively protecting cetaceans and their habitats must include the principle of dynamic ocean management coupled with other area-based management such as marine spatial planning.

  5. Climate effects of anthropogenic sulfate: Simulations from a coupled chemistry/climate model

    International Nuclear Information System (INIS)

    Chuang, C.C.; Penner, J.E.; Taylor, K.E.; Walton, J.J.

    1993-09-01

    In this paper, we use a more comprehensive approach by coupling a climate model with a 3-D global chemistry model to investigate the forcing by anthropogenic aerosol sulfate. The chemistry model treats the global-scale transport, transformation, and removal of SO 2 , DMS and H 2 SO 4 species in the atmosphere. The mass concentration of anthropogenic sulfate from fossil fuel combustion and biomass burning is calculated in the chemistry model and provided to the climate model where it affects the shortwave radiation. We also investigate the effect, with cloud nucleation parameterized in terms of local aerosol number, sulfate mass concentration and updraft velocity. Our simulations indicate that anthropogenic sulfate may result in important increases in reflected solar radiation, which would mask locally the radiative forcing from increased greenhouse gases. Uncertainties in these results will be discussed

  6. Climate effects of anthropogenic sulfate: Simulations from a coupled chemistry/climate model

    Energy Technology Data Exchange (ETDEWEB)

    Chuang, C.C.; Penner, J.E.; Taylor, K.E.; Walton, J.J.

    1993-09-01

    In this paper, we use a more comprehensive approach by coupling a climate model with a 3-D global chemistry model to investigate the forcing by anthropogenic aerosol sulfate. The chemistry model treats the global-scale transport, transformation, and removal of SO{sub 2}, DMS and H{sub 2}SO{sub 4} species in the atmosphere. The mass concentration of anthropogenic sulfate from fossil fuel combustion and biomass burning is calculated in the chemistry model and provided to the climate model where it affects the shortwave radiation. We also investigate the effect, with cloud nucleation parameterized in terms of local aerosol number, sulfate mass concentration and updraft velocity. Our simulations indicate that anthropogenic sulfate may result in important increases in reflected solar radiation, which would mask locally the radiative forcing from increased greenhouse gases. Uncertainties in these results will be discussed.

  7. 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…

  8. 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…

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

    International Nuclear Information System (INIS)

    Muurinen, A.; Lehikoinen, J.

    1997-01-01

    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.)

  10. 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.

  11. Modelling of the local chemistry in stagnant areas in the PWR primary circuit

    International Nuclear Information System (INIS)

    Reid, Rick; Fruzzetti, Keith; Ahluwalia, Al; Summe, Alex; Dame, Cecile; Schmitt, Kyle

    2014-01-01

    MRP-236 demonstrated a correlation between stagnant or low flow conditions and stress corrosion cracking (SCC) of stainless steel components in the PWR primary system. Of the approximately 140 SCC events documented (affecting 15 different components), 83% involved stagnant or low flow conditions that were likely to be associated with chemical environments different from the well mixed bulk coolant. The chemistry in such locations is typically not monitored, and sampling is difficult or impossible. Actions to improve chemistry in regions of low or no coolant flow, such as flushing, cycling of components and imposition of more stringent make up water chemistry controls affect both operational costs and outage schedules. Similarly, design changes to improve flow in affected areas are costly or impracticable. Improving the understanding of the factors controlling chemistry in such areas and development of the capability to predict typical and worst case conditions will allow an informed assessment of procedural actions and/or design changes to improve local chemistry and thereby reduce SCC susceptibility. A project was undertaken to develop a model to predict local chemistry conditions in stagnant locations. The model comprises the iterative application of the EPRI MULTEQ solution chemistry equilibrium code and standard thermodynamic relationships to predict local chemistry conditions considered likely to have been present at the surfaces of components when SCC was initiated. The starting chemistry conditions are based on PWR primary system chemistry from different plant maneuvers (e.g., startup and shutdown conditions). The model was applied to three example components where SCC has occurred in the field. The selected components were: control rod drive mechanism canopy seals; valve drain lines; and reactor vessel o-ring leak-off lines. This paper provides a summary of the model and predicted local chemistry conditions that develop for the three example component as a

  12. CO2 conversion by plasma technology: insights from modeling the plasma chemistry and plasma reactor design

    Science.gov (United States)

    Bogaerts, A.; Berthelot, A.; Heijkers, S.; Kolev, St.; Snoeckx, R.; Sun, S.; Trenchev, G.; Van Laer, K.; Wang, W.

    2017-06-01

    In recent years there has been growing interest in the use of plasma technology for CO2 conversion. To improve this application, a good insight into the underlying mechanisms is of great importance. This can be obtained from modeling the detailed plasma chemistry in order to understand the chemical reaction pathways leading to CO2 conversion (either in pure form or mixed with another gas). Moreover, in practice, several plasma reactor types are being investigated for CO2 conversion, so in addition it is essential to be able to model these reactor geometries so that their design can be improved, and the most energy efficient CO2 conversion can be achieved. Modeling the detailed plasma chemistry of CO2 conversion in complex reactors is, however, very time-consuming. This problem can be overcome by using a combination of two different types of model: 0D chemical reaction kinetics models are very suitable for describing the detailed plasma chemistry, while the characteristic features of different reactor geometries can be studied by 2D or 3D fluid models. In the first instance the latter can be developed in argon or helium with a simple chemistry to limit the calculation time; however, the ultimate aim is to implement the more complex CO2 chemistry in these models. In the present paper, examples will be given of both the 0D plasma chemistry models and the 2D and 3D fluid models for the most common plasma reactors used for CO2 conversion in order to emphasize the complementarity of both approaches. Furthermore, based on the modeling insights, the paper discusses the possibilities and limitations of plasma-based CO2 conversion in different types of plasma reactors, as well as what is needed to make further progress in this field.

  13. Forecasting effects of climate change on Great Lakes fisheries: models that link habitat supply to population dynamics can help

    Science.gov (United States)

    Jones, Michael L.; Shuter, Brian J.; Zhao, Yingming; Stockwell, Jason D.

    2006-01-01

    Future changes to climate in the Great Lakes may have important consequences for fisheries. Evidence suggests that Great Lakes air and water temperatures have risen and the duration of ice cover has lessened during the past century. Global circulation models (GCMs) suggest future warming and increases in precipitation in the region. We present new evidence that water temperatures have risen in Lake Erie, particularly during summer and winter in the period 1965–2000. GCM forecasts coupled with physical models suggest lower annual runoff, less ice cover, and lower lake levels in the future, but the certainty of these forecasts is low. Assessment of the likely effects of climate change on fish stocks will require an integrative approach that considers several components of habitat rather than water temperature alone. We recommend using mechanistic models that couple habitat conditions to population demographics to explore integrated effects of climate-caused habitat change and illustrate this approach with a model for Lake Erie walleye (Sander vitreum). We show that the combined effect on walleye populations of plausible changes in temperature, river hydrology, lake levels, and light penetration can be quite different from that which would be expected based on consideration of only a single factor.

  14. Global fishery prospects under contrasting management regimes.

    Science.gov (United States)

    Costello, Christopher; Ovando, Daniel; Clavelle, Tyler; Strauss, C Kent; Hilborn, Ray; Melnychuk, Michael C; Branch, Trevor A; Gaines, Steven D; Szuwalski, Cody S; Cabral, Reniel B; Rader, Douglas N; Leland, Amanda

    2016-05-03

    Data from 4,713 fisheries worldwide, representing 78% of global reported fish catch, are analyzed to estimate the status, trends, and benefits of alternative approaches to recovering depleted fisheries. For each fishery, we estimate current biological status and forecast the impacts of contrasting management regimes on catch, profit, and biomass of fish in the sea. We estimate unique recovery targets and trajectories for each fishery, calculate the year-by-year effects of alternative recovery approaches, and model how alternative institutional reforms affect recovery outcomes. Current status is highly heterogeneous-the median fishery is in poor health (overfished, with further overfishing occurring), although 32% of fisheries are in good biological, although not necessarily economic, condition. Our business-as-usual scenario projects further divergence and continued collapse for many of the world's fisheries. Applying sound management reforms to global fisheries in our dataset could generate annual increases exceeding 16 million metric tons (MMT) in catch, $53 billion in profit, and 619 MMT in biomass relative to business as usual. We also find that, with appropriate reforms, recovery can happen quickly, with the median fishery taking under 10 y to reach recovery targets. Our results show that commonsense reforms to fishery management would dramatically improve overall fish abundance while increasing food security and profits.

  15. 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...... functionals such as B3LYP and BP86. TPSSh gives a slope of 0.99 upon linear fitting to experimental bond energies, whereas B3LYP and BP86, representing 20% and 0% exact exchange, respectively, give linear fits with slopes of 0.91 and 1.07. Thus, TPSSh eliminates the large systematic component of the error...... promising density functional for use and further development within the field of bioinorganic chemistry....

  16. Modeling the role and impact of alien species and fisheries on the Israeli marine continental shelf ecosystem

    Science.gov (United States)

    Corrales, X.; Ofir, E.; Coll, M.; Goren, M.; Edelist, D.; Heymans, J. J.; Gal, G.

    2017-06-01

    The ecosystems of the Israeli Mediterranean coast have undergone significant changes in recent decades mainly due to species invasions and fishing. In order to characterize the structure and functioning of the marine continental shelf of the Israeli Mediterranean coast and assess temporal changes, we developed a food web model representing two time periods: 1990-1994 and 2008-2012. The 1990-1994 and 2008-2012 food web models were composed of 39 and 41 functional groups, respectively. Functional groups ranged from primary producers to top predators, and included six and eight alien functional groups, respectively, encompassing several crustacean and fish species. Input data included local surveys and fishery statistics, published data on stomach content analyses, and the application of empirical equations to estimate consumption and production rates. Results of the competitive interactions between alien and native species and changes in trophic flows between food web components highlight the increasing impact of alien species over time. Fishing had noticeable impacts in both time periods and played an important role in the ecosystem. Despite different productivity rates and other environmental differences, the Israeli marine ecosystem shared common structural and functional traits with other Mediterranean marine ecosystems. This is the first attempt to study the ecosystem of the Levant region using mass-balance models and to integrate such a large amount of alien species into food web analyses.

  17. 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…

  18. 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…

  19. 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…

  20. Redox Models in Chemistry Textbooks for the Upper Secondary School: Friend or Foe?

    Science.gov (United States)

    Osterlund, Lise-Lotte; Berg, Anders; Ekborg, Margareta

    2010-01-01

    We have investigated how chemistry textbooks use models of redox reactions in different subject areas, how they change models between and within the topics, and how they deal with specific learning difficulties identified in the literature. The textbooks examined were published for use in the natural science programme in Swedish upper secondary…

  1. Economic response to harvest and effort control in fishery

    DEFF Research Database (Denmark)

    Hoff, Ayoe; Frost, Hans

    for fisheries management. The report outlines bio-economic models, which are designed to shed light on the efficiency of different management tools in terms of quota or effort restrictions given the objectives of the Common Fisheries Policy about sustainable and economic viable fisheries. The report addresses...... the complexities of biological and economic interaction in a multispecies, multifleet framework and outlines consistent mathematical models....

  2. A theoretical analysis of season length restrictions in fisheries management

    Directory of Open Access Journals (Sweden)

    Qing Xu

    2002-01-01

    Full Text Available This paper studies season length restrictions in fisheries management from an ecological-economic perspective. We first construct a model of a stylized fishery in which season length restrictions are used to manage the fishery. We then show how the dynamic and the stochastic properties of this fishery can be used to construct two managerial criteria that are meaningful from an ecological standpoint. Finally, using these two criteria, we discuss a probabilistic approach to fisheries management in which the principal focus of a manager is on moving the fishery away from the least desirable state of existence.

  3. Quantifying temporal trends in fisheries abundance using Bayesian dynamic linear models: A case study of riverine Smallmouth Bass populations

    Science.gov (United States)

    Schall, Megan K.; Blazer, Vicki S.; Lorantas, Robert M.; Smith, Geoffrey; Mullican, John E.; Keplinger, Brandon J.; Wagner, Tyler

    2018-01-01

    Detecting temporal changes in fish abundance is an essential component of fisheries management. Because of the need to understand short‐term and nonlinear changes in fish abundance, traditional linear models may not provide adequate information for management decisions. This study highlights the utility of Bayesian dynamic linear models (DLMs) as a tool for quantifying temporal dynamics in fish abundance. To achieve this goal, we quantified temporal trends of Smallmouth Bass Micropterus dolomieu catch per effort (CPE) from rivers in the mid‐Atlantic states, and we calculated annual probabilities of decline from the posterior distributions of annual rates of change in CPE. We were interested in annual declines because of recent concerns about fish health in portions of the study area. In general, periods of decline were greatest within the Susquehanna River basin, Pennsylvania. The declines in CPE began in the late 1990s—prior to observations of fish health problems—and began to stabilize toward the end of the time series (2011). In contrast, many of the other rivers investigated did not have the same magnitude or duration of decline in CPE. Bayesian DLMs provide information about annual changes in abundance that can inform management and are easily communicated with managers and stakeholders.

  4. Implementation of a PETN failure model using ARIA's general chemistry framework

    Energy Technology Data Exchange (ETDEWEB)

    Hobbs, Michael L. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2017-01-01

    We previously developed a PETN thermal decomposition model that accurately predicts thermal ignition and detonator failure [1]. This model was originally developed for CALORE [2] and required several complex user subroutines. Recently, a simplified version of the PETN decomposition model was implemented into ARIA [3] using a general chemistry framework without need for user subroutines. Detonator failure was also predicted with this new model using ENCORE. The model was simplified by 1) basing the model on moles rather than mass, 2) simplifying the thermal conductivity model, and 3) implementing ARIA’s new phase change model. This memo briefly describes the model, implementation, and validation.

  5. 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…

  6. 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…

  7. 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.)

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

    Science.gov (United States)

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

    2018-02-01

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

  9. 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.

  10. 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......, stoichiometry, and inlet NO level. In general, the model provides a satisfactory description of NO formation in air and oxy-fuel combustion of coal, but under some conditions, it underestimates the impact on NO of replacing N2 with CO2. According to the model, differences in the NO yield between the oxy...

  11. 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.

  12. Best management strategies for sustainable giant clam fishery in French Polynesia islands: answers from a spatial modeling approach.

    Directory of Open Access Journals (Sweden)

    Simon Van Wynsberge

    Full Text Available The giant clam Tridacna maxima has been largely overexploited in many tropical regions over the past decades, and was therefore listed in appendix II of the Convention of International Trade in Endangered Species (CITES in 1985. In French Polynesia, several atolls and islands harbor the world's highest stocks of giant clams in very shallow and accessible areas, which are therefore highly vulnerable to fishing pressure. The local fishery authority (i.e., Direction des Resources Marines or "DRM" implemented several management schemes in 2002 to control and regulate fishing pressure. However, for further decisions DRM was missing a sensitivity analysis on the effectiveness of the possible management actions. Here, we report on the use of a deterministic Viable Population Analysis (VPA and spatially-explicit age-based population model that simulated the 30-year trajectory of a Tridacna maxima stock under different management approaches. Specifically, given various scenarios of intra-island larval dispersal, we tested which of No-take-Areas (NTAs, rotational closures, size limits, quotas, and restocking schemes would lead to the highest future stocks in Tubuai and Raivavae, two exploited islands of the Austral archipelago. For both islands, stock abundances were estimated in 2004/2010 and 2005/2010 respectively, and natural mortalities were assessed previously only in Tubuai. When compared to field data, the model successfully predicted the 2010 stocks for Tubuai, but proved to be less reliable for Raivavae, where natural mortality rates may well be different from those on Tubuai. For Tubuai, the spatial model suggested that reducing fishing effort (through fixed quotas and banning fishing below the 12 cm size limit (as currently implemented were the most effective management actions to sustain T. maxima populations into the future. Implementing NTAs was of poor effectiveness. NTAs increased giant clam stock inside the protected area, but also

  13. Fishery stock assessment of Kiddi shrimp ( Parapenaeopsis stylifera) in the Northern Arabian Sea Coast of Pakistan by using surplus production models

    Science.gov (United States)

    Mohsin, Muhammad; Mu, Yongtong; Memon, Aamir Mahmood; Kalhoro, Muhammad Talib; Shah, Syed Baber Hussain

    2017-07-01

    Pakistani marine waters are under an open access regime. Due to poor management and policy implications, blind fishing is continued which may result in ecological as well as economic losses. Thus, it is of utmost importance to estimate fishery resources before harvesting. In this study, catch and effort data, 1996-2009, of Kiddi shrimp Parapenaeopsis stylifera fishery from Pakistani marine waters was analyzed by using specialized fishery software in order to know fishery stock status of this commercially important shrimp. Maximum, minimum and average capture production of P. stylifera was observed as 15 912 metric tons (mt) (1997), 9 438 mt (2009) and 11 667 mt/a. Two stock assessment tools viz. CEDA (catch and effort data analysis) and ASPIC (a stock production model incorporating covariates) were used to compute MSY (maximum sustainable yield) of this organism. In CEDA, three surplus production models, Fox, Schaefer and Pella-Tomlinson, along with three error assumptions, log, log normal and gamma, were used. For initial proportion (IP) 0.8, the Fox model computed MSY as 6 858 mt (CV=0.204, R 2 =0.709) and 7 384 mt (CV=0.149, R 2 =0.72) for log and log normal error assumption respectively. Here, gamma error produced minimization failure. Estimated MSY by using Schaefer and Pella-Tomlinson models remained the same for log, log normal and gamma error assumptions i.e. 7 083 mt, 8 209 mt and 7 242 mt correspondingly. The Schafer results showed highest goodness of fit R 2 (0.712) values. ASPIC computed MSY, CV, R 2, F MSY and B MSY parameters for the Fox model as 7 219 mt, 0.142, 0.872, 0.111 and 65 280, while for the Logistic model the computed values remained 7 720 mt, 0.148, 0.868, 0.107 and 72 110 correspondingly. Results obtained have shown that P. stylifera has been overexploited. Immediate steps are needed to conserve this fishery resource for the future and research on other species of commercial importance is urgently needed.

  14. Why has the bohr-sommerfeld model of the atom been ignoredby general chemistry textbooks?

    Science.gov (United States)

    Niaz, Mansoor; Cardellini, Liberato

    2011-12-01

    Bohr's model of the atom is considered to be important by general chemistry textbooks. A major shortcoming of this model was that it could not explain the spectra of atoms containing more than one electron. In order to increase the explanatory power of the model, Sommerfeld hypothesized the existence of elliptical orbits. This study has the following objectives: 1) Formulation of criteria based on a history and philosophy of science framework; and 2) Evaluation of university-level general chemistry textbooks based on the criteria, published in Italy and U.S.A. Presentation of a textbook was considered to be "satisfactory" if it included a description of the Bohr-Sommerfeld model along with diagrams of the elliptical orbits. Of the 28 textbooks published in Italy that were analyzed, only five were classified as "satisfactory". Of the 46 textbooks published in U.S.A., only three were classified as "satisfactory". This study has the following educational implications: a) Sommerfeld's innovation (auxiliary hypothesis) by introducing elliptical orbits, helped to restore the viability of Bohr's model; b) Bohr-Sommerfeld's model went no further than the alkali metals, which led scientists to look for other models; c) This clearly shows that scientific models are tentative in nature; d) Textbook authors and chemistry teachers do not consider the tentative nature of scientific knowledge to be important; e) Inclusion of the Bohr-Sommerfeld model in textbooks can help our students to understand how science progresses.

  15. Modeling Chemistry for Effective Chemical Education: An Interview with Ronald J. Gillespie

    Science.gov (United States)

    Cardellini, Liberato

    2010-01-01

    Ronald J. Gillespie, the inventor of the Valence Shell Electron Pair Repulsion (VSEPR) model, relates how his career as researcher in Christopher Ingold's laboratories started. Gillespie developed a passion for chemistry and chemical education, searching for more appropriate and interesting ways to transmit the essential knowledge and enthusiasm…

  16. Examination of Bond Properties through Infrared Spectroscopy and Molecular Modeling in the General Chemistry Laboratory

    Science.gov (United States)

    Csizmar, Clifford M.; Force, Dee Ann; Warner, Don L.

    2012-01-01

    A concerted effort has been made to increase the opportunities for undergraduate students to address scientific problems employing the processes used by practicing chemists. As part of this effort, an infrared (IR) spectroscopy and molecular modeling experiment was developed for the first-year general chemistry laboratory course. In the…

  17. Implementation of Argument-Driven Inquiry as an Instructional Model in a General Chemistry Laboratory Course

    Science.gov (United States)

    Kadayifci, Hakki; Yalcin-Celik, Ayse

    2016-01-01

    This study examined the effectiveness of Argument-Driven Inquiry (ADI) as an instructional model in a general chemistry laboratory course. The study was conducted over the course of ten experimental sessions with 125 pre-service science teachers. The participants' level of reflective thinking about the ADI activities, changes in their science…

  18. The Effects of a Flipped Classroom Model of Instruction on Students' Performance and Attitudes towards Chemistry

    Science.gov (United States)

    Olakanmi, Eunice Eyitayo

    2017-01-01

    This study establishes the effects of a flipped classroom model of instruction on academic performance and attitudes of 66 first-year secondary school students towards chemistry. A pre-test and post-test experimental design was employed to assign students randomly into either the experimental or control group. In order to assess the suitability of…

  19. 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

  20. An evaluation of the Cray T3D programming paradigms in atmospheric chemistry/transport models

    NARCIS (Netherlands)

    J.G. Blom (Joke); C. Keßler (Carsten); J.G. Verwer (Jan)

    1996-01-01

    textabstractIn this paper we compare the different programming paradigms available on the Cray T3D for the implementation of a 3D prototype of an Atmospheric Chemistry/Transport Model. We discuss the amount of work needed to convert existing codes to the T3D and the portability of the resulting

  1. Assessment of model chemistries for hydrofluoropolyethers: A DFT/M08-HX benchmark study

    DEFF Research Database (Denmark)

    da Franca E S C Viegas, Luis Pedro

    2017-01-01

    reproduce the energetic rankings and thermal weight factors of the simplest examples of those two classes calculated with M08-HX/triple-zeta//M08-HX/double-zeta benchmark model chemistries. Between the tested methodologies, M08-HX/aug-pcseg-2//M08-HX/pcseg-1 was found to be the most appropriate, exhibiting...

  2. The Chemistry of Conscious States-Toward a Unified Model of the ...

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 3; Issue 2. The Chemistry of Conscious States – Toward a Unified Model of the Brain and the Mind ... Author Affiliations. Upinder Bhalla1. National Centre for Biological Sciences, TIFR Centre, Indian Institute of Science Campus, Bangalore 560 012, India ...

  3. The Impact of Incorporating Chemistry to Numerical Weather Prediction Models: An Ensemble-Based Sensitivity Analysis

    Science.gov (United States)

    Barnard, P. A.; Arellano, A. F.

    2011-12-01

    Data assimilation has emerged as an integral part of numerical weather prediction (NWP). More recently, atmospheric chemistry processes have been incorporated into NWP models to provide forecasts and guidance on air quality. There is, however, a unique opportunity within this coupled system to investigate the additional benefit of constraining model dynamics and physics due to chemistry. Several studies have reported the strong interaction between chemistry and meteorology through radiation, transport, emission, and cloud processes. To examine its importance to NWP, we conduct an ensemble-based sensitivity analysis of meteorological fields to the chemical and aerosol fields within the Weather Research and Forecasting model coupled with Chemistry (WRF-Chem) and the Data Assimilation Research Testbed (DART) framework. In particular, we examine the sensitivity of the forecasts of surface temperature and related dynamical fields to the initial conditions of dust and aerosol concentrations in the model over the continental United States within the summer 2008 time period. We use an ensemble of meteorological and chemical/aerosol predictions within WRF-Chem/DART to calculate the sensitivities. This approach is similar to recent ensemble-based sensitivity studies in NWP. The use of an ensemble prediction is appealing because the analysis does not require the adjoint of the model, which to a certain extent becomes a limitation due to the rapidly evolving models and the increasing number of different observations. Here, we introduce this approach as applied to atmospheric chemistry. We also show our initial results of the calculated sensitivities from joint assimilation experiments using a combination of conventional meteorological observations from the National Centers for Environmental Prediction, retrievals of aerosol optical depth from NASA's Moderate Resolution Imaging Spectroradiometer, and retrievals of carbon monoxide from NASA's Measurements of Pollution in the

  4. 75 FR 17070 - Fisheries in the Western Pacific; Hawaii Bottomfish and Seamount Groundfish Fisheries; Fishery...

    Science.gov (United States)

    2010-04-05

    ... National Oceanic and Atmospheric Administration 50 CFR Part 665 RIN 0648-XU60 Fisheries in the Western Pacific; Hawaii Bottomfish and Seamount Groundfish Fisheries; Fishery Closure AGENCY: National Marine Fisheries Service (NMFS), National Oceanic and Atmospheric Administration (NOAA), Commerce. ] ACTION...

  5. Development and use of a bioeconomic model for management of mussel fisheries under different nutrient regimes in the temperate estuary of the Limfjord, Denmark

    DEFF Research Database (Denmark)

    Timmermann, Karen; Dinesen, Grete E.; Markager, Stiig

    2014-01-01

    Coastal ecosystems worldwide are under pressure from human-induced nutrient inputs, fishing activities, mariculture, construction work, and climate change. Integrated management instruments handling one or more of these problems in combination with socioeconomic issues are therefore necessary...... to secure a sustainable use of resources. In the Limfjord, a temperate eutrophic estuary in Denmark, nutrient load reductions are necessary to fulfill EU regulations such as the Water Framework Directive (WFD). The expected outcome of these load reductions is an improved water quality, but also reduced...... reductions for mussel fishery as practiced today, as well as potential management options, to obtain an economically and ecologically sustainable mussel fishery. Model simulations clearly demonstrate a substantial decrease in mussel production after the nutrient load reductions necessary to obtain...

  6. 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.

  7. Fisheries Closed Areas Strengthen Scallop Larval Settlement and Connectivity Among Closed Areas and Across International Open Fishing Grounds: A Model Study.

    Science.gov (United States)

    Davies, Kimberley T A; Gentleman, W C; DiBacco, C; Johnson, C L

    2015-09-01

    This study examined whether a measured increase in average body size of adult sea scallops inside three fishery closed areas on Georges Bank (GB), United States (US), was sufficient to increase larval supply to closed areas and open fishing areas in both US and Canadian areas of the Bank. The effects of adult scallop density-at-size and fecundity-at-size on egg production were compared among open and closed fishery areas, countries, and time periods before and after the closed areas were established. Estimated egg production was then used to define spawning conditions in a coupled biological-physical larval tracking model that simulated larval development, mortality, and dispersal. Results showed that order of magnitude increases in larval settlement after closure were facilitated by increases in size-dependant egg production inside and dispersal from Closed Areas I and II, but not Nantucket Lightship Closed Area. The distributions of both egg production and larval settlement became more uniform across the Bank, causing the relative contribution of Canadian larvae to US scallop aggregations to decrease after establishment of Closed Areas I and II. Decreases in small and medium-sized scallop density in Canada and decreases in large scallops over the US-Southern Flank after closure caused local declines in egg production but were not sufficient to negatively affect larval settlement at the regional scale. Our model suggests that the establishment of fishery closed areas on GB considerably strengthened larval supply and settlement within and among several adult scallop aggregations.

  8. Effects of environmental variability on recruitment and bioeconomic modelling in the Pacific sardine (Sardinops sagax caerulea fishery from Magdalena Bay, Baja California Sur, Mexico

    Directory of Open Access Journals (Sweden)

    Juan Antonio de Anda-Montañez

    2010-03-01

    Full Text Available Ricker's stock-recruitment equation, including the multivariate ENSO index (MEI as an environmental variable, was fitted to data of the Pacific sardine (Sardinops sagax caerulea fishery from Magdalena Bay, Baja California Sur, Mexico. The equation was then incorporated into an age-structured, bioeconomic model. Uncertainty was incorporated by using environmental fluctuations; seven-year projections, equivalent to one sardine generation, were computed. Five management options were considered in the projections: open access, effort at maximum sustainable economic yield (fMSE, catch at maximum sustainable yield (CMSY, equivalent effort level applied in the year 2004 (f2004, and an arbitrary catch quota of 40000 tons (CQ40000. Projection results were summarised by the indicator Net Present Value (NPV of the fishery for the modelled period. The strategies that involved some regulation in the effort level (fMSE and f2004 yielded the largest NPV. On the other hand, the strategies that involved regulation of the catch predicted—in addition to a lower NPV—a substantial increase in the effort to achieve the desired catch level. This study is the first bioeconomic approach for a sardine fishery management plan in this region.

  9. Fishery Performance Indicators

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — Performance indicators for landings, effort, revenue and distribution of revenue are collected for various fisheries nation-wide. The fisheries include catch and...

  10. A multi-species multi-fleet bioeconomic simulation model for the English Channel artisanal fisheries

    DEFF Research Database (Denmark)

    Ulrich, Clara; Le Gallic, B.; Dunn, M.R.

    2002-01-01

    of the model is to study the long-term consequences of various management alternatives on the economic situation of the English and French fleets fishing in the area and on exploited resources. The model describes this feature through the links between three entities on the one hand (stocks, fleets...

  11. Meso-scale modeling of air pollution transport/chemistry/deposition and its application

    International Nuclear Information System (INIS)

    Kitada, Toshihiro

    2007-01-01

    Transport/chemistry/deposition model for atmospheric trace chemical species is now regarded as an important tool for an understanding of the effects of various human activities, such as fuel combustion and deforestation, on human health, eco-system, and climate and for planning of appropriate control of emission sources. Several 'comprehensive' models have been proposed such as RADM (Chang, et al., 1987), STEM-II (Carmichael, et al., 1986), and CMAQ (Community Multi-scale Air Quality model, e.g., EPA website, 2003); the 'comprehensive' models include not only gas/aerosol phase chemistry but also aqueous phase chemistry in cloud/rain water in addition to the processes of advection, diffusion, wet deposition (mass transfer between aqueous and gas/aerosol phases), and dry deposition. The target of the development of the 'comprehensive' model will be that the model can correctly reproduce mass balance of various chemical species in the atmosphere with keeping adequate accuracy for calculated concentration distributions of chemical species. For the purpose, one of the important problems is a reliable wet deposition modeling, and here, we introduce two types of methods of 'cloud-resolving' and 'non-cloud-resolving' modeling for the wet deposition of pollutants. (author)

  12. Validation of Global Ozone Monitoring Experiment ozone profiles and evaluation of stratospheric transport in a global chemistry transport model

    NARCIS (Netherlands)

    de Laat, A.T.J.; Landgraf, J.; Aben, I.; Hasekamp, O.; Bregman, B.

    2007-01-01

    This paper presents a validation of Global Ozone Monitoring Experiment (GOME) ozone (O3) profiles which are used to evaluate stratospheric transport in the chemistry transport model (CTM) Tracer Model version 5 (TM5) using a linearized stratospheric O3 chemistry scheme. A

  13. Validation of Global Ozone Monitoring Experiment zone profiles and evaluation of stratospheric transport in a global chemistry transport model

    NARCIS (Netherlands)

    Laat, A.T.J.de; Landgraf, J.; Aben, I.; Hasekamp, O.; Bregman, B.

    2007-01-01

    This paper presents a validation of Global Ozone Monitoring Experiment (GOME) ozone (O3) profiles which are used to evaluate stratospheric transport in the chemistry transport model (CTM) Tracer Model version 5 (TM5) using a linearized stratospheric O3 chemistry scheme. A comparison of GOME O3

  14. Implementation and evaluation of pH-dependent cloud chemistry and wetdeposition in the chemical transport model REM-Calgrid

    NARCIS (Netherlands)

    Banzhaf, S.; Schaap, M.; Kerschbaumer, A.; Reimer, E.; Stern, R.; Swaluw, E. van der; Builtjes, P.

    2012-01-01

    The Chemistry Transport Model REM-Calgrid (RCG) has been improved by implementing an enhanced description of aqueous-phase chemistry and wet deposition processes including droplet pH. A sensitivity study on cloud and rain droplet pH has been performed to investigate its impact on model sulphate

  15. The Use of Molecular Modeling Programs in Medicinal Chemistry Instruction.

    Science.gov (United States)

    Harrold, Marc W.

    1992-01-01

    This paper describes and evaluates the use of a molecular modeling computer program (Alchemy II) in a pharmaceutical education program. Provided are the hardware requirements and basic program features as well as several examples of how this program and its features have been applied in the classroom. (GLR)

  16. Ensemble-based data assimilation schemes for atmospheric chemistry models

    NARCIS (Netherlands)

    Barbu, A.L.

    2010-01-01

    The atmosphere is a complex system which includes physical, chemical and biological processes. Many of these processes affecting the atmosphere are subject to various interactions and can be highly nonlinear. This complexity makes it necessary to apply computer models in order to understand the

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

    Directory of Open Access Journals (Sweden)

    Z. Peng

    2016-04-01

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

  18. Sustainable fisheries in shallow lakes: an independent empirical test of the Chinese mitten crab yield model

    Science.gov (United States)

    Wang, Haijun; Liang, Xiaomin; Wang, Hongzhu

    2017-07-01

    Next to excessive nutrient loading, intensive aquaculture is one of the major anthropogenic impacts threatening lake ecosystems. In China, particularly in the shallow lakes of mid-lower Changjiang (Yangtze) River, continuous overstocking of the Chinese mitten crab ( Eriocheir sinensis) could deteriorate water quality and exhaust natural resources. A series of crab yield models and a general optimum-stocking rate model have been established, which seek to benefit both crab culture and the environment. In this research, independent investigations were carried out to evaluate the crab yield models and modify the optimum-stocking model. Low percentage errors (average 47%, median 36%) between observed and calculated crab yields were obtained. Specific values were defined for adult crab body mass (135 g/ind.) and recapture rate (18% and 30% in lakes with submerged macrophyte biomass above and below 1 000 g/m2) to modify the optimum-stocking model. Analysis based on the modified optimum-stocking model indicated that the actual stocking rates in most lakes were much higher than the calculated optimum-stocking rates. This implies that, for most lakes, the current stocking rates should be greatly reduced to maintain healthy lake ecosystems.

  19. Supply regimes in fisheries

    DEFF Research Database (Denmark)

    Nielsen, Max

    2006-01-01

    Supply in fisheries is traditionally known for its backward bending nature, owing to externalities in production. Such a supply regime, however, exist only for pure open access fisheries. Since most fisheries worldwide are neither pure open access, nor optimally managed, rather between the extrem...

  20. Nigerian Journal of Fisheries

    African Journals Online (AJOL)

    Today the membership of the society has expanded cutting across all the related disciplines including fisheries scientists, fishing companies and professional industrial fishing/fish farming enthusiasts and entrepreneurs. The Nigerian Journal of Fisheries is aimed at encouraging needed research into multivariate fisheries ...

  1. Modeling of the chemistry in oxidation flow reactors with high initial NO

    Science.gov (United States)

    Peng, Zhe; Jimenez, Jose L.

    2017-10-01

    Oxidation flow reactors (OFRs) are increasingly employed in atmospheric chemistry research because of their high efficiency of OH radical production from low-pressure Hg lamp emissions at both 185 and 254 nm (OFR185) or 254 nm only (OFR254). OFRs have been thought to be limited to studying low-NO chemistry (in which peroxy radicals (RO2) react preferentially with HO2) because NO is very rapidly oxidized by the high concentrations of O3, HO2, and OH in OFRs. However, many groups are performing experiments by aging combustion exhaust with high NO levels or adding NO in the hopes of simulating high-NO chemistry (in which RO2 + NO dominates). This work systematically explores the chemistry in OFRs with high initial NO. Using box modeling, we investigate the interconversion of N-containing species and the uncertainties due to kinetic parameters. Simple initial injection of NO in OFR185 can result in more RO2 reacted with NO than with HO2 and minor non-tropospheric photolysis, but only under a very narrow set of conditions (high water mixing ratio, low UV intensity, low external OH reactivity (OHRext), and initial NO concentration (NOin) of tens to hundreds of ppb) that account for a very small fraction of the input parameter space. These conditions are generally far away from experimental conditions of published OFR studies with high initial NO. In particular, studies of aerosol formation from vehicle emissions in OFRs often used OHRext and NOin several orders of magnitude higher. Due to extremely high OHRext and NOin, some studies may have resulted in substantial non-tropospheric photolysis, strong delay to RO2 chemistry due to peroxynitrate formation, VOC reactions with NO3 dominating over those with OH, and faster reactions of OH-aromatic adducts with NO2 than those with O2, all of which are irrelevant to ambient VOC photooxidation chemistry. Some of the negative effects are the worst for alkene and aromatic precursors. To avoid undesired chemistry, vehicle emissions

  2. Geochemical modelling of groundwater chemistry in the Tono area

    International Nuclear Information System (INIS)

    Arthur, R.C.

    2003-03-01

    This report summarizes the research result about geochemical modelling of the groundwater during H14 financial year. JNC-TGC have built the geochemical conceptual models of groundwater by using the chemical data of the groundwater of the Mizunami group and Toki granite. Although this models are extremely useful as interpretive tools, they lack the quantitative basis necessary to evaluate coupled processes of fluid-flow and water-rock interaction driving the chemical evolution of groundwater systems. In this research, the following three items have been considered for the purpose of construction of the geochemical model which can express the chemical reaction in groundwater correctly. Evaluation of the quality of the previous analytical data in the Tono region. Grasp of the chemical character of groundwaters. Consideration about the influence between Eh, pH and CO 2 (g) parameter, and which the change has. Evaluation of the quality of the previous analytical data are important because deficiencies in sampling technique, sample-preservation procedures or analytical method may adversely affect the overall quality of groundwater chemical and isotopic analysis. In addition, the effects of borehole drilling and logging, hydraulic testing inappropriate sampling strategies or inadequate sampling tools may perturb groundwater compositions to such an extent that they are unrepresentative of in-situ conditions. The quality of water analysis is indicated by its charge balance. The charge balance of many of the analysis lies within the strictly acceptable range of 0±5%, but charge imbalances exceeding these limits are calculated for many other samples. These reasons are examined in the following. Analytical errors (e.q., of alkalinity). Errors arising from the use of IC values that are unrepresentative because CO 2 was gained by or lost from the sample during storage and (or) analysis. Errors arising from the invalid assumption that non-carbonate contributions to the

  3. The numerical modelling of MHD astrophysical flows with chemistry

    Science.gov (United States)

    Kulikov, I.; Chernykh, I.; Protasov, V.

    2017-10-01

    The new code for numerical simulation of magnetic hydrodynamical astrophysical flows with consideration of chemical reactions is given in the paper. At the heart of the code – the new original low-dissipation numerical method based on a combination of operator splitting approach and piecewise-parabolic method on the local stencil. The chemodynamics of the hydrogen while the turbulent formation of molecular clouds is modeled.

  4. Jointness through vessel capacity input in a multispecies fishery

    DEFF Research Database (Denmark)

    Hansen, Lars Gårn; Jensen, Carsten Lynge

    2014-01-01

    The success of regulations of multispecies fisheries may depend critically on understanding output dependencies correctly. An example is purse seine fisheries that target several species over the season but are specialized in the sense that each species are targeted individually. Such fisheries...... are typically modeled as either independent single species fisheries or using standard multispecies functional forms characterized by jointness in inputs. We argue that production of each species is essentially independent but that jointness may be caused by competition for fixed but allocable input of vessel...... capacity. We develop a fixed but allocatable input model of purse seine fisheries capturing this particular type of jointness. We estimate the model for the Norwegian purse seine fishery and find that it is characterized by nonjointness, while estimations for this fishery using the standard models imply...

  5. Multivariate Calibration and Model Integrity for Wood Chemistry Using Fourier Transform Infrared Spectroscopy

    OpenAIRE

    Zhou, Chengfeng; Jiang, Wei; Cheng, Qingzheng; Via, Brian K.

    2015-01-01

    This research addressed a rapid method to monitor hardwood chemical composition by applying Fourier transform infrared (FT-IR) spectroscopy, with particular interest in model performance for interpretation and prediction. Partial least squares (PLS) and principal components regression (PCR) were chosen as the primary models for comparison. Standard laboratory chemistry methods were employed on a mixed genus/species hardwood sample set to collect the original data. PLS was found to provide bet...

  6. 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

  7. Kinetic models in spin chemistry. 1. The hyperfine interaction

    DEFF Research Database (Denmark)

    Mojaza, M.; Pedersen, J. B.

    2012-01-01

    Kinetic models for quantum systems are quite popular due to their simplicity, although they are difficult to justify. We show that the transformation from quantum to kinetic description can be done exactly for the hyperfine interaction of one nuclei with arbitrary spin; more spins are described...... with a very good approximation. The crucial points are: to represents the quantum coherent oscillations by first order rate constants, and to determine the number of kinetic channels corresponding to a given interaction. We consider a radical pair system with spin selective reactions and calculate the spin...

  8. Mixed fisheries forecasts—lessons learned from their initial application to North Sea fisheries

    DEFF Research Database (Denmark)

    Holmes, S.J.; Ulrich, Clara; Reeves, S.A.

    2012-01-01

    these approaches in routine scientific advice for the first time. The demersal fisheries of the North Sea provide a particularly interesting context for this work because of their high complexity in terms of the numbers of fleets, gears, métiers, and species involved, and also because mixedfishery effects have...... contributed to the lack of recovery of the North Sea cod stock. The implementation of mixed‐fishery forecasts which account for the fishery complexity and thus allow mixed‐fishery effects to be modelled has posed a number of challenges relating to issues such as data requirements and the need to integrate...... through the practical implementation of mixed‐fishery forecasts, then discusses the further developments that will be required to progress towards more integrated multistock management using mixed‐fishery management plans...

  9. A multi-species multi-fleet bioeconomic simulation model for the English Channel artisanal fisheries

    DEFF Research Database (Denmark)

    Ulrich, Clara; Le Gallic, B.; Dunn, M.R.

    2002-01-01

    and "metiers", i.e. gear x target species x fishing area), and three modules on the other hand (activity, biological production and economics). The model is described and some simulation results are presented. An example simulating a decrease of one fleet segment effort illustrates these technical interactions...

  10. Physical chemistry and modelling of the sintering of actinide oxides

    International Nuclear Information System (INIS)

    Lechelle, Jacques

    2013-01-01

    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)O 2 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 CeO 2 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 Cr 2 O 3 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) [fr

  11. Modelling the effects of climate change, species interactions and fisheries - towards Ecosystem-based Fisheries Management in the Central Baltic Sea

    DEFF Research Database (Denmark)

    Lindegren, Martin

    -economical models, we were able to account for management consequences over a wide range of policy objectives and define overall ecologically and economically optimal management solutions. To that end, our coupled modelling tool demonstrates how by adopting an ecosystem approach we may quantitatively forecast...... aim of this thesis is to develop a decision-support tool fit for achieving EBFM in the Central Baltic Sea, an ecosystem heavily impacted by overfishing and climate change. To that end, a theoretical approach for modelling multispecies population dynamics was combined with advanced statistical methods...

  12. Modelling the effects of climate change, species interactions and fisheries – towards Ecosystem-based Fisheries Management in the Central Baltic Sea

    DEFF Research Database (Denmark)

    Lindegren, Martin

    -economical models, we were able to account for management consequences over a wide range of policy objectives and define overall ecologically and economically optimal management solutions. To that end, our coupled modelling tool demonstrates how by adopting an ecosystem approach we may quantitatively forecast...... aim of this thesis is to develop a decision-support tool fit for achieving EBFM in the Central Baltic Sea, an ecosystem heavily impacted by overfishing and climate change. To that end, a theoretical approach for modelling multispecies population dynamics was combined with advanced statistical methods...

  13. Field Validation of Habitat Suitability Models for Vulnerable Marine Ecosystems in the South Pacific Ocean: Implications for the use of Broad-scale Models in Fisheries Management

    Science.gov (United States)

    Anderson, O. F.; Guinotte, J. M.; Clark, M. R.; Rowden, A. A.; Mormede, S.; Davies, A. J.; Bowden, D.

    2016-02-01

    Spatial management of vulnerable marine ecosystems requires accurate knowledge of their distribution. Predictive habitat suitability modelling, using species presence data and a suite of environmental predictor variables, has emerged as a useful tool for inferring distributions outside of known areas. However, validation of model predictions is typically performed with non-independent data. In this study, we describe the results of habitat suitability models constructed for four deep-sea reef-forming coral species across a large region of the South Pacific Ocean using MaxEnt and Boosted Regression Tree modelling approaches. In order to validate model predictions we conducted a photographic survey on a set of seamounts in an un-sampled area east of New Zealand. The likelihood of habitat suitable for reef forming corals on these seamounts was predicted to be variable, but very high in some regions, particularly where levels of aragonite saturation, dissolved oxygen, and particulate organic carbon were optimal. However, the observed frequency of coral occurrence in analyses of survey photographic data was much lower than expected, and patterns of observed versus predicted coral distribution were not highly correlated. The poor performance of these broad-scale models is attributed to lack of recorded species absences to inform the models, low precision of global bathymetry models, and lack of data on the geomorphology and substrate of the seamounts at scales appropriate to the modelled taxa. This demonstrates the need to use caution when interpreting and applying broad-scale, presence-only model results for fisheries management and conservation planning in data poor areas of the deep sea. Future improvements in the predictive performance of broad-scale models will rely on the continued advancement in modelling of environmental predictor variables, refinements in modelling approaches to deal with missing or biased inputs, and incorporation of true absence data.

  14. Metal transport across biomembranes: emerging models for a distinct chemistry.

    Science.gov (United States)

    Argüello, José M; Raimunda, Daniel; González-Guerrero, Manuel

    2012-04-20

    Transition metals are essential components of important biomolecules, and their homeostasis is central to many life processes. Transmembrane transporters are key elements controlling the distribution of metals in various compartments. However, due to their chemical properties, transition elements require transporters with different structural-functional characteristics from those of alkali and alkali earth ions. Emerging structural information and functional studies have revealed distinctive features of metal transport. Among these are the relevance of multifaceted events involving metal transfer among participating proteins, the importance of coordination geometry at transmembrane transport sites, and the presence of the largely irreversible steps associated with vectorial transport. Here, we discuss how these characteristics shape novel transition metal ion transport models.

  15. 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

  16. Computer modelling of the plasma chemistry and plasma-based growth mechanisms for nanostructured materials

    International Nuclear Information System (INIS)

    In this review paper, an overview is given of different modelling efforts for plasmas used for the formation and growth of nanostructured materials. This includes both the plasma chemistry, providing information on the precursors for nanostructure formation, as well as the growth processes itself. We limit ourselves to carbon (and silicon) nanostructures. Examples of the plasma modelling comprise nanoparticle formation in silane and hydrocarbon plasmas, as well as the plasma chemistry giving rise to carbon nanostructure formation, such as (ultra)nanocrystalline diamond ((U)NCD) and carbon nanotubes (CNTs). The second part of the paper deals with the simulation of the (plasma-based) growth mechanisms of the same carbon nanostructures, i.e. (U)NCD and CNTs, both by mechanistic modelling and detailed atomistic simulations.

  17. A general method for the inclusion of radiation chemistry in astrochemical models.

    Science.gov (United States)

    Shingledecker, Christopher N; Herbst, Eric

    2018-02-21

    In this paper, we propose a general formalism that allows for the estimation of radiolysis decomposition pathways and rate coefficients suitable for use in astrochemical models, with a focus on solid phase chemistry. Such a theory can help increase the connection between laboratory astrophysics experiments and astrochemical models by providing a means for modelers to incorporate radiation chemistry into chemical networks. The general method proposed here is targeted particularly at the majority of species now included in chemical networks for which little radiochemical data exist; however, the method can also be used as a starting point for considering better studied species. We here apply our theory to the irradiation of H 2 O ice and compare the results with previous experimental data.

  18. Evaluating targets and trade-offs among fisheries and conservation objectives using a multispecies size spectrum model

    NARCIS (Netherlands)

    Blanchard, J.L.; Andersen, K.H.; Scott, F.; Hintzen, N.T.; Piet, G.J.; Jennings, S.

    2014-01-01

    Marine environmental management policies seek to ensure that fishing impacts on fished populations and other components of the ecosystem are sustainable, to simultaneously meet objectives for fisheries and conservation. For example, in Europe, targets for (i) biodiversity, (ii) food web structure as

  19. Inland capture fisheries

    Science.gov (United States)

    Welcomme, Robin L.; Cowx, Ian G.; Coates, David; Béné, Christophe; Funge-Smith, Simon; Halls, Ashley; Lorenzen, Kai

    2010-01-01

    The reported annual yield from inland capture fisheries in 2008 was over 10 million tonnes, although real catches are probably considerably higher than this. Inland fisheries are extremely complex, and in many cases poorly understood. The numerous water bodies and small rivers are inhabited by a wide range of species and several types of fisher community with diversified livelihood strategies for whom inland fisheries are extremely important. Many drivers affect the fisheries, including internal fisheries management practices. There are also many drivers from outside the fishery that influence the state and functioning of the environment as well as the social and economic framework within which the fishery is pursued. The drivers affecting the various types of inland water, rivers, lakes, reservoirs and wetlands may differ, particularly with regard to ecosystem function. Many of these depend on land-use practices and demand for water which conflict with the sustainability of the fishery. Climate change is also exacerbating many of these factors. The future of inland fisheries varies between continents. In Asia and Africa the resources are very intensely exploited and there is probably little room for expansion; it is here that resources are most at risk. Inland fisheries are less heavily exploited in South and Central America, and in the North and South temperate zones inland fisheries are mostly oriented to recreation rather than food production. PMID:20713391

  20. Investigation on chemistry of model compounds of technetium radiopharmaceuticals

    International Nuclear Information System (INIS)

    Muenze, R.; Hartmann, E.

    1983-01-01

    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)

  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. 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.

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

    Science.gov (United States)

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

    2013-01-01

    The Atmospheric Chemistry and Climate Model Intercomparison Project (ACCMIP) consists of a series of time slice experiments targeting the long-term changes in atmospheric composition between 1850 and 2100, with the goal of documenting composition changes and the associated radiative forcing. In this overview paper, we introduce the ACCMIP activity, the various simulations performed (with a requested set of 14) and the associated model output. The 16 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 are responsible for a significant range across models, mostly in the case of 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. However, models that are clear outliers are different enough from the other models to significantly affect their simulation of atmospheric chemistry.

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

    Directory of Open Access Journals (Sweden)

    A. Kerkweg

    2012-01-01

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

  6. Bioeconomic modeling for a small-scale sea cucumber fishery in Yucatan, Mexico.

    Science.gov (United States)

    Hernández-Flores, Alvaro; Cuevas-Jiménez, Alfonso; Poot-Salazar, Alicia; Condal, Alfonso; Espinoza-Méndez, Juan Carlos

    2018-01-01

    Due to the heavy exploitation of holothurians over the last few decades, it is necessary to implement fishing regulations aimed at reversing this situation. Holothurians require specific regulations that take into account their biology and ecology. Their behavior to group and form patches as a strategy for feeding, defense and reproduction, makes them vulnerable to overfishing. The higher the population density, the higher the catchability coefficient, and because they are sedentary organisms, the catchability does not change significantly until the density is very low. Hence, the stock assessment of holothurians can be improved by analyzing their spatial distribution. This paper proposes a stock assessment technique that considers the spatial distribution pattern of the sea cucumber Isostichopus badionotus from Yucatan, Mexico. A bioeconomic spatial model was developed to explain the interactions between fishing effort allocation, quasi-profits and the population in the short term. Because of the high price of the species and the low production costs, artisanal fishers preferred to maximize short-term quasi-profits, rather than the long-term benefits they could gain with low fishing mortality rates.

  7. Development of collaborative-creative learning model using virtual laboratory media for instrumental analytical chemistry lectures

    Science.gov (United States)

    Zurweni, Wibawa, Basuki; Erwin, Tuti Nurian

    2017-08-01

    The framework for teaching and learning in the 21st century was prepared with 4Cs criteria. Learning providing opportunity for the development of students' optimal creative skills is by implementing collaborative learning. Learners are challenged to be able to compete, work independently to bring either individual or group excellence and master the learning material. Virtual laboratory is used for the media of Instrumental Analytical Chemistry (Vis, UV-Vis-AAS etc) lectures through simulations computer application and used as a substitution for the laboratory if the equipment and instruments are not available. This research aims to design and develop collaborative-creative learning model using virtual laboratory media for Instrumental Analytical Chemistry lectures, to know the effectiveness of this design model adapting the Dick & Carey's model and Hannafin & Peck's model. The development steps of this model are: needs analyze, design collaborative-creative learning, virtual laboratory media using macromedia flash, formative evaluation and test of learning model effectiveness. While, the development stages of collaborative-creative learning model are: apperception, exploration, collaboration, creation, evaluation, feedback. Development of collaborative-creative learning model using virtual laboratory media can be used to improve the quality learning in the classroom, overcome the limitation of lab instruments for the real instrumental analysis. Formative test results show that the Collaborative-Creative Learning Model developed meets the requirements. The effectiveness test of students' pretest and posttest proves significant at 95% confidence level, t-test higher than t-table. It can be concluded that this learning model is effective to use for Instrumental Analytical Chemistry lectures.

  8. Modelling interstellar physics and chemistry: implications for surface and solid-state processes.

    Science.gov (United States)

    Williams, David; Viti, Serena

    2013-07-13

    We discuss several types of regions in the interstellar medium of the Milky Way and other galaxies in which the chemistry appears to be influenced or dominated by surface and solid-state processes occurring on or in interstellar dust grains. For some of these processes, for example, the formation of H₂ molecules, detailed experimental and theoretical approaches have provided excellent fundamental data for incorporation into astrochemical models. In other cases, there is an astrochemical requirement for much more laboratory and computational study, and we highlight these needs in our description. Nevertheless, in spite of the limitations of the data, it is possible to infer from astrochemical modelling that surface and solid-state processes play a crucial role in astronomical chemistry from early epochs of the Universe up to the present day.

  9. Constructing a coherent problem model to facilitate algebra problem solving in a chemistry context

    Science.gov (United States)

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

    2015-04-01

    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 information for reaching a solution. Worked examples direct students to follow steps toward the solution, and its emphasis is on computation instead of the formation of a coherent problem model. Text editing yielded higher scores in a transfer test (which shared the same solution procedure as in the acquisition problems but differed in contexts), but not a similar test (which resembled acquisition problems in terms of both solution procedure and context). Results provide some theoretical support and practical implications for using text editing to develop a coherent problem model to facilitate problem-solving skills in chemistry.

  10. 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

  11. 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)

  12. Current Status of Post-combustor Trace Chemistry Modeling and Simulation at NASA Glenn Research Center

    Science.gov (United States)

    Wey, Thomas; Liu, Nan-Suey

    2003-01-01

    The overall objective of the current effort at NASA GRC is to evaluate, develop, and apply methodologies suitable for modeling intra-engine trace chemical changes over post combustor flow path relevant to the pollutant emissions from aircraft engines. At the present time, the focus is the high pressure turbine environment. At first, the trace chemistry model of CNEWT were implemented into GLENN-HT as well as NCC. Then, CNEWT, CGLENN-HT, and NCC were applied to the trace species evolution in a cascade of Cambridge University's No. 2 rotor and in a turbine vane passage. In general, the results from these different codes provide similar features. However, the details of some of the quantities of interest can be sensitive to the differences of these codes. This report summaries the implementation effort and presents the comparison of the No. 2 rotor results obtained from these different codes. The comparison of the turbine vane passage results is reported elsewhere. In addition to the implementation of trace chemistry model into existing CFD codes, several pre/post-processing tools that can handle the manipulations of the geometry, the unstructured and structured grids as well as the CFD solutions also have been enhanced and seamlessly tied with NCC, CGLENN-HT, and CNEWT. Thus, a complete CFD package consisting of pre/post-processing tools and flow solvers suitable for post-combustor intra-engine trace chemistry study is assembled.

  13. The Titan Haze Simulation Experiment: Latest Laboratory Results and Dedicated Plasma Chemistry Model

    Science.gov (United States)

    Sciamma-O'Brien, Ella; Raymond, Alexander; Mazur, Eric; Salama, Farid

    2017-10-01

    Here, we present the latest results on the gas- and solid phase analyses in the Titan Haze Simulation (THS) experiment, developed at the NASA Ames COSmIC simulation chamber. The THS is a unique experimental platform that allows us to simulate Titan’s complex atmospheric chemistry at Titan-like temperature (200 K) by cooling down N2-CH4-based mixtures in a supersonic expansion before inducing the chemistry by plasma. Because of the accelerated gas flow in the expansion, the residence time of the gas in the active plasma region is less than 3 µs. This results in a truncated chemistry that enables us to control how far in the chain of chemical reactions chemistry processes[1], by adding, in the initial gas mixture, heavier molecules that have been detected as trace elements on Titan.We discuss the results of recent Mid-infrared (MIR) spectroscopy[2] and X-ray Absorption Near Edge Structure spectroscopy studies of THS Titan tholins produced in different gas mixtures (with and without acetylene and benzene). Both studies have shown the presence of nitrogen chemistry, and differences in the level and nature of the nitrogen incorporation depending on the initial gas mixture. A comparison of THS MIR spectra to VIMS data has shown that the THS aerosols produced in simpler mixtures, i.e., that contain more nitrogen and where the N-incorporation is in isocyanide-type molecules instead of nitriles, are more representative of Titan’s aerosols.In addition, a new model has been developed to simulate the plasma chemistry in the THS. Electron impact and chemical kinetics equations for more than 120 species are followed. The calculated mass spectra[3] are in good agreement with the experimental THS mass spectra[1], confirming that the short residence time in the plasma cavity limits the growth of larger species and results in a truncated chemistry, a main feature of the THS.References:[1] Sciamma-O'Brien E. et al., Icarus, 243, 325 (2014)[2] Sciamma-O'Brien E. et al., Icarus

  14. 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.

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

    Science.gov (United States)

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

    2006-12-01

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

  16. Predicting Complex Organic Mixture Atmospheric Chemistry Using Computer-Generated Reaction Models

    Science.gov (United States)

    Klein, M. T.; Broadbelt, L. J.; Mazurek, M. A.

    2001-12-01

    New measurement and chemical characterization technologies now offer unprecedented capabilities for detecting and describing atmospheric organic matter at the molecular level. As a result, very detailed and extensive chemical inventories are produced routinely in atmospheric field measurements of organic compounds found in the vapor and condensed phases (particles, cloud and fog droplets). Hundreds of organic compounds can constitute the complex chemical mixtures observed for these types of samples, exhibiting a wide spectrum of physical properties such as molecular weight, polarity, pH, and chemical reactivity. The central challenge is describing chemically the complex organic aerosol mixture in a useable fashion that can be linked to predictive models. However, the great compositional complexity of organic aerosols engenders a need for the modeling of the reaction chemistry of these compounds in atmospheric chemical models. On a mechanistic level, atmospheric reactions of organic compounds can involve a network of a very large number of chemical species and reactions. Deriving such large molecular kinetic models by hand is a tedious and time-consuming process. However, such models are usually built upon a few basic chemical principles tempered with the model builder's observations, experience, and intuition that can be summarized as a set of rules. This suggests that given an algorithmic framework, computers (information technology) may be used to apply these chemical principles and rules, thereby building a kinetic model. The framework for this model building process has been developed by means of graph theory. A molecule, which is a set of atoms connected by bonds, may be conceptualized as a set of vertices connected by edges, or to be more precise, a graph. The bond breaking and forming for a reaction can be represented compactly in the form of a matrix operator formally called the "reaction matrix". The addition of the reaction matrix operator to the reduced

  17. Evaluation of the Australian Community Climate and Earth-System Simulator Chemistry-Climate Model

    Science.gov (United States)

    Stone, K. A.; Morgenstern, O.; Karoly, D. J.; Klekociuk, A. R.; French, W. J. R.; Abraham, N. L.; Schofield, R.

    2015-07-01

    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 these

  18. Modelling spatial distribution of Patagonian toothfish through life-stages and sex and its implications for the fishery on the Kerguelen Plateau

    Science.gov (United States)

    Péron, Clara; Welsford, Dirk C.; Ziegler, Philippe; Lamb, Timothy D.; Gasco, Nicolas; Chazeau, Charlotte; Sinègre, Romain; Duhamel, Guy

    2016-02-01

    Size and sex specific habitat preferences are common in animal populations and can have important implications for sound spatial management of harvested species. Patagonian toothfish (Dissostichus eleginoides) is a commercially exploited fish species characterised by its longevity (>50 yo) and its extremely broad distribution in depths ranging from 10 m to 2500 m on most of the Plateaux, banks and seamounts of the Southern Ocean. As many bentho-pelagic fish species, Patagonian toothfish exhibits sexual dimorphism and ontogenetic habitat shift towards deeper waters as they grow. In this study, we modelled the spatial structure of Patagonian toothfish population (median total length and sex composition) in a data-rich area, the Kerguelen Plateau (Southern Indian Ocean), to better understand the ecological drivers of their distributional patterns and inform current and future fishery management strategies. We applied spatially-explicit statistical models to quantify and predict the effects of the complex topography of the Kerguelen Plateau in structuring the spatial distribution of Patagonian toothfish total length and sex ratio, while controlling for gear selectivity and season. Model predictions showed that juvenile toothfish live in shallow regions (shelf and banks) and move downward progressively up to 600 m while they grow. Between 600 m and 1200 m, the downward movement stops and fish settle at their preferred depths. While in this depth range, fish are ∼75 cm long and most vulnerable to fisheries. As they approach maturity large fish move downward to deep-sea habitats (from 1200 m to >2300 m) and head towards the spawning grounds on the western side of the plateau and around Skiff Bank. Importantly, the sex ratio was not evenly distributed across the Plateau; prediction maps revealed a higher proportion of females in the South whereas a strong male-bias sex ratio (70%) occurred in the North-West. Large-scale prediction maps derived from our models assisted in

  19. Fisheries 2016 Data

    Science.gov (United States)

    Fish collection data associated with the data analysis presented in Hoffman et al. 2016. Fisheries 41(1):26-37, DOI: 10.1080/03632415.2015.1114926This dataset is associated with the following publication:Hoffman , J., J. Schloesser, A. Trebitz , G. Peterson , M. Gutsch , H. Quinlan, and J. Kelly. Sampling design for early detection of aquatic invasive species in Great Lakes ports. FISHERIES. American Fisheries Society, Bethesda, MD, USA, 41(1): 26-37, (2016).

  20. a New Model of the Chemistry of Ionizing Radiation in Solids

    Science.gov (United States)

    Shingledecker, Christopher N.; Herbst, Eric

    2017-06-01

    Cosmic rays are a form of high energy radiation found throughout the galaxy that can cause significant physio-chemical changes in solids, such as interstellar dust grain ice-mantles. These particles consist mostly of protons and can initiate a solid-state irradiation chemistry of significant astrochemical interest. In order to better understand the chemical effects of long-term exposure to ionizing radiation, we have written a new Monte Carlo model, CIRIS: the Chemistry of Ionizing Radiation in Solids, which is, to the best of our knowledge, the first successful program of its kind to follow the damage and subsequent chemistry of an irradiated material over time. In our code, two distinct regimes are considered. One is dominated by the atomic physics of track calculations in which both the irradiating proton and the subsequently generated secondary electrons are followed on a collision by collision basis. The other regime occurs after the ion-target collision, in which mobile species are free to randomly hop throughout the bulk of the ice and react via a diffusive mechanism. Here, we will present an initial test of our code in which we have successfully modeled previous experimental work. In these simulations, we are able to reproduce the measured abundances and predict the approximate ice thickness used in that study.

  1. 77 FR 64305 - Fisheries of the Northeastern United States; Northeast Multispecies Fishery; Exempted Fishery for...

    Science.gov (United States)

    2012-10-19

    ... National Oceanic and Atmospheric Administration 50 CFR Part 648 RIN 0648-BC50 Fisheries of the Northeastern United States; Northeast Multispecies Fishery; Exempted Fishery for the Cape Cod Spiny Dogfish Fishery AGENCY: National Marine Fisheries Service (NMFS), National Oceanic and Atmospheric Administration (NOAA...

  2. Application of a bioeconomic model for supporting the management process of the small pelagic fishery in the Veneto Region, northern Adriatic Sea, Italy

    Directory of Open Access Journals (Sweden)

    Silvia Silvestri

    2009-09-01

    Full Text Available We explore the sustainability of the small pelagics fishery in the northern Adriatic sea, northeastern Italy, by means of a bioeconomic simulation model. This model reproduces the biological and economic conditions in which the fisheries occur. Starting from an initial condition (2004, the simulation model incorporates the biological and economic processes of the resources and the fishing fleet and computes the most probable future trajectory of the system under different management conditions. We analysed the projection of selected indicators (biomass, recruitment, catches, profits under four different management scenarios based on effort control, and we assessed the performance of these management measures against the current situation. The four scenarios were: i increase in fuel price, ii reduction in fuel price, iii limiting the number of days at sea, and iv extending the fishing period. Each management event was introduced in the third year of the simulation. For each scenario a stochastic simulation was carried out. Our results show that the impact of each management measure tested was not homogeneous across the fleet. In particular, comparatively smaller vessels generally display narrower profit margins and tend to be more sensitive to negative shocks, reinforcing the idea that management measures should be calibrated by stratifying the fleet before implementation.

  3. Mapping Fish Community Variables by Integrating Field and Satellite Data, Object-Based Image Analysis and Modeling in a Traditional Fijian Fisheries Management Area

    Directory of Open Access Journals (Sweden)

    Stacy Jupiter

    2011-03-01

    Full Text Available The use of marine spatial planning for zoning multi-use areas is growing in both developed and developing countries. Comprehensive maps of marine resources, including those important for local fisheries management and biodiversity conservation, provide a crucial foundation of information for the planning process. Using a combination of field and high spatial resolution satellite data, we use an empirical procedure to create a bathymetric map (RMSE 1.76 m and object-based image analysis to produce accurate maps of geomorphic and benthic coral reef classes (Kappa values of 0.80 and 0.63; 9 and 33 classes, respectively covering a large (>260 km2 traditional fisheries management area in Fiji. From these maps, we derive per-pixel information on habitat richness, structural complexity, coral cover and the distance from land, and use these variables as input in models to predict fish species richness, diversity and biomass. We show that random forest models outperform five other model types, and that all three fish community variables can be satisfactorily predicted from the high spatial resolution satellite data. We also show geomorphic zone to be the most important predictor on average, with secondary contributions from a range of other variables including benthic class, depth, distance from land, and live coral cover mapped at coarse spatial scales, suggesting that data with lower spatial resolution and lower cost may be sufficient for spatial predictions of the three fish community variables.

  4. Do organic surface films on sea salt aerosols influence atmospheric chemistry? ─ a model study

    Directory of Open Access Journals (Sweden)

    R. von Glasow

    2007-11-01

    Full Text Available Organic material from the ocean's surface can be incorporated into sea salt aerosol particles often producing a surface film on the aerosol. Such an organic coating can reduce the mass transfer between the gas phase and the aerosol phase influencing sea salt chemistry in the marine atmosphere. To investigate these effects and their importance for the marine boundary layer (MBL we used the one-dimensional numerical model MISTRA. We considered the uncertainties regarding the magnitude of uptake reduction, the concentrations of organic compounds in sea salt aerosols and the oxidation rate of the organics to analyse the possible influence of organic surfactants on gas and liquid phase chemistry with a special focus on halogen chemistry. By assuming destruction rates for the organic coating based on laboratory measurements we get a rapid destruction of the organic monolayer within the first meters of the MBL. Larger organic initial concentrations lead to a longer lifetime of the coating but lead also to an unrealistically strong decrease of O3 concentrations as the organic film is destroyed by reaction with O3. The lifetime of the film is increased by assuming smaller reactive uptake coefficients for O3 or by assuming that a part of the organic surfactants react with OH. With regard to tropospheric chemistry we found that gas phase concentrations for chlorine and bromine species decreased due to the decreased mass transfer between gas phase and aerosol phase. Aqueous phase chlorine concentrations also decreased but aqueous phase bromine concentrations increased. Differences for gas phase concentrations are in general smaller than for liquid phase concentrations. The effect on gas phase NO2 or NO is very small (reduction less than 5% whereas liquid phase NO2 concentrations increased in some cases by nearly 100%. We list suggestions for further laboratory studies which are needed for improved model studies.

  5. Sustainable fisheries management: Pacific salmon

    Science.gov (United States)

    Knudsen, E. Eric; Steward, Cleveland R.; MacDonald, Donald; Williams, Jack E.; Reiser, Dudley W.

    1999-01-01

    What has happened to the salmon resource in the Pacific Northwest? Who is responsible and what can be done to reverse the decline in salmon populations? The responsibly falls on everyone involved - fishermen, resource managers and concerned citizens alike - to take the steps necessary to ensure that salmon populations make a full recovery.This collection of papers examines the state of the salmon fisheries in the Pacific Northwest. They cover existing methods and supply model approaches for alternative solutions. The editors stress the importance of input from and cooperation with all parties involved to create a viable solution. Grass roots education and participation is the key to public support - and ultimately the success - of whatever management solutions are developed.A unique and valuable scientific publication, Sustainable Fisheries Management: Pacific Salmon clearly articulates the current state of the Pacific salmon resource, describes the key features of its management, and provides important guidance on how we can make the transition towards sustainable fisheries. The solutions presented in this book provide the basis of a strategy for sustainable fisheries, requiring society and governmental agencies to establish a shared vision, common policies, and a process for collaborative management.

  6. 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 (mineral precipitation behavior of acidic Australian lakes and hypothetical Martian brines. FREZCHEM is an equilibrium chemical thermodynamic model parameterized for concentrated electrolyte solutions using the Pitzer approach for the temperature range from 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

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

    International Nuclear Information System (INIS)

    Martinson, Liisa; Alveteg, Mattias; Warfvinge, Per

    2003-01-01

    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/m 2 in the late 1980s, well in line with experimental data

  8. Numerical Modeling of Climate-Chemistry Connections: Recent Developments and Future Challenges

    Directory of Open Access Journals (Sweden)

    Patrick Jöckel

    2013-05-01

    Full Text Available This paper reviews the current state and development of different numerical model classes that are used to simulate the global atmospheric system, particularly Earth’s climate and climate-chemistry connections. The focus is on Chemistry-Climate Models. In general, these serve to examine dynamical and chemical processes in the Earth atmosphere, their feedback, and interaction with climate. Such models have been established as helpful tools in addition to analyses of observational data. Definitions of the global model classes are given and their capabilities as well as weaknesses are discussed. Examples of scientific studies indicate how numerical exercises contribute to an improved understanding of atmospheric behavior. There, the focus is on synergistic investigations combining observations and model results. The possible future developments and challenges are presented, not only from the scientific point of view but also regarding the computer technology and respective consequences for numerical modeling of atmospheric processes. In the future, a stronger cross-linkage of subject-specific scientists is necessary, to tackle the looming challenges. It should link the specialist discipline and applied computer science.

  9. Cloud processing of gases and aerosols in the Community Multiscale Air Quality (CMAQ) model: Impacts of extended chemistry

    Science.gov (United States)

    Clouds and fogs can significantly impact the concentration and distribution of atmospheric gases and aerosols through chemistry, scavenging, and transport. This presentation summarizes the representation of cloud processes in the Community Multiscale Air Quality (CMAQ) modeling ...

  10. 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

  11. 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.

    2009-06-01

    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 (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-SO 4-NO 3-OH-HCO 3-CO 3-CO 2-O 2-CH 4-Si-H 2O 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-SO 4 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 acidities on Mars owing to colder temperatures, and (4) lateral salt patterns in WA lakes. The WA playa lakes display significant lateral variations in mineralogy and water

  12. A model-based telecoupling analysis for the Patagonian shelf: a new suggested template on how to study global seabirds-fisheries interactions for sustainability

    Science.gov (United States)

    Huettmann, F.; Raya Rey, A.

    2016-12-01

    The Southwest Atlantic Ocean, and the extended Patagonian shelf in particular, presents us with a very complex ecosystem of global relevance for food security and global peace. It is a highly productive area and it maintains a great diversity and abundance of seabird species. Fisheries have been identified as a main stressor for the marine ecosystems and as one of the main causes of seabird population declines. Using the framework of telecoupling - a sophisticated description of natural and socioeconomic interactions over large distances - here we present a fresh holistic look at the dynamic fisheries and (endangered) seabird interactions for the Patagonian shelf. While data are sparse, we employ machine learning-based predictions for a more holistic overview. We found that these waters of the Patagonian Shelf are significantly affected by many nations and outside players. We found that the input, output and spill-over of the Patagonian shelf ecosystem are distributed virtually all over the globe. In addition, we also found `losers' (=nations and their citizens that are left out entirely from this global resource and its governance). Our findings are based on best-available public trade and fish harvest analysis for this region, linked with predictive modeling (machine learning and geographic information systems GIS) to generalize for nine seabird species. We conveniently extend this analysis with a perspective from the financial sector and policy that enables the Patagonian fisheries as international investment and development projects. As increasingly recognized elsewhere, we believe that telecoupling can serve as a new but rather sophisticated study template highlighting wider complexities, bottlenecks and sensitivities for a vastly improved conservation research on oceans and global sustainability questions.

  13. Fisheries management and the value chain

    DEFF Research Database (Denmark)

    Nielsen, Max; Andersen, Peder; Ravensbeck, Lars

    2017-01-01

    management. The purpose of this paper is to address this gap. The model is applied to the pelagic fisheries of the Northeast Atlantic and considers the whole value chain, identifying resource rent and consumer and producer surpluses. The results show that the sum of the resource rent and the producer surplus......, to a lesser degree, to value chain gains. However, consumers will gain by moving from rent maximization to welfare maximization as long the fish stocks are above MSY levels.......We develop a model to identify the welfare-optimal management of fisheries that operate in the global economy. Historically, fisheries economics has mainly focused on the loss of rent due to fleet overcapacity and less on the potential welfare gain by having a broader approach to fisheries...

  14. A Two-Zone Multigrid Model for SI Engine Combustion Simulation Using Detailed Chemistry

    Directory of Open Access Journals (Sweden)

    Hai-Wen Ge

    2010-01-01

    Full Text Available An efficient multigrid (MG model was implemented for spark-ignited (SI engine combustion modeling using detailed chemistry. The model is designed to be coupled with a level-set-G-equation model for flame propagation (GAMUT combustion model for highly efficient engine simulation. The model was explored for a gasoline direct-injection SI engine with knocking combustion. The numerical results using the MG model were compared with the results of the original GAMUT combustion model. A simpler one-zone MG model was found to be unable to reproduce the results of the original GAMUT model. However, a two-zone MG model, which treats the burned and unburned regions separately, was found to provide much better accuracy and efficiency than the one-zone MG model. Without loss in accuracy, an order of magnitude speedup was achieved in terms of CPU and wall times. To reproduce the results of the original GAMUT combustion model, either a low searching level or a procedure to exclude high-temperature computational cells from the grouping should be applied to the unburned region, which was found to be more sensitive to the combustion model details.

  15. Class-modelling in food analytical chemistry: Development, sampling, optimisation and validation issues - A tutorial.

    Science.gov (United States)

    Oliveri, Paolo

    2017-08-22

    Qualitative data modelling is a fundamental branch of pattern recognition, with many applications in analytical chemistry, and embraces two main families: discriminant and class-modelling methods. The first strategy is appropriate when at least two classes are meaningfully defined in the problem under study, while the second strategy is the right choice when the focus is on a single class. For this reason, class-modelling methods are also referred to as one-class classifiers. Although, in the food analytical field, most of the issues would be properly addressed by class-modelling strategies, the use of such techniques is rather limited and, in many cases, discriminant methods are forcedly used for one-class problems, introducing a bias in the outcomes. Key aspects related to the development, optimisation and validation of suitable class models for the characterisation of food products are critically analysed and discussed. Copyright © 2017 Elsevier B.V. All rights reserved.

  16. 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.)

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

    Science.gov (United States)

    Chamizo, José A.

    2013-01-01

    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…

  18. Fisheries-induced disruptive selection.

    Science.gov (United States)

    Landi, Pietro; Hui, Cang; Dieckmann, Ulf

    2015-01-21

    Commercial harvesting is recognized to induce adaptive responses of life-history traits in fish populations, in particular by shifting the age and size at maturation through directional selection. In addition to such evolution of a target stock, the corresponding fishery itself may adapt, in terms of fishing policy, technological progress, fleet dynamics, and adaptive harvest. The aim of this study is to assess how the interplay between natural and artificial selection, in the simplest setting in which a fishery and a target stock coevolve, can lead to disruptive selection, which in turn may cause trait diversification. To this end, we build an eco-evolutionary model for a size-structured population, in which both the stock׳s maturation schedule and the fishery׳s harvest rate are adaptive, while fishing may be subject to a selective policy based on fish size and/or maturity stage. Using numerical bifurcation analysis, we study how the potential for disruptive selection changes with fishing policy, fishing mortality, harvest specialization, life-history tradeoffs associated with early maturation, and other demographic and environmental parameters. We report the following findings. First, fisheries-induced disruptive selection is readily caused by commonly used fishing policies, and occurs even for policies that are not specific for fish size or maturity, provided that the harvest is sufficiently adaptive and large individuals are targeted intensively. Second, disruptive selection is more likely in stocks in which the selective pressure for early maturation is naturally strong, provided life-history tradeoffs are sufficiently consequential. Third, when a fish stock is overexploited, fisheries targeting only large individuals might slightly increase sustainable yield by causing trait diversification (even though the resultant yield always remains lower than the maximum sustainable yield that could be obtained under low fishing mortality, without causing disruptive

  19. Diagnostic tools for evaluating quasi-horizontal transport in global-scale chemistry models

    Science.gov (United States)

    Lee, Huikyo; Youn, Daeok; Patten, Kenneth O.; Olsen, Seth C.; Wuebbles, Donald J.

    2012-10-01

    The upper troposphere and lower stratosphere (UTLS) plays an important role in climate and atmospheric chemistry. Despite its importance on the point of causing deep intrusions of tropics originated air into the midlatitudes, the quasi-horizontal transport process in the UTLS, represented by global chemistry-transport models (CTMs) or chemistry-climate models (CCMs), cannot easily be diagnosed with conventional analyses on isobaric surfaces. We use improved diagnostic tools to better evaluate CTMs and CCMs relative to satellite observations in the region of UTLS. Using the Hellinger distance, vertical profiles of probability density functions (PDFs) of chemical tracers simulated by the Model for OZone And Related chemical Tracers 3.1 (MOZART-3.1) are quantitatively compared with satellite data from the Microwave Limb Sounder (MLS) instrument in the tropopause relative altitude coordinate to characterize features of tracer distributions near the tropopause. Overall, the comparison of PDFs between MLS and MOZART-3.1 did not satisfy the same population assumption. Conditional PDFs are used to understand the meteorological differences between global climate models and the real atmosphere and the conditional PDFs between MOZART-3.1 and MLS showed better agreement compared to the original PDFs. The low static stability during high tropopause heights at midlatitudes suggests that the variation of tropopause height is related to transport processes from the tropics to midlatitudes. MOZART-3.1 with the GEOS4 GCM winds reproduces episodes of the tropical air intrusions. However, our diagnostic analyses show that the GEOS4 GCM did not properly reproduce the high tropopause cases at midlatitudes especially in spring.

  20. Continuing education needs for fishery professionals: a survey of North American fisheries administrators

    Science.gov (United States)

    Rassam, G.N.; Eisler, R.

    2001-01-01

    North American fishery professionals? continuing education needs were investigated in an American Fisheries Society questionnaire sent to 111 senior fishery officials in winter 2000. Based on a response rate of 52.2% (N = 58), a minimum of 2,967 individuals would benefit from additional training, especially in the areas of statistics and analysis (83% endorsement rate), restoration and enhancement (81%), population dynamics (81%), multi-species interactions (79%), and technical writing (79%). Other skills and techniques recommended by respondents included computer skills (72%), fishery modeling (69%), habitat modification (67%), watershed processes (66%), fishery management (64%), riparian and stream ecology (62%), habitat management (62%), public administration (62%), nonindigenous species (57%), and age and growth (55%). Additional comments by respondents recommended new technical courses, training in various communications skills, and courses to more effectively manage workloads.

  1. A Stage-Structured Prey-Predator Fishery Model In The Presence Of Toxicity With Taxation As A Control Parameter of Harvesting Effort

    Directory of Open Access Journals (Sweden)

    Sumit Kaur Bhatia

    2017-08-01

    Full Text Available In this paper we have considered stage-structured fishery model in the presence of toxicity, which is diminishing due to the current excessive use of fishing efforts resulting in devastating consequences. The purpose of this study is to propose a bio-economic mathematical model by introducing taxes to the profit per unit biomass of the harvested fish of each species with the intention of controlling fishing efforts in the presence of toxicity. We obtained both boundary and interior equilibrium points along with the conditions ensuring their validity. Local stability for the interior equilibrium point has been found by the trace-determinant criterion and global stability has been analyzed through a suitable Lyapunov function. We have also obtained the optimal harvesting policy with the help of Pontryagin's maximum principle. Lastly, numerical simulation with the help of MATLAB have been done and thus, the results of the formulated model have been established.

  2. Circumstellar chemistry

    International Nuclear Information System (INIS)

    Glassgold, A.E.

    1989-01-01

    Circumstellar chemistry has a special role in astrochemistry because the astrophysical conditions in the circumstellar envelopes of red giants are frequently well known and clear tests of chemical models are feasible. Recent advances in astronomical observations now offer opportunities to test relevant theories of molecule formation, especially in carbon-rich environments. Many new molecules have recently been discovered using radio and infrared techniques and high spatial resolution maps obtained with large telescopes and interferometers indicate where complex molecules are being formed in these envelopes. A large body of observational data can be understood in terms of the photochemical model, which embraces relevant elements of equilibrium chemistry, photodissociation, and ion-molecule chemistry of the photo-products. A critical review of the photochemical model will be presented together with new results on the synthesis of hydrocarbon molecules and silicon and sulfur compounds

  3. 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.

  4. Validation of a Grid Independent Spray Model and Fuel Chemistry Mechanism for Low Temperature Diesel Combustion

    Directory of Open Access Journals (Sweden)

    Takeshi Yoshikawa

    2009-09-01

    Full Text Available Spray and combustion submodels used in a Computational Fluid Dynamics (CFD code, KIVACHEMKIN, were validated for Low Temperature Combustion (LTC in a diesel engine by comparing measured and model predicted fuel spray penetrations, and in-cylinder distributions of OH and soot. The conditions considered were long ignition delay, early and late fuel injection cases. It was found that use of a grid independent spray model, called the GASJET model, with an improved n-heptane chemistry mechanism can well predict the heat release rate, not only of the main combustion stage, but also of the cool flame stage. Additionally, the GASJET model appropriately predicts the distributions of OH and soot in the cylinder even when the resolution of the computational mesh is decreased by half, which significantly reduces the required computational time.

  5. Modelling Studies With a Coupled Canopy Atmospheric Chemistry Emission Model on Trace Gas Exchange and Gas Phase Chemistry in a Norway Spruce Forest

    Science.gov (United States)

    Forkel, R.; Klemm, O.; Graus, M.; Rappengl{Ü}Ck, B.; Stockwell, W. R.; Grabmer, W.; Held, A.; Hansel, A.; Steinbrecher, R.

    2006-12-01

    Within the joint project BEWA2000 modelling studies were performed in combination with field campaigns in a Norway spruce forest at the Waldstein site in NE Bavaria. Although located in a comparatively remote region the Waldstein site is still affected by a certain background of anthropogenic pollution which can influence BVOC degradation and product formation. The role of chemical degradation of biogenic volatile organic compounds and the effect of dynamical processes on BVOC and product mixing ratios within and above forest canopies have been investigated by applying the one-dimensional canopy-chemistry model CACHE. The simulations with CACHE permit the interpretation of observed features of the diurnal cycles of ozone and VOC mixing ratios by investigating the effect of turbulent exchange, chemical formation and degradation, emission, and deposition during the course of the day. For the conditions given at the Waldstein site chemical BVOC degradation within the canopy was found to reduce the BVOC fluxes into the atmosphere by 10 - 15 % as compared to the emission fluxes on branch basis. Furthermore, the simulations show that BVOC degradation by the NO3 can occur in the lower part of the canopy also during daytime and that this effect is strongly influenced by the presence of advected NOx and local NO emissions from the soil. The simulation results emphasize the role of deposition for the concentrations of BVOC oxidation products and indicate that further research is still necessary concerning the emission and deposition of aldehydes and ketones.

  6. Optimization of Grignard Addition to Esters: Kinetic and Mechanistic Study of Model Phthalide using Flow Chemistry

    DEFF Research Database (Denmark)

    Pedersen, Michael J.; Born, Stephen; Neuenschwander, Ulrich

    2018-01-01

    The kinetics of sequential addition of a distinct Grignard species onto a lactone is studied by flow chemistry. The experimental data are shown to be consistent with a kinetic model based on four reaction steps, reaction of ester to magnesium hemiacetal, rearrangement to ketone (forward...... and backward) and reaction of ketone to tertiary alcohol upon quenching. The experimental derived reaction mechanism is supported by ab initio molecular computations, and the predicted activation energy is in good agreement with the experimental observations. The Grignard reaction follows a substrate...

  7. Analysis co-regulation model of safety of fishery products in Morocco through the example of “histamine”, “parasites” and “sulphites” dangers

    Directory of Open Access Journals (Sweden)

    S. Dahani

    2018-01-01

    Full Text Available Co-regulation in food safety represents the shared responsibility between food business operators and the competent authority (CA to ensure food safety and to comply with the health requirements of importing countries. The evolution of food regulation on one hand and the quality assurance of the veterinary services of the ONSSA according to the ISO 17020 standard on the other hand, need studying the regulation model adopted at national level. The objective of this work is to analyze the main health risks associated with fishery products from a co-regulatory perspective. The hazards targeted by this study are histamine, parasites and sulfites. The approach is based on structured interviews with fishery products professionals and veterinary inspectors responsible for control and certification. The main hazards are controlled by adopting health control plans (PMS by the professionals within the establishments as well as the official control carried out by the inspecting veterinarians. The PMS implementation can produce conflicting injunctions for the veterinary inspectors of the competent authority.

  8. Multivariate Calibration and Model Integrity for Wood Chemistry Using Fourier Transform Infrared Spectroscopy

    Directory of Open Access Journals (Sweden)

    Chengfeng Zhou

    2015-01-01

    Full Text Available This research addressed a rapid method to monitor hardwood chemical composition by applying Fourier transform infrared (FT-IR spectroscopy, with particular interest in model performance for interpretation and prediction. Partial least squares (PLS and principal components regression (PCR were chosen as the primary models for comparison. Standard laboratory chemistry methods were employed on a mixed genus/species hardwood sample set to collect the original data. PLS was found to provide better predictive capability while PCR exhibited a more precise estimate of loading peaks and suggests that PCR is better for model interpretation of key underlying functional groups. Specifically, when PCR was utilized, an error in peak loading of ±15 cm−1 from the true mean was quantified. Application of the first derivative appeared to assist in improving both PCR and PLS loading precision. Research results identified the wavenumbers important in the prediction of extractives, lignin, cellulose, and hemicellulose and further demonstrated the utility in FT-IR for rapid monitoring of wood chemistry.

  9. A model study of the plasma chemistry of stratospheric Blue Jets

    Science.gov (United States)

    Winkler, Holger; Notholt, Justus

    2015-04-01

    Stratospheric Blue Jets (BJs) are upward propagating discharges in the altitude range 15-40 km above thunderstorms. They appear as conical bodies of blue light originating at the top of thunderclouds and proceed upward with velocities of the order of 100 km/s. Electric discharges in the atmosphere are known to have chemical effects. Of particular interest is the liberation of atomic oxygen and the formation of reactive nitrogen radicals. We have used a numerical plasma chemistry model in order to simulate the chemical processes in stratospheric BJs. It was applied to BJ streamers in the altitude range 18-38 km. The model results show that there is a production of ozone from atomic oxygen liberated at the streamer tips. At the same time, significant amounts of nitric oxide are produced. Compared to earlier plasma chemistry simulations of BJ streamers, the production of NO and O3 is by orders of magnitude larger. Additionally, the chemical processes in the leader part of a BJ have been simulated for the first time. In the leader channel, driven by high-temperature reactions, the concentration of N2O and NO increases by several orders of magnitude, and there is a significant depletion of ozone. The model results might gain importance by the fact that the chemical perturbations in BJs are largest at altitudes of the stratospheric ozone layer.

  10. Water and complex organic chemistry in the cold dark cloud Barnard 5: Observations and Models

    Science.gov (United States)

    Wirström, Eva; Charnley, Steven B.; Taquet, Vianney; Persson, Carina M.

    2015-08-01

    Studies of complex organic molecule (COM) formation have traditionally been focused on hot cores in regions of massive star formation, where chemistry is driven by the elevated temperatures - evaporating ices and allowing for endothermic reactions in the gas-phase. As more sensitive instruments have become available, the types of objects known to harbour COMs like acetaldehyde (CH3CHO), dimethyl ether (CH3OCH3), methyl formate (CH3OCHO), and ketene (CH2CO) have expanded to include low mass protostars and, recently, even pre-stellar cores. We here report on the first in a new category of objects harbouring COMs: the cold dark cloud Barnard 5 where non-thermal ice desorption induce complex organic chemistry entirely unrelated to local star-formation.Methanol, which only forms efficiently on the surfaces of dust grains, provide evidence of efficient non-thermal desorption of ices in the form of prominent emission peaks offset from protostellar activity and high density tracers in cold molecular clouds. A study with Herschel targeting such methanol emission peaks resulted in the first ever detection of gas-phase water offset from protostellar activity in a dark cloud, at the so called methanol hotspot in Barnard 5.To model the effect a transient injection of ices into the gas-phase has on the chemistry of a cold, dark cloud we have included gas-grain interactions in an existing gas-phase chemical model and connected it to a chemical reaction network updated and expanded to include the formation and destruction paths of the most common COMs. Results from this model will be presented.Ground-based follow-up studies toward the methanol hotspot in B5 have resulted in the detection of a number of COMs, including CH2CO, CH3CHO, CH3OCH3, and CH3OCHO, as well as deuterated methanol (CH2DOH). Observations have also confirmed that COM emission is extended and not localised to a core structure. The implications of these observational and theoretical studies of B5 will be discussed

  11. Uncertainty estimation and ensemble forecast with a chemistry-transport model - Application to air-quality modeling and simulation

    International Nuclear Information System (INIS)

    Mallet, Vivien

    2005-01-01

    The thesis deals with the evaluation of a chemistry-transport model, not primarily with classical comparisons to observations, but through the estimation of its a priori uncertainties due to input data, model formulation and numerical approximations. These three uncertainty sources are studied respectively on the basis of Monte Carlos simulations, multi-models simulations and numerical schemes inter-comparisons. A high uncertainty is found, in output ozone concentrations. In order to overtake the limitations due to the uncertainty, a solution is ensemble forecast. Through combinations of several models (up to forty-eight models) on the basis of past observations, the forecast can be significantly improved. The achievement of this work has also led to develop the innovative modelling-system Polyphemus. (author) [fr

  12. Expertise in soccer teams: A thematic inquiry into the role of shared mental models within team chemistry

    OpenAIRE

    Gershgoren, Lael; Basevitch, Itay; Filho, Edson; Gershgoren, Aaron; Brill, Yaron S.; Schinke, Robert J.; Tenenbaum, Gershon

    2015-01-01

    Aims. The purpose of the current study was to establish a conceptual framework of team chemistry components in sport with an emphasis on Shared Mental Models (SMM).\\ud Method. Elite soccer coaches (n = 6) and players (n = 3) were interviewed using a semi-structured interview guide. An inductive thematic analysis was employed to analyze the data. Results. Four themes related to team chemistry components were identified: (1) members' characteristics (i.e., demographic data, on-field characteris...

  13. Dynamic patterns of overexploitation in fisheries.

    Science.gov (United States)

    Perissi, Ilaria; Bardi, Ugo; El Asmar, Toufic; Lavacchi, Alessandro

    2017-09-10

    Understanding overfishing and regulating fishing quotas is a major global challenge for the 21st Century both in terms of providing food for humankind and to preserve the oceans' ecosystems. However, fishing is a complex economic activity, affected not just by overfishing but also by such factors as pollution, technology, financial factors and more. For this reason, it is often difficult to state with complete certainty that overfishing is the cause of the decline of a fishery. In this study, we developed a simple dynamic model specifically designed to isolate and to study the role of depletion on production. The model is based on the well-known Lotka-Volterra model, or Prey-Predator mechanism, assuming that the fish stock and the fishing industry are coupled variables that dynamically affect each other. In the model, the fishing industry acts as the "predator" and the fish stock as the "prey". If the model can fit historical data, in particular relative to the productive decline of specific fisheries, then we have a strong indication that the decline of the fish stock is driving the decline of the fishery production. The model doesn't pretend to be a general description of the fishing industry in all its varied forms; however, the data reported here show that the model can describe several historical cases of fisheries whose production decreased and collapsed, indicating that the overexploitation of the fish stocks is an important factor in the decline of fisheries.

  14. Tropospheric O3 distribution over the Indian Ocean during spring 1995 evaluated with a chemistry-climate model

    NARCIS (Netherlands)

    Laat, A.T.J. de; Zachariasse, M.; Roelofs, G.J.H.; Velthoven, P. van; Dickerson, R.R.; Rhoads, K.P.; Oltmans, S.J.; Lelieveld, J.

    1999-01-01

    An analysis of tropospheric O 3 over the Indian Ocean during spring 1995 is presented based on O 3 soundings and results from the chemistry-general circulation model ECHAM (European Centre Hamburg Model). The ECHAM model is nudged towards actual meteorology using ECMWF analyses, to enable a

  15. CROATIAN FISHERIES IN 2007

    Directory of Open Access Journals (Sweden)

    Ante Mišura

    2008-10-01

    Full Text Available This work deals with all the relevant statistic data regarding fisheries of Republic of Croatia, including freshwater fisheries data (aquaculture of fish and other aquatic organisms, commercial and sports fisheries, marine fisheries data (mariculture, commercial fisheries, small–scale fisheries and processing of fish and other marine organisms, as well as data about import and export of fish and fish products and the data about financial subventions in fisheries. The total freshwater fish production in 2007 was 5,797 tons (4,151 tons of warm–water species and 1,646 tons of cold–water species. Total areas and production areas in 2007 was 5,558.66. Total catch of freshwater fish in 2007 was 697 tons. The total marine fish species production in 2007 was 4,000 tons, production of tuna 4,180 tons, mussels 3,000 tons and oysters 1,000,000 pieces. The catch of marine fish was increased by 6.09% comparing to 2006 (increase was noticed for white and blue fish species. During 2007 there were no significant changes regarding the number of commercial fishermen comparing to the last two years, while the number of small–scale fishermen increased 0.4 % comparing to the last year. The total production of fish products in 2007 was 15,349 tons, which is 11.6 % less comparing to 2006.

  16. One-Dimensional Transport with Equilibrium Chemistry (OTEQ) - A Reactive Transport Model for Streams and Rivers

    Science.gov (United States)

    Runkel, Robert L.

    2010-01-01

    OTEQ is a mathematical simulation model used to characterize the fate and transport of waterborne solutes in streams and rivers. The model is formed by coupling a solute transport model with a chemical equilibrium submodel. The solute transport model is based on OTIS, a model that considers the physical processes of advection, dispersion, lateral inflow, and transient storage. The equilibrium submodel is based on MINTEQ, a model that considers the speciation and complexation of aqueous species, acid-base reactions, precipitation/dissolution, and sorption. Within OTEQ, reactions in the water column may result in the formation of solid phases (precipitates and sorbed species) that are subject to downstream transport and settling processes. Solid phases on the streambed may also interact with the water column through dissolution and sorption/desorption reactions. Consideration of both mobile (waterborne) and immobile (streambed) solid phases requires a unique set of governing differential equations and solution techniques that are developed herein. The partial differential equations describing physical transport and the algebraic equations describing chemical equilibria are coupled using the sequential iteration approach. The model's ability to simulate pH, precipitation/dissolution, and pH-dependent sorption provides a means of evaluating the complex interactions between instream chemistry and hydrologic transport at the field scale. This report details the development and application of OTEQ. Sections of the report describe model theory, input/output specifications, model applications, and installation instructions. OTEQ may be obtained over the Internet at http://water.usgs.gov/software/OTEQ.

  17. Coupling dynamics and chemistry in the air pollution modelling of street canyons: A review.

    Science.gov (United States)

    Zhong, Jian; Cai, Xiao-Ming; Bloss, William James

    2016-07-01

    Air pollutants emitted from vehicles in street canyons may be reactive, undergoing mixing and chemical processing before escaping into the overlying atmosphere. The deterioration of air quality in street canyons occurs due to combined effects of proximate emission sources, dynamical processes (reduced dispersion) and chemical processes (evolution of reactive primary and formation of secondary pollutants). The coupling between dynamics and chemistry plays a major role in determining street canyon air quality, and numerical model approaches to represent this coupling are reviewed in this article. Dynamical processes can be represented by Computational Fluid Dynamics (CFD) techniques. The choice of CFD approach (mainly the Reynolds-Averaged Navier-Stokes (RANS) and Large-Eddy Simulation (LES) models) depends on the computational cost, the accuracy required and hence the application. Simplified parameterisations of the overall integrated effect of dynamics in street canyons provide capability to handle relatively complex chemistry in practical applications. Chemical processes are represented by a chemical mechanism, which describes mathematically the chemical removal and formation of primary and secondary species. Coupling between these aspects needs to accommodate transport, dispersion and chemical reactions for reactive pollutants, especially fast chemical reactions with time scales comparable to or shorter than those of typical turbulent eddies inside the street canyon. Different approaches to dynamical and chemical coupling have varying strengths, costs and levels of accuracy, which must be considered in their use for provision of reference information concerning urban canopy air pollution to stakeholders considering traffic and urban planning policies. Copyright © 2016 Elsevier Ltd. All rights reserved.

  18. Treatment of Electronic Energy Level Transition and Ionization Following the Particle-Based Chemistry Model

    Science.gov (United States)

    Liechty, Derek S.; Lewis, Mark

    2010-01-01

    A new method of treating electronic energy level transitions as well as linking ionization to electronic energy levels is proposed following the particle-based chemistry model of Bird. Although the use of electronic energy levels and ionization reactions in DSMC are not new ideas, the current method of selecting what level to transition to, how to reproduce transition rates, and the linking of the electronic energy levels to ionization are, to the author s knowledge, novel concepts. The resulting equilibrium temperatures are shown to remain constant, and the electronic energy level distributions are shown to reproduce the Boltzmann distribution. The electronic energy level transition rates and ionization rates due to electron impacts are shown to reproduce theoretical and measured rates. The rates due to heavy particle impacts, while not as favorable as the electron impact rates, compare favorably to values from the literature. Thus, these new extensions to the particle-based chemistry model of Bird provide an accurate method for predicting electronic energy level transition and ionization rates in gases.

  19. The Effects of a Flipped Classroom Model of Instruction on Students' Performance and Attitudes Towards Chemistry

    Science.gov (United States)

    Olakanmi, Eunice Eyitayo

    2017-02-01

    This study establishes the effects of a flipped classroom model of instruction on academic performance and attitudes of 66 first-year secondary school students towards chemistry. A pre-test and post-test experimental design was employed to assign students randomly into either the experimental or control group. In order to assess the suitability of using flipped model of instruction, students were divided in two groups. For the first group called the experimental group, a "flipped classroom" was used in which the students were given video lessons and reading materials, before the class to be revised at home. On the other hand, the second group followed traditional methodology, and it was used as control. The rate of reaction knowledge test and the chemistry attitude scale were administered. In addition, the researcher documented classroom observations, experiences, thoughts and insights regarding the intervention in a journal on a daily basis in order to enrich the data. Students were interviewed at the end of the research in order to enrich the qualitative data also. Findings from this study reveal that the flipped instruction model facilitates a shift in students' conceptual understanding of the rate of chemical reaction significantly more than the control condition. Positive significant differences were found on all assessments with the flipped class students performing higher on average. Students in the flipped classroom model condition benefited by preparing for the lesson before the classes and had the opportunity to interact with peers and the teacher during the learning processes in the classroom. The findings support the notion that teachers should be trained or retrained on how to incorporate the flipped classroom model into their teaching and learning processes because it encourages students to be directly involved and active in the learning.

  20. Nonlinear regression and ARIMA models for precipitation chemistry in East Central Florida from 1978 to 1997

    International Nuclear Information System (INIS)

    Nickerson, David M.; Madsen, Brooks C.

    2005-01-01

    Continuous monitoring of precipitation in East Central Florida has occurred since 1978 at a sampling site located on the University of Central Florida (UCF) campus. Monthly volume-weighted average (VWA) concentration for several major analytes that are present in precipitation samples was calculated from samples collected daily. Monthly VWA concentration and wet deposition of H + , NH 4 + , Ca 2+ , Mg 2+ , NO 3 - , Cl - and SO 4 2- were evaluated by a nonlinear regression (NLR) model that considered 10-year data (from 1978 to 1987) and 20-year data (from 1978 to 1997). Little change in the NLR parameter estimates was indicated among the 10-year and 20-year evaluations except for general decreases in the predicted trends from the 10-year to the 20-year fits. Box-Jenkins autoregressive integrated moving average (ARIMA) models with linear trend were considered as an alternative to the NLR models for these data. The NLR and ARIMA model forecasts for 1998 were compared to the actual 1998 data. For monthly VWA concentration values, the two models gave similar results. For the wet deposition values, the ARIMA models performed considerably better. - Autoregressive integrated moving average models of precipitation data are an improvement over nonlinear models for the prediction of precipitation chemistry composition

  1. Modelling the urban air quality in Hamburg with the new city-scale chemistry transport model CityChem

    Science.gov (United States)

    Karl, Matthias; Ramacher, Martin; Aulinger, Armin; Matthias, Volker; Quante, Markus

    2017-04-01

    Air quality modelling plays an important role by providing guidelines for efficient air pollution abatement measures. Currently, most urban dispersion models treat air pollutants as passive tracer substances or use highly simplified chemistry when simulating air pollutant concentrations on the city-scale. The newly developed urban chemistry-transport model CityChem has the capability of modelling the photochemical transformation of multiple pollutants along with atmospheric diffusion to produce pollutant concentration fields for the entire city on a horizontal resolution of 100 m or even finer and a vertical resolution of 24 layers up to 4000 m height. CityChem is based on the Eulerian urban dispersion model EPISODE of the Norwegian Institute for Air Research (NILU). CityChem treats the complex photochemistry in cities using detailed EMEP chemistry on an Eulerian 3-D grid, while using simple photo-stationary equilibrium on a much higher resolution grid (receptor grid), i.e. close to industrial point sources and traffic sources. The CityChem model takes into account that long-range transport contributes to urban pollutant concentrations. This is done by using 3-D boundary concentrations for the city domain derived from chemistry-transport simulations with the regional air quality model CMAQ. For the study of the air quality in Hamburg, CityChem was set-up with a main grid of 30×30 grid cells of 1×1 km2 each and a receptor grid of 300×300 grid cells of 100×100 m2. The CityChem model was driven with meteorological data generated by the prognostic meteorology component of the Australian chemistry-transport model TAPM. Bottom-up inventories of emissions from traffic, industry, households were based on data of the municipality of Hamburg. Shipping emissions for the port of Hamburg were taken from the Clean North Sea Shipping project. Episodes with elevated ozone (O3) were of specific interest for this study, as these are associated with exceedances of the World

  2. Modeling of meteorology, chemistry and aerosol for the 2017 Utah Winter Fine Particle Study

    Science.gov (United States)

    McKeen, S. A.; Angevine, W. M.; McDonald, B.; Ahmadov, R.; Franchin, A.; Middlebrook, A. M.; Fibiger, D. L.; McDuffie, E. E.; Womack, C.; Brown, S. S.; Moravek, A.; Murphy, J. G.; Trainer, M.

    2017-12-01

    The Utah Winter Fine Particle Study (UWFPS-17) field project took place during January and February of 2017 within the populated region of the Great Salt Lake, Utah. The study focused on understanding the meteorology and chemistry associated with high particulate matter (PM) levels often observed near Salt Lake City during stable wintertime conditions. Detailed composition and meteorological observations were taken from the NOAA Twin-Otter aircraft and several surface sites during the study period, and extremely high aerosol conditions were encountered for two cold-pool episodes occurring in the last 2 weeks of January. A clear understanding of the photochemical and aerosol processes leading to these high PM events is still lacking. Here we present high spatiotemporal resolution simulations of meteorology, PM and chemistry over Utah from January 13 to February 1, 2017 using the WRF/Chem photochemical model. Correctly characterizing the meteorology is difficult due to the complex terrain and shallow inversion layers. We discuss the approach and limitations of the simulated meteorology, and evaluate low-level pollutant mixing using vertical profiles from missed airport approaches by the NOAA Twin-Otter performed routinely during each flight. Full photochemical simulations are calculated using NOx, ammonia and VOC emissions from the U.S. EPA NEI-2011 emissions inventory. Comparisons of the observed vertical column amounts of NOx, ammonia, aerosol nitrate and ammonium with model results shows the inventory estimates for ammonia emissions are low by a factor of four and NOx emissions are low by nearly a factor of two. The partitioning of both nitrate and NH3 between gas and particle phase depends strongly on the NH3 and NOx emissions to the model and calculated NOx to nitrate conversion rates. These rates are underestimated by gas-phase chemistry alone, even though surface snow albedo increases photolysis rates by nearly a factor of two. Several additional conversion

  3. Effects of fishing effort allocation scenarios on energy efficiency and profitability: an individual-based model applied to Danish fisheries

    DEFF Research Database (Denmark)

    Bastardie, Francois; Nielsen, J. Rasmus; Andersen, Bo Sølgaard

    2010-01-01

    Global concerns about CO2 emissions, national CO2 quotas, and rising fuel prices are incentives for the commercial fishing fleet industry to change their fishing practices and reduce fuel consumption, which constitutes a significant part of fishing costs. Vessel-based fuel consumption, energy...... against three alternative effort allocation scenarios for the assumed fishermen's adaptation to these factors: (A) preferring nearby fishing grounds rather than distant grounds with potentially larger catches and higher values, (B) shifting to other fisheries targeting resources located closer...... engine specifications, and fish and fuel prices. The outcomes of scenarios A and B indicate a trade-off between fuel savings and energy efficiency improvements when effort is displaced closer to the harbour compared to reductions in total landing amounts and profit. Scenario C indicates that historic...

  4. Deconstructing Constructivism: Modeling Causal Relationships Among Constructivist Learning Environment Factors and Student Outcomes in Introductory Chemistry

    Science.gov (United States)

    Komperda, Regis

    The purpose of this dissertation is to test a model of relationships among factors characterizing aspects of a student-centered constructivist learning environment and student outcomes of satisfaction and academic achievement in introductory undergraduate chemistry courses. Constructivism was chosen as the theoretical foundation for this research because of its widespread use in chemical education research and practice. In a constructivist learning environment the role of the teacher shifts from delivering content towards facilitating active student engagement in activities that encourage individual knowledge construction through discussion and application of content. Constructivist approaches to teaching introductory chemistry courses have been adopted by some instructors as a way to improve student outcomes, but little research has been done on the causal relationships among particular aspects of the learning environment and student outcomes. This makes it difficult for classroom teachers to know which aspects of a constructivist teaching approach are critical to adopt and which may be modified to better suit a particular learning environment while still improving student outcomes. To investigate a model of these relationships, a survey designed to measure student perceptions of three factors characterizing a constructivist learning environment in online courses was adapted for use in face-to-face chemistry courses. These three factors, teaching presence, social presence, and cognitive presence, were measured using a slightly modified version of the Community of Inquiry (CoI) instrument. The student outcomes investigated in this research were satisfaction and academic achievement, as measured by standardized American Chemical Society (ACS) exam scores and course grades. Structural equation modeling (SEM) was used to statistically model relationships among the three presence factors and student outcome variables for 391 students enrolled in six sections of a

  5. Evaluation of a regional chemistry transport model using a newly developed regional OMI NO2 retrieval

    Science.gov (United States)

    Kuhlmann, G.; Lam, Y. F.; Cheung, H. M.; Hartl, A.; Fung, J. C. H.; Chan, P. W.; Wenig, M. O.

    2014-12-01

    In this paper, we evaluate a high-resolution chemistry transport model (CTM) (3 km x 3 km spatial resolution) with the new Hong Kong (HK) NO2 retrieval developed for the Ozone Monitoring Instrument (OMI) on-board the Aura satellite. The three-dimensional atmospheric chemistry was modelled in the Pearl River Delta (PRD) region in southern China by the Models-3 Community Multiscale Air Quality (CMAQ) modelling system from October 2006 to January 2007. In the HK NO2 retrieval, tropospheric air mass factors (AMF) were recalculated using high-resolution ancillary parameters of surface reflectance, NO2 profile shapes and aerosol profiles of which the latter two were taken from the CMAQ simulation. We also tested four different aerosol parametrizations. Ground level measurements by the PRD Regional Air Quality Monitoring (RAQM) network were used as additional independent measurements. The HK NO2 retrieval increases the NO2 vertical column densities (VCD) by (+31 ± 38) %, when compared to NASA's standard product (SP2), and reduces the mean bias (MB) between satellite and ground measurements by 26 percentage points from -41 to -15 %. The correlation coefficient r is low for both satellite datasets (r = 0.35) due to the high spatial variability of NO2 concentrations. The correlation between CMAQ and the RAQM network is low (r ≈ 0.3) and the model underestimates the NO2 concentrations in the north-western model domain (Foshan and Guangzhou). We compared the CMAQ NO2 time series of the two main plumes with our regional OMI NO2 product. The model overestimates the NO2 VCDs by about 15 % in Hong Kong and Shenzhen, while the correlation coefficient is satisfactory (r = 0.56). In Foshan and Guangzhou, the correlation is low (r = 0.37) and the model underestimates the VCDs strongly (MB = -40 %). In addition, we estimated that the OMI VCDs are also underestimated by about 10 to 20 % in Foshan and Guangzhou because of the influence of the model parameters on the AMF. In this study

  6. On determining important aspects of mathematical models: Application to problems in physics and chemistry

    Science.gov (United States)

    Rabitz, Herschel

    1987-01-01

    The use of parametric and functional gradient sensitivity analysis techniques is considered for models described by partial differential equations. By interchanging appropriate dependent and independent variables, questions of inverse sensitivity may be addressed to gain insight into the inversion of observational data for parameter and function identification in mathematical models. It may be argued that the presence of a subset of dominantly strong coupled dependent variables will result in the overall system sensitivity behavior collapsing into a simple set of scaling and self similarity relations amongst elements of the entire matrix of sensitivity coefficients. These general tools are generic in nature, but herein their application to problems arising in selected areas of physics and chemistry is presented.

  7. Implementation of the anaerobic digestion model (ADM1) in the PHREEQC chemistry engine.

    Science.gov (United States)

    Huber, Patrick; Neyret, Christophe; Fourest, Eric

    2017-09-01

    Anaerobic digestion is state-of-the-art technology to treat sludge and effluents from various industries. Modelling and optimisation of digestion operations can be advantageously performed using the anaerobic digestion model (ADM1) from the International Water Association. The ADM1, however, lacks a proper physico-chemical framework, which makes it difficult to consider wastewater of complex ionic composition and supersaturation phenomena. In this work, we present a direct implementation of the ADM1 within the PHREEQC chemistry engine. This makes it possible to handle ionic strength effects and ion-pairing. Thus, multiple mineral precipitation phenomena can be handled while resolving the ADM1. All these features can be accessed with very little programming effort, while retaining the full power and flexibility of PHREEQC. The distributed PHREEQC code can be easily interfaced with process simulation software for future plant-wide simulation of both wastewater and sludge treatment.

  8. Intermolecular Forces in Introductory Chemistry Studied by Gas Chromatography, Computer Models, and Viscometry

    Science.gov (United States)

    Wedvik, Jonathan C.; McManaman, Charity; Anderson, Janet S.; Carroll, Mary K.

    1998-07-01

    An experiment on intermolecular forces for first-term introductory college chemistry is presented. The experiment integrates traditional viscometry-based measurements with modern chromatographic analysis and use of computer-based molecular models. Students performing gas chromatographic (GC) analyses of mixtures of n-alkanes and samples that simulate crime scene evidence discover that liquid mixtures can be separated rapidly into their components based upon intermolecular forces. Each group of students is given a liquid sample that simulates one collected at an arson scene, and the group is required to determine the identity of the accelerant. Students also examine computer models to better visualize how molecular structure affects intermolecular forces: London forces, dipole-dipole interactions, and hydrogen bonding. The relative viscosities of organic liquids are also measured to relate physical properties to intermolecular forces.

  9. Characterization and modeling of major constituent equilibrium chemistry of a blended cement mortar

    Directory of Open Access Journals (Sweden)

    Meeussen J.C.L.

    2013-07-01

    Full Text Available Cementitious materials containing ground granulated iron blast furnace slag and coal combustion fly ash as admixtures are being used extensively for nuclear waste containment applications. Whereas the solid phases of ordinary Portland cement (OPC have been studied in great detail, the chemistry of cement, fly ash and slag blends has received relatively less study. Given that OPC is generally more reactive than slag and fly ash, the mineralogy of OPC provides a logical starting point for describing the major constituent chemistry of blended cement mortars. To this end, a blended cement mortar containing Portland cement, granulated blast furnace slag, fly ash and quartz sand was modeled using a set of solid phases known to form in hydrated OPC with the geochemical speciation solver LeachXS/ORCHESTRA. Comparison of modeling results to the experimentally determined pH-dependent batch leaching concentrations (USEPA Method 1313 indicates that major constituent concentrations are described reasonably well with the Portland cement mineral set; however, modeled and measured aluminum concentrations differ greatly. Scanning electron microscopic analysis of the mortar reveals the presence of Al-rich phyllosilicate minerals heretofore unreported in similar cementitious blends: kaolinite and potassic phyllosilicates similar in composition to illite and muscovite. Whereas the potassic phyllosilicates are present in the quartz sand aggregate, the formation of kaolinite appears to be authigenic. The inclusion of kaolinite in speciation modeling provides a substantially improved description of the release of Al and therefore, suggests that the behavior of phyllosilicate phases may be important for predicting long-term physico-chemical behavior of such systems.

  10. Uncertainties in modelling heterogeneous chemistry and Arctic ozone depletion in the winter 2009/2010

    Directory of Open Access Journals (Sweden)

    I. Wohltmann

    2013-04-01

    Full Text Available Stratospheric chemistry and denitrification are simulated for the Arctic winter 2009/2010 with the Lagrangian Chemistry and Transport Model ATLAS. A number of sensitivity runs is used to explore the impact of uncertainties in chlorine activation and denitrification on the model results. In particular, the efficiency of chlorine activation on different types of liquid aerosol versus activation on nitric acid trihydrate clouds is examined. Additionally, the impact of changes in reaction rate coefficients, in the particle number density of polar stratospheric clouds, in supersaturation, temperature or the extent of denitrification is investigated. Results are compared to satellite measurements of MLS and ACE-FTS and to in-situ measurements onboard the Geophysica aircraft during the RECONCILE measurement campaign. It is shown that even large changes in the underlying assumptions have only a small impact on the modelled ozone loss, even though they can cause considerable differences in chemical evolution of other species and in denitrification. Differences in column ozone between the sensitivity runs stay below 10% at the end of the winter. Chlorine activation on liquid aerosols alone is able to explain the observed magnitude and morphology of the mixing ratios of active chlorine, reservoir gases and ozone. This is even true for binary aerosols (no uptake of HNO3 from the gas-phase allowed in the model. Differences in chlorine activation between sensitivity runs are within 30%. Current estimates of nitric acid trihydrate (NAT number density and supersaturation imply that, at least for this winter, NAT clouds play a relatively small role compared to liquid clouds in chlorine activation. The change between different reaction rate coefficients for liquid or solid clouds has only a minor impact on ozone loss and chlorine activation in our sensitivity runs.

  11. Multidecadal Changes in the UTLS Ozone from the MERRA-2 Reanalysis and the GMI Chemistry Model

    Science.gov (United States)

    Wargan, Krzysztof; Orbe, Clara; Pawson, Steven; Ziemke, Jerald R.; Oman, Luke; Olsen, Mark; Coy, Lawrence; Knowland, Emma

    2018-01-01

    Long-term changes of ozone in the UTLS (Upper Troposphere / Lower Stratosphere) reflect the response to decreases in the stratospheric concentrations of ozone-depleting substances as well as changes in the stratospheric circulation induced by climate change. To date, studies of UTLS ozone changes and variability have relied mainly on satellite and in-situ observations as well as chemistry-climate model simulations. By comparison, the potential of reanalysis ozone data remains relatively untapped. This is despite evidence from recent studies, including detailed analyses conducted under SPARC (Scalable Processor Architecture) Reanalysis Intercomparison Project (S-RIP), that demonstrate that stratospheric ozone fields from modern atmospheric reanalyses exhibit good agreement with independent data while delineating issues related to inhomogeneities in the assimilated observations. In this presentation, we will explore the possibility of inferring long-term geographically and vertically resolved behavior of the lower stratospheric (LS) ozone from NASA's MERRA-2 (Modern-Era Retrospective Analysis for Research and Applications -2) reanalysis after accounting for the few known discontinuities and gaps in its assimilated input data. This work builds upon previous studies that have documented excellent agreement between MERRA-2 ozone and ozonesonde observations in the LS. Of particular importance is a relatively good vertical resolution of MERRA-2 allowing precise separation of tropospheric and stratospheric ozone contents. We also compare the MERRA-2 LS ozone results with the recently completed 37-year simulation produced using Goddard Earth Observing System in "replay"� mode coupled with the GMI (Global Modeling Initiative) chemistry mechanism. Replay mode dynamically constrains the model with the MERRA-2 reanalysis winds, temperature, and pressure. We will emphasize the areas of agreement of the reanalysis and replay and interpret differences between them in the context

  12. Modeling atmospheric mineral aerosol chemistry to predict heterogeneous photooxidation of SO2

    Science.gov (United States)

    Yu, Zechen; Jang, Myoseon; Park, Jiyeon

    2017-08-01

    The photocatalytic ability of airborne mineral dust particles is known to heterogeneously promote SO2 oxidation, but prediction of this phenomenon is not fully taken into account by current models. In this study, the Atmospheric Mineral Aerosol Reaction (AMAR) model was developed to capture the influence of air-suspended mineral dust particles on sulfate formation in various environments. In the model, SO2 oxidation proceeds in three phases including the gas phase, the inorganic-salted aqueous phase (non-dust phase), and the dust phase. Dust chemistry is described as the absorption-desorption kinetics of SO2 and NOx (partitioning between the gas phase and the multilayer coated dust). The reaction of absorbed SO2 on dust particles occurs via two major paths: autoxidation of SO2 in open air and photocatalytic mechanisms under UV light. The kinetic mechanism of autoxidation was first leveraged using controlled indoor chamber data in the presence of Arizona Test Dust (ATD) particles without UV light, and then extended to photochemistry. With UV light, SO2 photooxidation was promoted by surface oxidants (OH radicals) that are generated via the photocatalysis of semiconducting metal oxides (electron-hole theory) of ATD particles. This photocatalytic rate constant was derived from the integration of the combinational product of the dust absorbance spectrum and wave-dependent actinic flux for the full range of wavelengths of the light source. The predicted concentrations of sulfate and nitrate using the AMAR model agreed well with outdoor chamber data that were produced under natural sunlight. For seven consecutive hours of photooxidation of SO2 in an outdoor chamber, dust chemistry at the low NOx level was attributed to 55 % of total sulfate (56 ppb SO2, 290 µg m-3 ATD, and NOx less than 5 ppb). At high NOx ( > 50 ppb of NOx with low hydrocarbons), sulfate formation was also greatly promoted by dust chemistry, but it was suppressed by the competition between NO2 and SO2

  13. Modeling atmospheric mineral aerosol chemistry to predict heterogeneous photooxidation of SO2

    Directory of Open Access Journals (Sweden)

    Z. Yu

    2017-08-01

    Full Text Available The photocatalytic ability of airborne mineral dust particles is known to heterogeneously promote SO2 oxidation, but prediction of this phenomenon is not fully taken into account by current models. In this study, the Atmospheric Mineral Aerosol Reaction (AMAR model was developed to capture the influence of air-suspended mineral dust particles on sulfate formation in various environments. In the model, SO2 oxidation proceeds in three phases including the gas phase, the inorganic-salted aqueous phase (non-dust phase, and the dust phase. Dust chemistry is described as the absorption–desorption kinetics of SO2 and NOx (partitioning between the gas phase and the multilayer coated dust. The reaction of absorbed SO2 on dust particles occurs via two major paths: autoxidation of SO2 in open air and photocatalytic mechanisms under UV light. The kinetic mechanism of autoxidation was first leveraged using controlled indoor chamber data in the presence of Arizona Test Dust (ATD particles without UV light, and then extended to photochemistry. With UV light, SO2 photooxidation was promoted by surface oxidants (OH radicals that are generated via the photocatalysis of semiconducting metal oxides (electron–hole theory of ATD particles. This photocatalytic rate constant was derived from the integration of the combinational product of the dust absorbance spectrum and wave-dependent actinic flux for the full range of wavelengths of the light source. The predicted concentrations of sulfate and nitrate using the AMAR model agreed well with outdoor chamber data that were produced under natural sunlight. For seven consecutive hours of photooxidation of SO2 in an outdoor chamber, dust chemistry at the low NOx level was attributed to 55 % of total sulfate (56 ppb SO2, 290 µg m−3 ATD, and NOx less than 5 ppb. At high NOx ( >  50 ppb of NOx with low hydrocarbons, sulfate formation was also greatly promoted by dust chemistry, but it was suppressed by

  14. ICON-ART-ISO: Water isotopologues implemented in the chemistry- transport model ICON-ART

    Science.gov (United States)

    Eckstein, Johannes; Ruhnke, Roland; Reinert, Daniel; Pfahl, Stephan

    2017-04-01

    Stable isotopes of water can help to understand processes that have influenced the distribution of water in the atmosphere. Isotope enabled models, capable of simulating the distribution of HDO and H218O, can be a very useful tool for understanding these processes and the distribution of isotope ratios which are observed. We present ICON-ART-ISO, the implementation of water isotopes into the chemistry-transport model ICON-ART. The core of this global model is the ICOsahedral Non-hydrostatic (ICON) modelling framework (Zaengl et al, 2015 (Q. J. R. Meteorol. Soc.)), a joint development of the German Weather Service (DWD) and the Max Planck Institute for Meteorology. The model system ICON-ART (Aerosols and Reactive Trace gases, Rieger et al, 2015 (GMD)) is a two-way coupled extension to ICON, which allows to study the influence of aerosols, trace gases and their chemistry on the atmosphere. We set up ICON-ART-ISO within this framework, profitting from the model infrastructure. We follow the implementation of COSMOiso (Pfahl et al., 2012 (ACP)), the isotope-enabled version of the COSMO model, the predecessor of ICON. In order to include the isotopes in the model, the water cycle is doubled diagnostically for each isotope. By the choice of physical parameters, these modelled isotopes are set to HDO and H218O, but the simulation of a purely diagnostic H2O is also possible. Fractionation, i.e. the change of the isotope ratio changes during phase changes, is considered in evaporation, grid-scale precipitation and convection. For the source of evaporation, a constant isotope ratio is currently used. To consider grid scale precipitation, the processes in the two-moment microphysical scheme by Seifert and Beheng, 2005 (Meteorol. Atmos. Phys.) are diagnostically applied to the isotopes. For convection, the Tiedtke-Bechtold scheme (Bechtold et al., 2013 (JAS)) is used. We present the current status of the model system. All processes have been implemented and we show first

  15. Curriculum vitae of the LOTOS–EUROS (v2.0 chemistry transport model

    Directory of Open Access Journals (Sweden)

    A. M. M. Manders

    2017-11-01

    Full Text Available The development and application of chemistry transport models has a long tradition. Within the Netherlands the LOTOS–EUROS model has been developed by a consortium of institutes, after combining its independently developed predecessors in 2005. Recently, version 2.0 of the model was released as an open-source version. This paper presents the curriculum vitae of the model system, describing the model's history, model philosophy, basic features and a validation with EMEP stations for the new benchmark year 2012, and presents cases with the model's most recent and key developments. By setting the model developments in context and providing an outlook for directions for further development, the paper goes beyond the common model description.With an origin in ozone and sulfur modelling for the models LOTOS and EUROS, the application areas were gradually extended with persistent organic pollutants, reactive nitrogen, and primary and secondary particulate matter. After the combination of the models to LOTOS–EUROS in 2005, the model was further developed to include new source parametrizations (e.g. road resuspension, desert dust, wildfires, applied for operational smog forecasts in the Netherlands and Europe, and has been used for emission scenarios, source apportionment, and long-term hindcast and climate change scenarios. LOTOS–EUROS has been a front-runner in data assimilation of ground-based and satellite observations and has participated in many model intercomparison studies. The model is no longer confined to applications over Europe but is also applied to other regions of the world, e.g. China. The increasing interaction with emission experts has also contributed to the improvement of the model's performance. The philosophy for model development has always been to use knowledge that is state of the art and proven, to keep a good balance in the level of detail of process description and accuracy of input and output, and to keep a good record

  16. Green growth in fisheries

    DEFF Research Database (Denmark)

    Nielsen, Max; Ravensbeck, Lars; Nielsen, Rasmus

    2014-01-01

    harming the environment. Fishery is an environment-dependent sector and it has been argued that there is no potential for green growth in the sector owing to global overexploitation, leaving no scope for production growth. The purpose of this paper is to explain what green growth is and to develop...... a conceptual framework. Furthermore, the aim is to show that a large green growth potential actually exists in fisheries and to show how this potential can be achieved. The potential green growth appears as value-added instead of production growth. The potential can be achieved by reducing overcapacity......, investing in the rebuilding of fish stocks and a coordinated regulation of marine activities that interact with fisheries. Incentive-based regulation of fisheries that counterbalances services of the ecosystems is an important instrument to achieve green growth....

  17. Fishery Biology Database (AGDBS)

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — Basic biological data are the foundation on which all assessments of fisheries resources are built. These include parameters such as the size and age composition of...

  18. Marine meteorology and fisheries

    Digital Repository Service at National Institute of Oceanography (India)

    RameshBabu, V.

    Weather conditions over the sea affect the fisheries both directly and indirectly. Fishing activity gets hampered even at moderate sea state conditions, and under low winds, if the swell is predominant in the operational areas of the vessel...

  19. Morocco - Artisanal Fisheries

    Data.gov (United States)

    Millennium Challenge Corporation — The final performance evaluation roadmap for the Small-Scale Fisheries Project (PPA-MCC) is developed using a grid constructed around indicators relating to Project...

  20. Effects of water chemistry and fluid dynamics on wall thinning behavior. Part 1. Development of FAC model focused on water chemistry and composition of material

    International Nuclear Information System (INIS)

    Fujiwara, Kazutoshi; Domae, Masafumi; Ohta, Joji; Yoneda, Kimitoshi; Inada, Fumio

    2009-01-01

    Flow Accelerated Corrosion (FAC), which is one of the important subjects at fossil and nuclear power plans, is caused by the accelerated dissolution of protective oxide film due to the turbulent flow. The influence factors on FAC such as water chemistry, material, and fluid dynamics are closely related to the oxide property so that the risk of FAC can be reduced by the suitable control of water chemistry. There are some FAC models and evaluation codes of FAC rate. Some of them are used in wall thinning management of nuclear power plant in some country. Nevertheless, these FAC codes include many empirical parameters so that some uncertainty to evaluate the synergistic effectiveness of factors are the controversial point for the application of FAC code to wall thinning management in Japanese nuclear power plant. In this study, a FAC model that can evaluate the effect of temperature, NH3 concentration, chromium content, and dissolved oxygen concentration on FAC rate was developed by considering the diffusion of dissolved species. The critical dissolved oxygen concentration, which can inhibit FAC, was also calculated by this model. (author)

  1. Earth System Chemistry integrated Modelling (ESCiMo) with the Modular Earth Submodel System (MESSy) version 2.51

    NARCIS (Netherlands)

    Jockel, P.; Tost, H.; Pozzer, A.; Kunze, M.; Kirner, O.; Brenninkmeijer, C.A.M.; Brinkop, S.; Cai, D.S.; Dyroff, C.; Eckstein, J.; Frank, F.; Garny, H.; Gottschald, K.D.; Graf, P.; Grewe, V.; Kerkweg, A.; Kern, B.; Matthes, S; Mertens, M; Meul, S.; Neumaier, M.; Nützel, M; Oberländer-Hayn, S; Ruhnke, R.; Runde, T.; Sander, R.; Scharffe, D; Zahn, A.

    2016-01-01

    Three types of reference simulations, as recommended by the Chemistry–Climate Model Initiative (CCMI), have been performed with version 2.51 of the European Centre for Medium-Range Weather Forecasts – Hamburg (ECHAM)/Modular Earth Submodel System (MESSy) Atmospheric Chemistry (EMAC) model: hindcast

  2. A regression model using sediment chemistry for the evaluation of marine environmental impacts associated with salmon aquaculture cage wastes

    International Nuclear Information System (INIS)

    Chou, C.L.; Haya, K.; Paon, L.A.; Moffatt, J.D.

    2004-01-01

    This study was undertaken to develop an approach for modelling changes of sediment chemistry related to the accumulation of aquaculture waste. Metal composition of sediment Al, Cu, Fe, Li, Mn, and Zn; organic carbon and 2 =0.945 compared to R 2 =0.653 for the regression model using unadjusted EMP for assessing the environmental conditions

  3. Associating Animations with Concrete Models to Enhance Students' Comprehension of Different Visual Representations in Organic Chemistry

    Science.gov (United States)

    Al-Balushi, Sulaiman M.; Al-Hajri, Sheikha H.

    2014-01-01

    The purpose of the current study is to explore the impact of associating animations with concrete models on eleventh-grade students' comprehension of different visual representations in organic chemistry. The study used a post-test control group quasi-experimental design. The experimental group (N = 28) used concrete models, submicroscopic…

  4. Learning from Multiple Classifier Systems: Perspectives for Improving Decision Making of QSAR Models in Medicinal Chemistry.

    Science.gov (United States)

    Pham-The, Hai; Nam, Nguyen-Hai; Nga, Doan-Viet; Hai, Dang Thanh; Dieguez-Santana, Karel; Marrero-Poncee, Yovani; Castillo-Garit, Juan A; Casanola-Martin, Gerardo M; Le-Thi-Thu, Huong

    2018-02-09

    Quantitative Structure - Activity Relationship (QSAR) modeling has been widely used in medicinal chemistry and computational toxicology for many years. Today, as the amount of chemicals is increasing dramatically, QSAR methods have become pivotal for the purpose of handling the data, identifying a decision, and gathering useful information from data processing. The advances in this field have paved a way for numerous alternative approaches that require deep mathematics in order to enhance the learning capability of QSAR models. One of these directions is the use of Multiple Classifier Systems (MCSs) that potentially provide a means to exploit the advantages of manifold learning through decomposition frameworks, while improving generalization and predictive performance. In this paper, we presented MCS as a next generation of QSAR modeling techniques and discuss the chance to mining the vast number of models already published in the literature. We systematically revisited the theoretical frameworks of MCS as well as current advances in MCS application for QSAR practice. Furthermore, we illustrated our idea by describing ensemble approaches on modeling histone deacetylase (HDACs) inhibitors. We expect that our analysis would contribute to a better understanding about MCS application and its future perspectives for improving the decision making of QSAR models. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

  5. Contribution of water chemistry and fish condition to otolith chemistry: comparisons across salinity environments.

    Science.gov (United States)

    Izzo, C; Doubleday, Z A; Schultz, A G; Woodcock, S H; Gillanders, B M

    2015-06-01

    This study quantified the per cent contribution of water chemistry to otolith chemistry using enriched stable isotopes of strontium ((86) Sr) and barium ((137) Ba). Euryhaline barramundi Lates calcarifer, were reared in marine (salinity 40), estuarine (salinity 20) and freshwater (salinity 0) under different temperature treatments. To calculate the contribution of water to Sr and Ba in otoliths, enriched isotopes in the tank water and otoliths were quantified and fitted to isotope mixing models. Fulton's K and RNA:DNA were also measured to explore the influence of fish condition on sources of element uptake. Water was the predominant source of otolith Sr (between 65 and 99%) and Ba (between 64 and 89%) in all treatments, but contributions varied with temperature (for Ba), or interactively with temperature and salinity (for Sr). Fish condition indices were affected independently by the experimental rearing conditions, as RNA:DNA differed significantly among salinity treatments and Fulton's K was significantly different between temperature treatments. Regression analyses did not detect relations between fish condition and per cent contribution values. General linear models indicated that contributions from water chemistry to otolith chemistry were primarily influenced by temperature and secondly by fish condition, with a relatively minor influence of salinity. These results further the understanding of factors that affect otolith element uptake, highlighting the necessity to consider the influence of environment and fish condition when interpreting otolith element data to reconstruct the environmental histories of fish. © 2015 The Fisheries Society of the British Isles.

  6. Vanadium(V) complexes in enzyme systems: aqueous chemistry, inhibition and molecular modeling in inhibitor design.

    Science.gov (United States)

    Bhattacharyya, S; Tracey, A S

    2001-05-01

    Vanadate in aqueous solution is known to influence a number of enzyme-catalyzed reactions. Such effects are well known to carry over to living systems where numerous responses to the influence of vanadium have been well-documented; perhaps the most studied being the insulin-mimetic effect. Studies of the aqueous chemistry of vanadate provide an insight into the mechanisms by which vanadate affects enzyme systems and suggests methods for the elucidation of specific types of responses. Studies of the corresponding enzymes provide complementary information that suggests model vanadate systems be studied and provides clues as to functional groups that might be utilized in the development of selective enzyme inhibition. The insulin-mimetic effect is thought by many workers to originate in the effectiveness of vanadium as an inhibitor of protein tyrosine phosphatase (PTPase) activity. One, or more PTPases regulate the phosphotyrosine levels of the insulin receptor kinase domain. Appropriate ligands allow modification of the reactivity and function of vanadate. For instance, although the complex, ((CH(3))(2)NO)(2)V(O)OH, is not quite as good an inhibitor of PTPase activity as is vanadate, it is much more effective in cell cultures for increasing glucose transport and glycogen synthesis. Studies of the chemistry of this complex provide an explanation of the efficacy of this compound as a PTPase inhibitor that is supported by computer modeling studies. Computer calculations using X-ray data of known PTPases as a basis for homology modeling then suggests functionality that needs to be addressed in developing selective PTPase inhibitors.

  7. 75 FR 34092 - Atlantic Coastal Fisheries Cooperative Management Act Provisions; Weakfish Fishery

    Science.gov (United States)

    2010-06-16

    ... National Oceanic and Atmospheric Administration 50 CFR Part 697 RIN 0648-AY41 Atlantic Coastal Fisheries Cooperative Management Act Provisions; Weakfish Fishery AGENCY: National Marine Fisheries Service (NMFS... States Marine Fisheries Commission's (Commission) Interstate Fishery Management Plan (ISFMP) for weakfish...

  8. Towards the virtual artery: a multiscale model for vascular physiology at the physics-chemistry-biology interface.

    Science.gov (United States)

    Hoekstra, Alfons G; Alowayyed, Saad; Lorenz, Eric; Melnikova, Natalia; Mountrakis, Lampros; van Rooij, Britt; Svitenkov, Andrew; Závodszky, Gábor; Zun, Pavel

    2016-11-13

    This discussion paper introduces the concept of the Virtual Artery as a multiscale model for arterial physiology and pathologies at the physics-chemistry-biology (PCB) interface. The cellular level is identified as the mesoscopic level, and we argue that by coupling cell-based models with other relevant models on the macro- and microscale, a versatile model of arterial health and disease can be composed. We review the necessary ingredients, both models of arteries at many different scales, as well as generic methods to compose multiscale models. Next, we discuss how this can be combined into the virtual artery. Finally, we argue that the concept of models at the PCB interface could or perhaps should become a powerful paradigm, not only as in our case for studying physiology, but also for many other systems that have such PCB interfaces.This article is part of the themed issue 'Multiscale modelling at the physics-chemistry-biology interface'. © 2016 The Authors.

  9. Simulations of physics and chemistry of polar stratospheric clouds with a general circulation model

    Energy Technology Data Exchange (ETDEWEB)

    Buchholz, J.

    2005-04-20

    A polar stratospheric cloud submodel has been developed and incorporated in a general circulation model including atmospheric chemistry (ECHAM5/MESSy). The formation and sedimentation of polar stratospheric cloud (PSC) particles can thus be simulated as well as heterogeneous chemical reactions that take place on the PSC particles. For solid PSC particle sedimentation, the need for a tailor-made algorithm has been elucidated. A sedimentation scheme based on first order approximations of vertical mixing ratio profiles has been developed. It produces relatively little numerical diffusion and can deal well with divergent or convergent sedimentation velocity fields. For the determination of solid PSC particle sizes, an efficient algorithm has been adapted. It assumes a monodisperse radii distribution and thermodynamic equilibrium between the gas phase and the solid particle phase. This scheme, though relatively simple, is shown to produce particle number densities and radii within the observed range. The combined effects of the representations of sedimentation and solid PSC particles on vertical H{sub 2}O and HNO{sub 3} redistribution are investigated in a series of tests. The formation of solid PSC particles, especially of those consisting of nitric acid trihydrate, has been discussed extensively in recent years. Three particle formation schemes in accordance with the most widely used approaches have been identified and implemented. For the evaluation of PSC occurrence a new data set with unprecedented spatial and temporal coverage was available. A quantitative method for the comparison of simulation results and observations is developed and applied. It reveals that the relative PSC sighting frequency can be reproduced well with the PSC submodel whereas the detailed modelling of PSC events is beyond the scope of coarse global scale models. In addition to the development and evaluation of new PSC submodel components, parts of existing simulation programs have been

  10. Structure of turbulent non-premixed flames modeled with two-step chemistry

    Science.gov (United States)

    Chen, J. H.; Mahalingam, S.; Puri, I. K.; Vervisch, L.

    1992-01-01

    Direct numerical simulations of turbulent diffusion flames modeled with finite-rate, two-step chemistry, A + B yields I, A + I yields P, were carried out. A detailed analysis of the turbulent flame structure reveals the complex nature of the penetration of various reactive species across two reaction zones in mixture fraction space. Due to this two zone structure, these flames were found to be robust, resisting extinction over the parameter ranges investigated. As in single-step computations, mixture fraction dissipation rate and the mixture fraction were found to be statistically correlated. Simulations involving unequal molecular diffusivities suggest that the small scale mixing process and, hence, the turbulent flame structure is sensitive to the Schmidt number.

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

    Science.gov (United States)

    Nguyen, Howard; Willacy, Karen; Allen, Mark

    2012-01-01

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

  12. Simulation of polar stratospheric clouds in the chemistry-climate-model EMAC via the submodel PSC

    Directory of Open Access Journals (Sweden)

    O. Kirner

    2011-03-01

    Full Text Available The submodel PSC of the ECHAM5/MESSy Atmospheric Chemistry model (EMAC has been developed to simulate the main types of polar stratospheric clouds (PSC. The parameterisation of the supercooled ternary solutions (STS, type 1b PSC in the submodel is based on Carslaw et al. (1995b, the thermodynamic approach to simulate ice particles (type 2 PSC on Marti and Mauersberger (1993. For the formation of nitric acid trihydrate (NAT particles (type 1a PSC two different parameterisations exist. The first is based on an instantaneous thermodynamic approach from Hanson and Mauersberger (1988, the second is new implemented and considers the growth of the NAT particles with the aid of a surface growth factor based on Carslaw et al. (2002. It is possible to choose one of this NAT parameterisation in the submodel. This publication explains the background of the submodel PSC and the use of the submodel with the goal of simulating realistic PSC in EMAC.

  13. 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

  14. Improving Students' Understanding of Molecular Structure through Broad-Based Use of Computer Models in the Undergraduate Organic Chemistry Lecture

    Science.gov (United States)

    Springer, Michael T.

    2014-01-01

    Several articles suggest how to incorporate computer models into the organic chemistry laboratory, but relatively few papers discuss how to incorporate these models broadly into the organic chemistry lecture. Previous research has suggested that "manipulating" physical or computer models enhances student understanding; this study…

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

    Directory of Open Access Journals (Sweden)

    D. S. Stevenson

    2003-01-01

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

  16. CROATIAN FISHERIES IN 2006.

    Directory of Open Access Journals (Sweden)

    Irena Jahutka

    2007-10-01

    Full Text Available This work deals with all the relevant statistic data regarding fisheries of Republic of Croatia, including freshwater fisheries data (aquaculture of fish and other aquatic organisms, commercial and sports fisheries, marine fisheries data (mariculture, commercial fisheries, small–scale fisheries and processing of fish and other marine organisms, as well as data about import and export of fish and fish products and the data about financial subventions in fisheries. Regarding aquaculture (freshwater fish farming in 2005 there have been noticed production increase in coldwater fish species. The total freshwater fish production in 2006 was 6,328 tons (4,599 tons of warm–water species and 1,729 tons of cold–water species. Total areas and production areas were decreased comparing to 2005 in all categories of production areas. Total catch of freshwater fish in 2006 was 674 tons. The total marine fish species production in 2006 was 3,500 tons, production of tuna 6,700 tons, mussels 3,500 tons and oysters 1,000,000 pieces. The catch of marine fish was increased by 9.21% comparing to 2005 (increase was noticed for white and blue fish species. During 2006 there were no significant changes regarding the number of commercial fishermen comparing to the last two years, while the number of small–scale fishermen decreased 1% comparing to the last year. The total production of fish products in 2006 was 17,362 tons, which is 2.46% more comparing to 2005.

  17. Modeling Chemical Processes in Seawater Aquaria to Illustrate Concepts in Undergraduate Chemistry

    Science.gov (United States)

    Grguric, Gordan

    2000-04-01

    A recently introduced course at Richard Stockton College focuses on modeling chemical processes in seawater aquaria and illustrates to the students chemical principles such as mass and charge balance in solution, acid-base equilibria, and chemical kinetics. This paper describes three exercises from the course, which can be used in a variety of undergraduate chemistry curricula. They are (i) determining the salts and their amounts needed to prepare a given volume of artificial seawater, (ii) modeling aqueous carbonate equilibria, to calculate pH and alkalinity shifts through additions of chemicals, and (iii) modeling chemical kinetics involved in aqueous ozone-bromine reactions, to predict the type and extent of disinfection by-products. The approaches and items for discussion are described for each exercise. The exercises can be used independently of each other, as applications of chemical principles that are being discussed. Several practical examples using empirical data from large aquarium facilities are given to demonstrate how the models can be used.

  18. Solution chemistry of Mo(III) and Mo(IV): Thermodynamic foundation for modeling localized corrosion

    International Nuclear Information System (INIS)

    Wang Peiming; Wilson, Leslie L.; Wesolowski, David J.; Rosenqvist, Joergen; Anderko, Andrzej

    2010-01-01

    To investigate the behavior of molybdenum dissolution products in systems that approximate localized corrosion environments, solubility of Mo(III) in equilibrium with solid MoO 2 has been determined at 80 deg. C as a function of solution acidity, chloride concentration and partial pressure of hydrogen. The measurements indicate a strong increase in solubility with acidity and chloride concentration and a weak effect of hydrogen partial pressure. The obtained results have been combined with literature data for systems containing Mo(III), Mo(IV), and Mo(VI) in solutions to develop a comprehensive thermodynamic model of aqueous molybdenum chemistry. The model is based on a previously developed framework for simulating the properties of electrolyte systems ranging from infinite dilution to solid saturation or fused salt limit. To reproduce the measurements, the model assumes the presence of a chloride complex of Mo(III) (i.e., MoCl 2+ ) and hydrolyzed species (MoOH 2+ , Mo(OH) 2 + , and Mo(OH) 3 0 ) in addition to the Mo 3+ ion. The model generally reproduces the experimental data within experimental scattering and provides a tool for predicting the phase behavior and speciation in complex, concentrated aqueous solutions. Thus, it provides a foundation for simulating the behavior of molybdenum species in localized corrosion environments.

  19. Net Influence of an Internally Generated Guasi-biennial Oscillation on Modelled Stratospheric Climate and Chemistry

    Science.gov (United States)

    Hurwitz, Margaret M.; Oman, Luke David; Newman, Paul A.; Song, InSun

    2013-01-01

    A Goddard Earth Observing System Chemistry- Climate Model (GEOSCCM) simulation with strong tropical non-orographic gravity wave drag (GWD) is compared to an otherwise identical simulation with near-zero tropical non-orographic GWD. The GEOSCCM generates a quasibiennial oscillation (QBO) zonal wind signal in response to a tropical peak in GWD that resembles the zonal and climatological mean precipitation field. The modelled QBO has a frequency and amplitude that closely resembles observations. As expected, the modelled QBO improves the simulation of tropical zonal winds and enhances tropical and subtropical stratospheric variability. Also, inclusion of the QBO slows the meridional overturning circulation, resulting in a generally older stratospheric mean age of air. Slowing of the overturning circulation, changes in stratospheric temperature and enhanced subtropical mixing all affect the annual mean distributions of ozone, methane and nitrous oxide. Furthermore, the modelled QBO enhances polar stratospheric variability in winter. Because tropical zonal winds are easterly in the simulation without a QBO, there is a relative increase in tropical zonal winds in the simulation with a QBO. Extratropical differences between the simulations with and without a QBO thus reflect the westerly shift in tropical zonal winds: a relative strengthening of the polar stratospheric jet, polar stratospheric cooling and a weak reduction in Arctic lower stratospheric ozone.

  20. A modeling study of secondary organic aerosol formation from sesquiterpenes using the STOCHEM global chemistry and transport model

    Science.gov (United States)

    Khan, M. A. H.; Jenkin, M. E.; Foulds, A.; Derwent, R. G.; Percival, C. J.; Shallcross, D. E.

    2017-04-01

    Sesquiterpenes are one of the precursors of secondary organic aerosol (SOA) which can be an important global sources of organic aerosol (OA). Updating the chemistry scheme in the global chemistry transport model by incorporating an oxidation mechanism for β-caryophyllene (representing all sesquiterpenes), adding global sesquiterpene emissions of 29 Tg/yr, and revising global monoterpene emissions up to 162 Tg/yr [Guenther et al., 2012] led to an increase of SOA burden by 95% and SOA production rate by 106% relative to the base case described in Utembe et al. [2011]. Including the emissions of sesquiterpenes resulted in increase of SOA burden of 0.11 Tg and SOA production rate of 12.9 Tg/yr relative to the base case. The highest concentrations of sesquiterpene-derived SOA (by up to 1.2 μg/m3) were found over central Africa and South America, the regions having high levels of biogenic emissions with significant biomass burning. In the updated model simulation, the multigeneration oxidation products from sesquiterpenes and monoterpenes transported above the boundary layer and condensed to the aerosol phase at higher altitude led to an increase of OA by up to 30% over the tropics and northern midlatitude to higher altitude. The model evaluation showed an underestimation of model OA mostly for the campaigns dominated by regional anthropogenic pollution. The increase of SOA production from sesquiterpenes reduced the discrepancies between modeled and observed OA concentrations over the remote and rural areas. The increase of SOA concentrations by up to 200% from preindustrial to present scenarios was found over the tropical oceans.

  1. A mixed integer linear program for an integrated fishery | Hasan ...

    African Journals Online (AJOL)

    ... and labour allocation of quota based integrated fisheries. We demonstrate the workability of our model with a numerical example and sensitivity analysis based on data obtained from one of the major fisheries in New Zealand. Keywords: mixed integer linear program, fishing, trawler scheduling, processing, quotas ORiON: ...

  2. Bioeconomic analysis of Maryland's Chesapeake Bay oyster fishery ...

    African Journals Online (AJOL)

    The present paper deals with the surplus production models of Verhulst-Schaefer and Gompertz-Fox that are applied to the Maryland's Chesapeake Bay oyster fishery to investigate the sustainability properties of the stock and management of the fishery. The basic objective of this paper is to illustrate the way in which long ...

  3. Structure-based library design: molecular modelling merges with combinatorial chemistry.

    Science.gov (United States)

    Böhm, H J; Stahl, M

    2000-06-01

    Recent advances in both computational and experimental techniques now allow a very fruitful interplay of computational and combinatorial chemistry in the structure-based design of combinatorial libraries.

  4. Performance of Versions 1,2 and 3 of the Goddard Earth Observing System (GEOS) Chemistry-Climate Model (CCM)

    Science.gov (United States)

    Pawson, Steven; Stolarski, Richard S.; Nielsen, J. Eric; Duncan, Bryan N.

    2008-01-01

    Version 1 of the Goddard Earth Observing System Chemistry-Climate Model (GEOS CCM) was used in the first CCMVa1 model evaluation and forms the basis for several studies of links between ozone and the circulation. That version of the CCM was based on the GEOS-4 GCM. Versions 2 and 3 of the GEOS CCM are based on the GEOS-5 GCM, which retains the "Lin-Rood" dynamical core but has a totally different set of physical parameterizatiOns to GEOS-4. In Version 2 of the GEOS CCM the Goddard stratospheric chemistry module is retained. Difference between Versions 1 and 2 thus reflect the physics changes of the underlying GCMs. Several comparisons between these two models are made, several of which reveal improvements in Version 2 (including a more realistic representation of the interannual variability of the Antarctic vortex). In Version 3 of the GEOS CCM, the stratospheric chemistry mechanism is replaced by the "GMI COMBO" code that includes tropospheric chemistry and different computational approaches. An advantage of this model version. is the reduction of high ozone biases that prevail at low chlorine loadings in Versions 1 and 2. This poster will compare and contrast various aspects of the three model versions that are relevant for understanding interactions between ozone and climate.

  5. An Evaluation of Ozone Dry Deposition in Global Scale Chemistry Climate Models

    Science.gov (United States)

    Hardacre, C.; Wild, O.; Emberson, L.

    2014-12-01

    Dry deposition of atmospheric oxidants to the Earth's surface or vegetation is important as both a major removal pathway governing their atmospheric abundance and as a key input of oxidants and nutrients to sensitive vegetation surfaces. By linking the atmosphere and biosphere, dry deposition processes contribute to wider climate and Earth system feedbacks which need to be adequately quantified for a full understanding of Earth system responses. In addition, they have immediate policy-relevant implications for air quality, ecosystem health and crop productivity that need to be assessed on local, regional and global scales. In this study we use results from the recent Task Force on Hemispheric Transport of Air Pollution (HTAP) model intercomparison to explore how dry deposition of ozone varies across 15 current atmospheric chemistry and transport models. While most models take a similar, resistances-based approach to parameterising dry deposition, there are substantial differences across the models in the magnitude and variability of the annual and monthly ozone deposition fluxes which contribute to the differences in modelled surface ozone and in the global tropospheric ozone budget. We find that the range in global ozone deposition flux over the HTAP model ensemble spans about 30% with deposition to ocean, grass land and tropical forests being particularly variable. Further, we compare modelled dry deposition of ozone to measurements made at a variety of locations in Europe and North America, noting differences of up to a factor of two but no clear systematic bias over the sites examined. We extend this analysis by running sensitivity studies to determine the importance of key parameters in the ozone dry deposition process, including soil moisture and leaf area index. This study provides an important first step towards quantifying the uncertainty in ozone dry deposition and permitting a more thorough, observation-based evaluation of this important process.

  6. CHEMIFOGV - A Model to Simulate Radiation Fogs and their Interaction with Vegetation and Chemistry

    International Nuclear Information System (INIS)

    Winterrath, Tanja; Bott, Andreas

    2001-01-01

    Radiation fog is an important modifier of atmospheric compounds in the planetary boundary layer. In vegetated areas effects are especially pronounced due to the enlarged surface area. Besides affecting the lower boundary of atmospheric models fog acts as a multi-phase reaction chamber leading to acid deposition. Here we present the 1-dimensional radiation fog modelCHEMIFOG V to simulate regional radiation fog events. The key feature of the fog model is the detailed microphysics, where the aerosol/droplet spectrum is described with a joint 2-dimensional distribution, but also the dynamics, thermodynamics, and radiative transfer are calculated. To investigate the interaction between fog and the biosphere a multi-layer vegetation module, including a soil module as well as a dry deposition module were coupled. Vegetation influences the dynamics, thermodynamics, and the radiation field of the lowest atmospheric layers. With CHEMIFOG V , numerical case studies on dry and moist deposition processes on vegetation surfaces were performed. Hereby multi-phase chemistry and the processing of aerosols were considered. The results show that the chemical composition of the deposited fog droplets is mainly determined by the aerosol composition. Dry deposition fluxes are dependent on the incoming radiation and the leaves' surface conditions with respect to water coverage.Due to chemical aerosol processing and deposition, the aerosol spectrum is significantly modified in the planetary boundary layer

  7. Risks to coral reefs from ocean carbonate chemistry changes in recent earth system model projections

    International Nuclear Information System (INIS)

    Ricke, K L; Caldeira, K; Orr, J C; Schneider, K

    2013-01-01

    Coral reefs are among the most biodiverse ecosystems in the world. Today they are threatened by numerous stressors, including warming ocean waters and coastal pollution. Here we focus on the implications of ocean acidification for the open ocean chemistry surrounding coral reefs, as estimated from earth system models participating in the Coupled Model Intercomparison Project, Phase 5 (CMIP5). We project risks to reefs in the context of three potential aragonite saturation (Ωa) thresholds. We find that in preindustrial times, 99.9% of reefs adjacent to open ocean in the CMIP5 ensemble were located in regions with Ωa > 3.5. Under a business-as-usual scenario (RCP 8.5), every coral reef considered will be surrounded by water with Ωa 2 emissions abatement, the Ωa threshold for reefs is critical to projecting their fate. Our results indicate that to maintain a majority of reefs surrounded by waters with Ωa > 3.5 to the end of the century, very aggressive reductions in emissions are required. The spread of Ωa projections across models in the CMIP5 ensemble is narrow, justifying a high level of confidence in these results. (letter)

  8. Subalpine Pyrenees received higher nitrogen deposition than predicted by EMEP and CHIMERE chemistry-transport models

    Science.gov (United States)

    Boutin, Marion; Lamaze, Thierry; Couvidat, Florian; Pornon, André

    2015-08-01

    Deposition of reactive nitrogen (N) from the atmosphere is expected to be the third greatest driver of biodiversity loss by the year 2100. Chemistry-transport models are essential tools to estimate spatially explicit N deposition but the reliability of their predictions remained to be validated in mountains. We measured N deposition and air concentration over the subalpine Pyrenees. N deposition was found to range from 797 to 1,463 mg N m-2 year-1. These values were higher than expected from model predictions, especially for nitrate, which exceeded the estimations of EMEP by a factor of 2.6 and CHIMERE by 3.6. Our observations also displayed a reversed reduced-to-oxidized ratio in N deposition compared with model predictions. The results highlight that the subalpine Pyrenees are exposed to higher levels of N deposition than expected according to standard predictions and that these levels exceed currently recognized critical loads for most high-elevation habitats. Our study reveals a need to improve the evaluation of N deposition in mountains which are home to a substantial and original part of the world’s biodiversity.

  9. Observable signatures of wind--driven chemistry with a fully consistent three dimensional radiative hydrodynamics model of HD 209458b

    OpenAIRE

    Drummond, Benjamin; Mayne, N. J.; Manners, James; Carter, Aarynn L.; Boutle, Ian A.; Baraffe, Isabelle; Hebrard, Eric; Tremblin, Pascal; Sing, David K.; Amundsen, David S.; Acreman, Dave

    2018-01-01

    We present a study of the effect of wind-driven advection on the chemical composition of hot Jupiter atmospheres using a fully-consistent 3D hydrodynamics, chemistry and radiative transfer code, the Met Office Unified Model (UM). Chemical modelling of exoplanet atmospheres has primarily been restricted to 1D models that cannot account for 3D dynamical processes. In this work we couple a chemical relaxation scheme to the UM to account for the chemical interconversion of methane and carbon mono...

  10. Addressing the complexity of water chemistry in environmental fate modeling for engineered nanoparticles.

    Science.gov (United States)

    Sani-Kast, Nicole; Scheringer, Martin; Slomberg, Danielle; Labille, Jérôme; Praetorius, Antonia; Ollivier, Patrick; Hungerbühler, Konrad

    2015-12-01

    Engineered nanoparticle (ENP) fate models developed to date - aimed at predicting ENP concentration in the aqueous environment - have limited applicability because they employ constant environmental conditions along the modeled system or a highly specific environmental representation; both approaches do not show the effects of spatial and/or temporal variability. To address this conceptual gap, we developed a novel modeling strategy that: 1) incorporates spatial variability in environmental conditions in an existing ENP fate model; and 2) analyzes the effect of a wide range of randomly sampled environmental conditions (representing variations in water chemistry). This approach was employed to investigate the transport of nano-TiO2 in the Lower Rhône River (France) under numerous sets of environmental conditions. The predicted spatial concentration profiles of nano-TiO2 were then grouped according to their similarity by using cluster analysis. The analysis resulted in a small number of clusters representing groups of spatial concentration profiles. All clusters show nano-TiO2 accumulation in the sediment layer, supporting results from previous studies. Analysis of the characteristic features of each cluster demonstrated a strong association between the water conditions in regions close to the ENP emission source and the cluster membership of the corresponding spatial concentration profiles. In particular, water compositions favoring heteroaggregation between the ENPs and suspended particulate matter resulted in clusters of low variability. These conditions are, therefore, reliable predictors of the eventual fate of the modeled ENPs. The conclusions from this study are also valid for ENP fate in other large river systems. Our results, therefore, shift the focus of future modeling and experimental research of ENP environmental fate to the water characteristic in regions near the expected ENP emission sources. Under conditions favoring heteroaggregation in these

  11. USVI commercial fisheries cost data

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — To assist the Caribbean Fishery Management Council in managing marine living resources in the United States Virgin Islands, the Southeast Fisheries Science Center...

  12. The Chemistry CATT-BRAMS model (CCATT-BRAMS 4.5: a regional atmospheric model system for integrated air quality and weather forecasting and research

    Directory of Open Access Journals (Sweden)

    K. M. Longo

    2013-09-01

    Full Text Available Coupled Chemistry Aerosol-Tracer Transport model to the Brazilian developments on the Regional Atmospheric Modeling System (CCATT-BRAMS, version 4.5 is an on-line regional chemical transport model designed for local and regional studies of atmospheric chemistry from the surface to the lower stratosphere suitable both for operational and research purposes. It includes gaseous/aqueous chemistry, photochemistry, scavenging and dry deposition. The CCATT-BRAMS model takes advantage of BRAMS-specific development for the tropics/subtropics as well as the recent availability of preprocessing tools for chemical mechanisms and fast codes for photolysis rates. BRAMS includes state-of-the-art physical parameterizations and dynamic formulations to simulate atmospheric circulations down to the meter. This on-line coupling of meteorology and chemistry allows the system to be used for simultaneous weather and chemical composition forecasts as well as potential feedback between the two. The entire system is made of three preprocessing software tools for user-defined chemical mechanisms, aerosol and trace gas emissions fields and the interpolation of initial and boundary conditions for meteorology and chemistry. In this paper, the model description is provided along with the evaluations performed by using observational data obtained from ground-based stations, instruments aboard aircrafts and retrieval from space remote sensing. The evaluation accounts for model applications at different scales from megacities and the Amazon Basin up to the intercontinental region of the Southern Hemisphere.

  13. Robustness analysis of a green chemistry-based model for the classification of silver nanoparticles synthesis processes

    Science.gov (United States)

    This paper proposes a robustness analysis based on Multiple Criteria Decision Aiding (MCDA). The ensuing model was used to assess the implementation of green chemistry principles in the synthesis of silver nanoparticles. Its recommendations were also compared to an earlier develo...

  14. ConfChem Conference on Flipped Classroom: Improving Student Engagement in Organic Chemistry Using the Inverted Classroom Model

    Science.gov (United States)

    Rossi, Robert D.

    2015-01-01

    Improving student engagement in STEM (science, technology, engineering, and mathematics) courses generally, and organic chemistry specifically, has long been a goal for educators. Recently educators at all academic levels have been exploring the "inverted classroom" or "flipped classroom" pedagogical model for improving student…

  15. A framework for expanding aqueous chemistry in the Community Multiscale Air Quality (CMAQ) model version 5.1

    Science.gov (United States)

    This paper describes the development and implementation of an extendable aqueous-phase chemistry option (AQCHEM − KMT(I)) for the Community Multiscale Air Quality (CMAQ) modeling system, version 5.1. Here, the Kinetic PreProcessor (KPP), version 2.2.3, is used t...

  16. The Influence of Self-Efficacy and Motivational Factors on Academic Performance in General Chemistry Course: A Modeling Study

    Science.gov (United States)

    Alci, Bulent

    2015-01-01

    This study aims to determine the predictive and explanatory model in terms of university students' academic performance in "General Chemistry" course and their motivational features. The participants were 169 university students in the 1st grade at university. Of the participants, 132 were female and 37 were male students. Regarding…

  17. The Use of Molecular Modeling as "Pseudoexperimental" Data for Teaching VSEPR as a Hands-On General Chemistry Activity

    Science.gov (United States)

    Martin, Christopher B.; Vandehoef, Crissie; Cook, Allison

    2015-01-01

    A hands-on activity appropriate for first-semester general chemistry students is presented that combines traditional VSEPR methods of predicting molecular geometries with introductory use of molecular modeling. Students analyze a series of previously calculated output files consisting of several molecules each in various geometries. Each structure…

  18. Incorporating Modeling and Simulations in Undergraduate Biophysical Chemistry Course to Promote Understanding of Structure-Dynamics-Function Relationships in Proteins

    Science.gov (United States)

    Hati, Sanchita; Bhattacharyya, Sudeep

    2016-01-01

    A project-based biophysical chemistry laboratory course, which is offered to the biochemistry and molecular biology majors in their senior year, is described. In this course, the classroom study of the structure-function of biomolecules is integrated with the discovery-guided laboratory study of these molecules using computer modeling and…

  19. Use of a PhET Interactive Simulation in General Chemistry Laboratory: Models of the Hydrogen Atom

    Science.gov (United States)

    Clark, Ted M.; Chamberlain, Julia M.

    2014-01-01

    An activity supporting the PhET interactive simulation, Models of the Hydrogen Atom, has been designed and used in the laboratory portion of a general chemistry course. This article describes the framework used to successfully accomplish implementation on a large scale. The activity guides students through a comparison and analysis of the six…

  20. Students' Critical Thinking Skills in Chemistry Learning Using Local Culture-Based 7E Learning Cycle Model

    Science.gov (United States)

    Suardana, I. Nyoman; Redhana, I. Wayan; Sudiatmika, A. A. Istri Agung Rai; Selamat, I. Nyoman

    2018-01-01

    This research aimed at describing the effectiveness of the local culture-based 7E learning cycle model in improving students' critical thinking skills in chemistry learning. It was an experimental research with post-test only control group design. The population was the eleventh-grade students of senior high schools in Singaraja, Indonesia. The…

  1. Fisheries and climate

    DEFF Research Database (Denmark)

    Brander, Keith

    2009-01-01

    Fish stocks and the fisheries based on them have always experienced variability due to climate. Changes in temperature, salinity, winds, ocean currents, oxygen, and other factors affect their distribution, growth, survival, and recruitment. Examples of such effects are given for several regions...... of the oceans and the processes are described. Poleward distribution shifts have occurred since the 1960s and can be attributed to the effects of anthropogenic climate change with a high degree of confidence. In addition to climate effects, fisheries are subjected to other anthropogenic stresses, including high...... fishing mortality, loss of habitat, pollution, and introduction of alien species. These interact and may reduce the resilience of exploited stocks, although climate change may also increase productivity in some cases. Fisheries production depends on primary production, but to date we have low confidence...

  2. Controls of Ca/Mg/Fe activity ratios in pore water chemistry models of the Callovian-Oxfordian clay formation

    International Nuclear Information System (INIS)

    Lerouge, C.; Grangeon, S.; Wille, G.; Flehoc, C.; Gailhanou, H.; Gaucher, E.C.; Tournassat, C.; Vinsot, A.; Made, B.; Altmann, S.

    2013-01-01

    In the pore water chemistry model of the Callovian-Oxfordian clay formation, the divalent cations Ca, Mg, and Fe are controlled by equilibrium reactions with pure carbonates: calcite for Ca, dolomite for Mg, and siderite for Fe. Results of a petrological study and computing of the Ca/Mg and Ca/Fe activity ratios based on natural pore water chemistry provide evidence that equilibrium with pure calcite and pure dolomite is a reasonable assumption for undisturbed pore waters; on the other hand, siderite cannot be considered at equilibrium with pore waters at the formation scale. (authors)

  3. 77 FR 14351 - North Pacific Fishery Management Council; Public Meetings

    Science.gov (United States)

    2012-03-09

    ... (ROFR) Workgroup; Tanner crab model review (SSC only); Review GOA pollock Exempted Fishery Permit (EFP.... Groundfish Programmatic SEIS (public workshop and SSC evaluation) 7. Tanner crab model review 8. Review GOA...

  4. SITE-94. Modelling of near-field chemistry for SITE-94

    International Nuclear Information System (INIS)

    Arthur, R.; Apted, M.

    1996-12-01

    This report evaluates methods for the incorporation of site data into models simulating the long-term chemical evolution of the near field. The models are based on limiting conditions at equilibrium, or steady state, in three closed systems representing fully saturated bentonite, Fe o corrosion products of the canister and spent fuel. A l kg reference mass of site groundwater is assumed to equilibrate first with bentonite and then with the canister's corrosion products. A third closed system representing spent fuel is modeled in terms of spent-fuel dissolution in 1 kg of water evolved from the canister, coupled with steady-state constraints on the rate of oxidant production by α radiolysis of H 2 O(l). Precipitation of secondary minerals controlling the solubilities of radioelements dissolved from spent fuel is also simulated in this model. Version 7.2 of the EQ3/6 geochemical software package and its supporting composite thermodynamic database, dataO.com.R22, are used to carry out these calculations. It is concluded that chemical models of near-field evolution combined with thermodynamic models of radionuclide speciation-solubility behavior can assist efforts to assimilate site characterization data into the performance assessment process, and to deal with uncertainties that are inherent in both site properties and in concepts of near field chemistry. It is essential, however, that expert judgement and prudence should be exercised such that model results are conservative with respect to acknowledged and documented uncertainties. Most importantly, it must be recognized that it is probably not possible to model with a high-level of accuracy the complex chemical environments and long timescales involved in disposal technologies for nuclear wastes. For performance assessment, however, only bounding values are needed, and modeling approaches such as described in this report are useful for this purpose. Technical peer review and cross-comparisons of near-field modeling

  5. Fostering green chemistry through a collaborative business model: A chemical leasing case study from Serbia

    NARCIS (Netherlands)

    Lozano, R.; Carpenter, A.; Satric, V.

    2013-01-01

    Green and sustainable chemistry have been developed to help reduce the production and use of harmful chemicals. The two main approaches that have been used in fostering green and sustainable chemistry have been through policy initiatives and science/technology. This paper focuses on a complementary

  6. Introducing a Culture of Modeling to Enhance Conceptual Understanding in High School Chemistry Courses

    Science.gov (United States)

    Edwards, Amanda D.; Head, Michelle

    2016-01-01

    Both the Next Generation Science Standards (NGSS) and the new AP Chemistry curriculum focus on a deeper understanding of content, as well as application of concepts within science classes. A well accepted research-based method for improving student understanding and the ability to apply many of the abstract concepts presented in chemistry is…

  7. Error apportionment for atmospheric chemistry-transport models – a new approach to model evaluation

    Directory of Open Access Journals (Sweden)

    E. Solazzo

    2016-05-01

    Full Text Available In this study, methods are proposed to diagnose the causes of errors in air quality (AQ modelling systems. We investigate the deviation between modelled and observed time series of surface ozone through a revised formulation for breaking down the mean square error (MSE into bias, variance and the minimum achievable MSE (mMSE. The bias measures the accuracy and implies the existence of systematic errors and poor representation of data complexity, the variance measures the precision and provides an estimate of the variability of the modelling results in relation to the observed data, and the mMSE reflects unsystematic errors and provides a measure of the associativity between the modelled and the observed fields through the correlation coefficient. Each of the error components is analysed independently and apportioned to resolved processes based on the corresponding timescale (long scale, synoptic, diurnal, and intra-day and as a function of model complexity.The apportionment of the error is applied to the AQMEII (Air Quality Model Evaluation International Initiative group of models, which embrace the majority of regional AQ modelling systems currently used in Europe and North America.The proposed technique has proven to be a compact estimator of the operational metrics commonly used for model evaluation (bias, variance, and correlation coefficient, and has the further benefit of apportioning the error to the originating timescale, thus allowing for a clearer diagnosis of the processes that caused the error.

  8. A pebbles accretion model with chemistry and implications for the Solar system

    Science.gov (United States)

    Ali-Dib, Mohamad

    2017-02-01

    We investigate the chemical composition of the Solar system's giant planets atmospheres using a physical formation model with chemistry. The model incorporate disc evolution, pebbles and gas accretion, type I and II migration, simplified disc photoevaporation and Solar system chemical measurements. We track the chemical compositions of the formed giant planets and compare them to the observed values. Two categories of models are studied: with and without disc chemical enrichment via photoevaporation (PE). Predictions for the oxygen and nitrogen abundances, core masses and total amount of heavy elements for the planets are made for each case. We find that in the case without disc PE, both Jupiter and Saturn will have a small residual core and comparable total amounts of heavy elements in the envelopes. We predict oxygen abundances enrichments in the same order as carbon, phosphorus and sulfur for both planets. Cometary nitrogen abundances does not allow us to easily reproduce Jupiter's nitrogen observations. In the case with disc PE, less core erosion is needed to reproduce the chemical composition of the atmospheres, so both planets will end up with possibly more massive residual cores and higher total mass of heavy elements. It is also significantly easier to reproduce Jupiter's nitrogen abundance. No single disc was found to form both Jupiter and Saturn with all their constraints in the case without photoevaporation. No model was able to fit the constraints on Uranus and Neptune, hinting towards a more complicated formation mechanism for these planets. The predictions of these models should be compared to the upcoming Juno measurements to better understand the origins of the Solar system giant planets.

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

    International Nuclear Information System (INIS)

    Atkinson, A.; Ewart, F.T.; Pugh, S.Y.R.; Rees, J.H.; Sharland, S.M.; Tasker, P.W.; Wilkins, J.D.

    1988-02-01

    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)

  11. 75 FR 1023 - International Fisheries Regulations; Fisheries in the Western Pacific; Pelagic Fisheries; Hawaii...

    Science.gov (United States)

    2010-01-08

    ... the interaction limits. Because of the error, paragraph (b)(2), relating to the process for closing... process is preserved for closing the Hawaii-based shallow-set longline fishery as a result of the fishery...

  12. A linear CO chemistry parameterization in a chemistry-transport model: evaluation and application to data assimilation

    Directory of Open Access Journals (Sweden)

    M. Claeyman

    2010-07-01

    Full Text Available This paper presents an evaluation of a new linear parameterization valid for the troposphere and the stratosphere, based on a first order approximation of the carbon monoxide (CO continuity equation. This linear scheme (hereinafter noted LINCO has been implemented in the 3-D Chemical Transport Model (CTM MOCAGE (MOdèle de Chimie Atmospherique Grande Echelle. First, a one and a half years of LINCO simulation has been compared to output obtained from a detailed chemical scheme output. The mean differences between both schemes are about ±25 ppbv (part per billion by volume or 15% in the troposphere and ±10 ppbv or 100% in the stratosphere. Second, LINCO has been compared to diverse observations from satellite instruments covering the troposphere (Measurements Of Pollution In The Troposphere: MOPITT and the stratosphere (Microwave Limb Sounder: MLS and also from aircraft (Measurements of ozone and water vapour by Airbus in-service aircraft: MOZAIC programme mostly flying in the upper troposphere and lower stratosphere (UTLS. In the troposphere, the LINCO seasonal variations as well as the vertical and horizontal distributions are quite close to MOPITT CO observations. However, a bias of ~−40 ppbv is observed at 700 Pa between LINCO and MOPITT. In the stratosphere, MLS and LINCO present similar large-scale patterns, except over the poles where the CO concentration is underestimated by the model. In the UTLS, LINCO presents small biases less than 2% compared to independent MOZAIC profiles. Third, we assimilated MOPITT CO using a variational 3D-FGAT (First Guess at Appropriate Time method in conjunction with MOCAGE for a long run of one and a half years. The data assimilation greatly improves the vertical CO distribution in the troposphere from 700 to 350 hPa compared to independent MOZAIC profiles. At 146 hPa, the assimilated CO distribution is also improved compared to MLS observations by reducing the bias up to a factor of 2 in the tropics

  13. Trace gas and aerosol interactions in the fully coupled model of aerosol-chemistry-climate ECHAM5-HAMMOZ: 2. Impact of heterogeneous chemistry on the global aerosol distributions

    Science.gov (United States)

    Pozzoli, L.; Bey, I.; Rast, S.; Schultz, M. G.; Stier, P.; Feichter, J.

    2008-04-01

    We use the ECHAM5-HAMMOZ aerosol-chemistry-climate model to quantify the influence of trace gas-aerosol interactions on the regional and global distributions and optical properties of aerosols for present-day conditions. The model includes fully interactive simulations of gas phase and aerosol chemistry including a comprehensive set of heterogeneous reactions. We find that as a whole, the heterogeneous reactions have only a small effect on the SO2 and sulfate burden because of competing effects. The uptake of SO2 on dust and sea salt decreases the SO2 concentrations while the decrease in OH (that results from the uptake of HO2, N2O5, and O3) tends to increase SO2 (because of reduced oxidation). The sulfate formed in sea salt aerosols from SO2 uptake accounts for 3.7 Tg(S) a-1 (5%) of the total sulfate production. Uptake and subsequent reaction of SO2 on mineral dust contributes to a small formation of sulfate (0.55 Tg(S) a-1, coating of mineral dust particles, resulting in an extra 300 Tg a-1 of dust being transferred from the insoluble to the soluble mixed modes. The burden of dust in the insoluble modes is reduced by 44%, while the total burden is reduced by 5% as a result of enhanced wet deposition efficiency. Changes in the sulfur cycle affect the H2SO4 concentrations and the condensation of H2SO4 on black carbon. Accounting for heterogeneous reactions enhances the global mean burden of hydrophobic black carbon particles by 4%. The changes in aerosol mixing state result only in a small change in the global and annual aerosol optical depth (AOD) and absorption optical depth (ABS), but have significant implications on regional and seasonal scale. For example, in the main polluted regions of the Northern Hemisphere, AOD and ABS increase by 10-30% and up to 15%, respectively, in winter.

  14. Regional scale effects of the aerosol cloud interaction simulated with an online coupled comprehensive chemistry model

    Directory of Open Access Journals (Sweden)

    M. Bangert

    2011-05-01

    Full Text Available We have extended the coupled mesoscale atmosphere and chemistry model COSMO-ART to account for the transformation of aerosol particles into cloud condensation nuclei and to quantify their interaction with warm cloud microphysics on the regional scale. The new model system aims to fill the gap between cloud resolving models and global scale models. It represents the very complex microscale aerosol and cloud physics as detailed as possible, whereas the continental domain size and efficient codes will allow for both studying weather and regional climate. The model system is applied in a first extended case study for Europe for a cloudy five day period in August 2005.

    The model results show that the mean cloud droplet number concentration of clouds is correlated with the structure of the terrain, and we present a terrain slope parameter TS to classify this dependency. We propose to use this relationship to parameterize the probability density function, PDF, of subgrid-scale cloud updraft velocity in the activation parameterizations of climate models.

    The simulations show that the presence of cloud condensation nuclei (CCN and clouds are closely related spatially. We find high aerosol and CCN number concentrations in the vicinity of clouds at high altitudes. The nucleation of secondary particles is enhanced above the clouds. This is caused by an efficient formation of gaseous aerosol precursors above the cloud due to more available radiation, transport of gases in clean air above the cloud, and humid conditions. Therefore the treatment of complex photochemistry is crucial in atmospheric models to simulate the distribution of CCN.

    The mean cloud droplet number concentration and droplet diameter showed a close link to the change in the aerosol. To quantify the net impact of an aerosol change on the precipitation we calculated the precipitation susceptibility β for the whole model domain over a period of two days with

  15. Bad chemistry

    OpenAIRE

    Petsko, Gregory A

    2004-01-01

    General chemistry courses haven't changed significantly in forty years. Because most basic chemistry students are premedical students, medical schools have enormous influence and could help us start all over again to create undergraduate chemistry education that works.

  16. Aerosols, Chemistry, and Radiative Forcing: A 3-D Model Analysis of Satellite and ACE-Asia data (ACMAP)

    Science.gov (United States)

    Chin, Mian; Ginoux, Paul; Torres, Omar; Zhao, Xue-Peng

    2005-01-01

    We propose a research project to incorporate a global 3-D model and satellite data into the multi-national Aerosol Characterization Experiment-Asia (ACE-Asia) mission. Our objectives are (1) to understand the physical, chemical, and optical properties of aerosols and the processes that control those properties over the Asian-Pacific region, (2) to investigate the interaction between aerosols and tropospheric chemistry, and (3) to determine the aerosol radiative forcing over the Asia-Pacific region. We will use the Georgia TecWGoddard Global Ozone Chemistry Aerosol Radiation and Transport (GOCART) model to link satellite observations and the ACE-Asia measurements. First, we will use the GOCART model to simulate aerosols and related species, and evaluate the model with satellite and in-situ observations. Second, the model generated aerosol vertical profiles and compositions will be used to validate the satellite products; and the satellite data will be used for during- and post- mission analysis. Third, we will use the model to analyze and interpret both satellite and ACE- Asia field campaign data and investigate the aerosol-chemistry interactions. Finally, we will calculate aerosol radiative forcing over the Asian-Pacific region, and assess the influence of Asian pollution in the global atmosphere. We propose a research project to incorporate a global 3-D model and satellite data into

  17. Modeling of gas-phase chemistry in the chemical vapor deposition of polysilicon in a cold wall system

    Energy Technology Data Exchange (ETDEWEB)

    Toprac, A.J.; Edgar, T.F.; Trachtenberg, I. (Univ. of Texas, Austin, TX (United States). Dept. of Chemical Engineering)

    1993-06-01

    The relative contribution of gas-phase chemistry to deposition processes is an important issue both from the standpoint of operation and modeling of these processes. In polysilicon deposition from thermally activated silane in a cold wall rapid thermal chemical vapor deposition (RTCVD) system, the relative contribution of gas-phase chemistry to the overall deposition rate was examined by a mass-balance model. Evaluating the process at conditions examined experimentally, the model indicated that gas-phase reactions may be neglected to good accuracy in predicting polysilicon deposition rate. The model also provided estimates of the level of gas-phase generated SiH[sub 2] associated with deposition on the cold-process chamber walls.

  18. A framework for expanding aqueous chemistry in the Community Multiscale Air Quality (CMAQ) model version 5.1

    Science.gov (United States)

    Fahey, Kathleen M.; Carlton, Annmarie G.; Pye, Havala O. T.; Baek, Jaemeen; Hutzell, William T.; Stanier, Charles O.; Baker, Kirk R.; Wyat Appel, K.; Jaoui, Mohammed; Offenberg, John H.

    2017-04-01

    This paper describes the development and implementation of an extendable aqueous-phase chemistry option (AQCHEM - KMT(I)) for the Community Multiscale Air Quality (CMAQ) modeling system, version 5.1. Here, the Kinetic PreProcessor (KPP), version 2.2.3, is used to generate a Rosenbrock solver (Rodas3) to integrate the stiff system of ordinary differential equations (ODEs) that describe the mass transfer, chemical kinetics, and scavenging processes of CMAQ clouds. CMAQ's standard cloud chemistry module (AQCHEM) is structurally limited to the treatment of a simple chemical mechanism. This work advances our ability to test and implement more sophisticated aqueous chemical mechanisms in CMAQ and further investigate the impacts of microphysical parameters on cloud chemistry. Box model cloud chemistry simulations were performed to choose efficient solver and tolerance settings, evaluate the implementation of the KPP solver, and assess the direct impacts of alternative solver and kinetic mass transfer on predicted concentrations for a range of scenarios. Month-long CMAQ simulations for winter and summer periods over the US reveal the changes in model predictions due to these cloud module updates within the full chemical transport model. While monthly average CMAQ predictions are not drastically altered between AQCHEM and AQCHEM - KMT, hourly concentration differences can be significant. With added in-cloud secondary organic aerosol (SOA) formation from biogenic epoxides (AQCHEM - KMTI), normalized mean error and bias statistics are slightly improved for 2-methyltetrols and 2-methylglyceric acid at the Research Triangle Park measurement site in North Carolina during the Southern Oxidant and Aerosol Study (SOAS) period. The added in-cloud chemistry leads to a monthly average increase of 11-18 % in cloud SOA at the surface in the eastern United States for June 2013.

  19. Modeling the gas-phase chemistry of the transitional disk around HD 141569A

    OpenAIRE

    Jonkheid, B.; Kamp, I.; Augereau, J. -C.; van Dishoeck, E. F.

    2006-01-01

    Aims: The chemistry, distribution and mass of the gas in the transitional disk around the 5 Myr old B9.5 V star HD 141569A are constrained. Methods: A quasi 2-dimensional (2D) chemistry code for photon dominated regions (PDR) is used to calculate the chemistry and gas temperatures in the disk. The calculations are performed for several gas distributions, PAH abundances and values of the total gas mass. The resulting CO J=2-1 and J=3-2 emission lines are computed with a 2D radiative transfer c...

  20. Reinventing fisheries management

    National Research Council Canada - National Science Library

    Pitcher, T. J; Hart, Paul J. B; Pauly, D

    1998-01-01

    ..., management and conservation of fish and fisheries. Each volume will cover a wide but unified field with themes in both pure and applied fish biology. Although volumes will outline and put in perspective current research frontiers, the intention is to provide a synthesis accessible and useful to both experts and non-specialists alike. ...

  1. Implementation and evaluation of online gas-phase chemistry within a regional climate model (RegCM-CHEM4)

    Energy Technology Data Exchange (ETDEWEB)

    Shalaby, A. K.; Zakey, A. S.; Tawfik, A. B.; Solmon, F.; Giorgi, Filippo; Stordal, F.; Sillman, S.; Zaveri, Rahul A.; Steiner, A. L.

    2012-05-22

    The RegCM-CHEM4 is a new online climate-chemistry model based on the International Centre for Theoretical Physics (ICTP) regional climate model (RegCM4). Tropospheric gas-phase chemistry is integrated into the climate model using the condensed version of the Carbon Bond Mechanism (CBM-Z; Zaveri and Peters, 1999) with a fast solver based on radical balances. We evaluate the model over Continental Europe for two different time scales: (1) an event-based analysis of the ozone episode associated with the heat wave of August 2003 and (2) a climatological analysis of a sixyear simulation (2000-2005). For the episode analysis, model simulations show good agreement with European Monitoring and Evaluation Program (EMEP) observations of hourly ozone over different regions in Europe and capture ozone concentrations during and after the August 2003 heat wave event. For long-term climate simulations, the model captures the seasonal cycle of ozone concentrations with some over prediction of ozone concentrations in non-heat wave summers. Overall, the ozone and ozone precursor evaluation shows the feasibility of using RegCM-CHEM4 for decadal-length simulations of chemistry-climate interactions.

  2. Implementation and evaluation of online gas-phase chemistry within a regional climate model (RegCM-CHEM4

    Directory of Open Access Journals (Sweden)

    A. Shalaby

    2012-05-01

    Full Text Available The RegCM-CHEM4 is a new online climate-chemistry model based on the International Centre for Theoretical Physics (ICTP regional climate model (RegCM4. Tropospheric gas-phase chemistry is integrated into the climate model using the condensed version of the Carbon Bond Mechanism (CBM-Z; Zaveri and Peters, 1999 with a fast solver based on radical balances. We evaluate the model over continental Europe for two different time scales: (1 an event-based analysis of the ozone episode associated with the heat wave of August 2003 and (2 a climatological analysis of a six-year simulation (2000–2005. For the episode analysis, model simulations show good agreement with European Monitoring and Evaluation Programme (EMEP observations of hourly ozone over different regions in Europe and capture ozone concentrations during and after the summer 2003 heat wave event. For long-term climate simulations, the model captures the seasonal cycle of ozone concentrations with some over prediction of ozone concentrations in non-heat wave summers. Overall, the ozone and ozone precursor evaluation shows the feasibility of using RegCM-CHEM4 for decadal-length simulations of chemistry-climate interactions.

  3. CROATIAN FISHERIES IN 2004

    Directory of Open Access Journals (Sweden)

    Irena Jahutka

    2005-10-01

    Full Text Available This work deals with all the relevant statistic data regarding fisheries of Republic of Croatia, including freshwater fisheries data (aquaculture of fish and other aquatic organisms, commercial and sports fisheries, marine fisheries data (mariculture, commercial fisheries, small–scale fisheries and processing of fish and other marine organisms, as well as data about import and export of fish and fish products and the data about financial subventions in fisheries. Regarding aquaculture (freshwater fish farming in 2004 there have been noticed slight changes comparing to 2003. The total freshwater fish production in 2004 was 5,618 tons (4,259 tons of warm–water species and 1,359 tons of cold–water species. Total areas and production areas were increased comparing to 2003 (total areas 1.94% and production areas 5.42%. Total catch of freshwater fish in 2004 was 567 tons. The total marine fish species production was increased cca. 20% comparing to 2003. Mussels farming, which is slightly increasing since 1999, during 2004 was decreased, while oysters farming were stagnating. The catch of marine fish was increased by 9.74% comparing to 2003. The biggest increase is noticed regarding catch of demersal and other fish species. As well as the increase of the total catch, the number of commercial fishermen and fishing vessels was also increased in 2003. The number of fishermen who fish for their own consumption (without the right to sell fish–small scale fishermen in 2004 was 13,700. The total production of fish products in 2004 was 14,270 tons, which is 24.89% less comparing to 2003. Along this decrease, there has been also noticed an increasing trend of the production assortments, specially salted anchovy. The value of import in 2004 was higher than the value of export, although the export/import balance was higher in amount on the import side. Financial subventions payments in 2004 were 67.21% higher comparing to the first year of payments (1997

  4. AN ECOSYSTEM FRAMEWORK FOR FISHERIES MANAGEMENT ...

    African Journals Online (AJOL)

    A “four-step framework” for applying ecosystem approaches to fisheries management in the southern Benguela is proposed. First, static ecosystem models can be used to highlight important interactions by assessing the net trophic impacts of each species on all the others. Second, using a dynamic simulation approach, ...

  5. ECOSYSTEM APPROACH TO FISHERIES MANAGEMENT IN THE ...

    African Journals Online (AJOL)

    A workshop was held in Cape Town in December 2002 to introduce the concept of an ecosystem approach to fisheries (EAF) management in the southern Benguela, and to examine the options for implementing an EAF in. South Africa. The workshop considered alternative modelling approaches that may have potential for ...

  6. Regime Shifts and Resilience in Fisheries Management

    NARCIS (Netherlands)

    Li, Chuan Zhong; Villasante, Sebastian; Zhu, Xueqin

    2016-01-01

    We investigate the role of potential regime shifts in Argentinean hake fishery and the inter-linkage between ecological and economic resilience. We develop a theoretical model incorporated with the hazard function for resource management under alternative conditions, and derive the corrective

  7. Modeling lightning-NOx chemistry on a sub-grid scale in a global chemical transport model

    Directory of Open Access Journals (Sweden)

    A. Gressent

    2016-05-01

    Full Text Available For the first time, a plume-in-grid approach is implemented in a chemical transport model (CTM to parameterize the effects of the nonlinear reactions occurring within high concentrated NOx plumes from lightning NOx emissions (LNOx in the upper troposphere. It is characterized by a set of parameters including the plume lifetime, the effective reaction rate constant related to NOx–O3 chemical interactions, and the fractions of NOx conversion into HNO3 within the plume. Parameter estimates were made using the Dynamical Simple Model of Atmospheric Chemical Complexity (DSMACC box model, simple plume dispersion simulations, and the 3-D Meso-NH (non-hydrostatic mesoscale atmospheric model. In order to assess the impact of the LNOx plume approach on the NOx and O3 distributions on a large scale, simulations for the year 2006 were performed using the GEOS-Chem global model with a horizontal resolution of 2° × 2.5°. The implementation of the LNOx parameterization implies an NOx and O3 decrease on a large scale over the region characterized by a strong lightning activity (up to 25 and 8 %, respectively, over central Africa in July and a relative increase downwind of LNOx emissions (up to 18 and 2 % for NOx and O3, respectively, in July. The calculated variability in NOx and O3 mixing ratios around the mean value according to the known uncertainties in the parameter estimates is at a maximum over continental tropical regions with ΔNOx [−33.1, +29.7] ppt and ΔO3 [−1.56, +2.16] ppb, in January, and ΔNOx [−14.3, +21] ppt and ΔO3 [−1.18, +1.93] ppb, in July, mainly depending on the determination of the diffusion properties of the atmosphere and the initial NO mixing ratio injected by lightning. This approach allows us (i to reproduce a more realistic lightning NOx chemistry leading to better NOx and O3 distributions on the large scale and (ii to focus on other improvements to reduce remaining uncertainties from processes

  8. 3-D evaluation of tropospheric ozone simulations by an ensemble of regional Chemistry Transport Model

    Directory of Open Access Journals (Sweden)

    D. Zyryanov

    2012-04-01

    Full Text Available A detailed 3-D evaluation of an ensemble of five regional Chemistry Transport Models (RCTM and one global CTM with focus on free tropospheric ozone over Europe is presented. It is performed over a summer period (June to August 2008 in the context of the GEMS-RAQ project. A data set of about 400 vertical ozone profiles from balloon soundings and commercial aircraft at 11 different locations is used for model evaluation, in addition to satellite measurements with the infrared nadir sounder (IASI showing largest sensitivity to free tropospheric ozone. In the middle troposphere, the four regional models using the same top and boundary conditions from IFS-MOZART exhibit a systematic negative bias with respect to observed profiles of about −20%. Root Mean Square Error (RMSE values are constantly growing with altitude, from 22% to 32% to 53%, respectively for 0–2 km, 2–8 km and 8–10 km height ranges. Lowest correlation is found in the middle troposphere, with minimum coefficients (R between 0.2 to 0.45 near 8 km, as compared to 0.7 near the surface and similar values around 10 km. A sensitivity test made with the CHIMERE mode also shows that using hourly instead of monthly chemical boundary conditions generally improves the model skill (i.e. improve RMSE and correlation. Lower tropospheric 0–6 km partial ozone columns derived from IASI show a clear North-South gradient over Europe, which is qualitatively reproduced by the models. Also the temporal variability showing decreasing ozone concentrations in the lower troposphere (0–6 km columns during summer is well reproduced by models even if systematic bias remains (the value of the bias being also controlled by the type of used boundary conditions. A multi-day case study of a trough with low tropopause was conducted and showed that both IASI and models were able to resolve strong horizontal gradients of middle and upper tropospheric ozone occurring in the vicinity of an upper

  9. Exploring the effect of the spatial scale of fishery management.

    Science.gov (United States)

    Takashina, Nao; Baskett, Marissa L

    2016-02-07

    For any spatially explicit management, determining the appropriate spatial scale of management decisions is critical to success at achieving a given management goal. Specifically, managers must decide how much to subdivide a given managed region: from implementing a uniform approach across the region to considering a unique approach in each of one hundred patches and everything in between. Spatially explicit approaches, such as the implementation of marine spatial planning and marine reserves, are increasingly used in fishery management. Using a spatially explicit bioeconomic model, we quantify how the management scale affects optimal fishery profit, biomass, fishery effort, and the fraction of habitat in marine reserves. We find that, if habitats are randomly distributed, the fishery profit increases almost linearly with the number of segments. However, if habitats are positively autocorrelated, then the fishery profit increases with diminishing returns. Therefore, the true optimum in management scale given cost to subdivision depends on the habitat distribution pattern. Copyright © 2015 Elsevier Ltd. All rights reserved.

  10. Seasonal variations of stratospheric age spectra in the Goddard Earth Observing System Chemistry Climate Model (GEOSCCM)

    Science.gov (United States)

    Li, Feng; Waugh, Darryn W.; Douglass, Anne R.; Newman, Paul A.; Pawson, Steven; Stolarski, Richard S.; Strahan, Susan E.; Nielsen, J. Eric

    2012-03-01

    The stratospheric age spectrum is the probability distribution function of the transit times since a stratospheric air parcel had last contact with a tropospheric boundary region. Previous age spectrum studies have focused on its annual mean properties. Knowledge of the age spectrum's seasonal variability is very limited. In this study, we investigate the seasonal variations of the stratospheric age spectra using the pulse tracer method in the Goddard Earth Observing System Chemistry Climate Model (GEOSCCM). The relationships between the age spectrum and the boundary impulse response (BIR) are reviewed, and a simplified method to reconstruct seasonally varying age spectra is introduced. The age spectra in GEOSCCM have strong seasonal cycles, especially in the lowermost and lower stratosphere and in the subtropical overworld. These changes reflect the seasonal evolution of the Brewer-Dobson circulation, isentropic mixing, and transport barriers. We also investigate the seasonal and interannual variations of the BIRs. Our results clearly show that computing an ensemble of seasonally dependent BIRs is necessary in order to capture the seasonal and annual mean properties of the stratospheric age spectrum.

  11. One-dimensional numerical modeling of Blue Jet and its impact on stratospheric chemistry

    Science.gov (United States)

    Duruisseau, F.; Thiéblemont, R.; Huret, N.

    2011-12-01

    In the stratosphere the ozone layer is very sensitive to the NOx abundance. The ionisation of N2 and O2 molecules by TLE's (Transient Luminous Events) is a source of NOx which is currently not well quantified and could act as a loss of ozone. In this study a one dimensional explicit parameterization of a Blue-Jet propagation based on that proposed by Raizer et al. (2006 and 2007) has been developed. This parameterization considers Blue-Jet as a streamer initiated by a bidirectional leader discharge, emerging from the anvil and sustained by moderate cloud charge. The streamer growth varies with the electrical field induced by initial cloud charge and the initial altitude. This electrical parameterization and the chemical mechanisms associated with the discharge have been implemented into a detailed chemical model of stratospheric ozone including evolution of nitrogen, chlorine and bromine species. We will present several tests performed to validate the electrical code and evaluate the propagation velocity and the maximum altitude attains by the blue jet as a function of electrical parameters. The results obtained giving the spatiotemporal evolution of the electron density are then used to initiate the specific chemistry associated with the Blue Jet. Preliminary results on the impact of such discharge on the ozone content and the whole stratospheric system will be presented.

  12. Carbon dioxide, climate and the deep ocean circulation: Carbon chemistry model

    International Nuclear Information System (INIS)

    Menawat, A.S.

    1992-01-01

    The objective of this study was to investigate the role of oceanic carbon chemistry in modulating the atmospheric levels of CO 2 . It is well known that the oceans are the primary sink of the excess carbon pumped into the atmosphere since the beginning of the industrial period. The suspended particulate and the dissolved organic matters in the deep ocean play important roles as carriers of carbon and other elements critical to the fate of CO 2 . In addition, the suspended particulate matter provides sites for oxidation-reduction reactions and microbial activities. The problem is of an intricate system with complex chemical, physical and biological processes. This report describes a methodology to describe the interconversions of different forms of the organic and inorganic nutrients, that may be incorporated in the ocean circulation models. Our approach includes the driving force behind the transfers in addition to balancing the elements. Such thermodynamic considerations of describing the imbalance in the chemical potentials is a new and unique feature of our approach

  13. Development of an aerosol-chemistry transport model coupled to non-hydrostatic icosahedral atmospheric model (NICAM) through applying a stretched grid system to regional simulations around Japan

    Science.gov (United States)

    Goto, D.; Nakajima, T.; Masaki, S.

    2014-12-01

    Air pollution has a great impact on both climate change and human health. One effective way to tackle with these issues is a use of atmospheric aerosol-chemistry models with high-resolution in a global scale. For this purpose, we have developed an aerosol-chemistry model based on a global cloud-resolving model (GCRM), Nonhydrostatic Icosahedral Atmospheric Model (NICAM; Tomita and Satoh, Fluid. Dyn. Res. 2004; Satoh et al., J. Comput. Phys. 2008, PEPS, 2014) under MEXT/RECCA/SALSA project. In the present study, we have simulated aerosols and tropospheric ozone over Japan by our aerosol-chemistry model "NICAM-Chem" with a stretched-grid system of approximately 10 km resolution, for saving the computer resources. The aerosol and chemistry modules are based on Spectral Radiation-Transport Model for Aerosol Species (SPRINTARS; Takemura et al., J. Geophys. Res., 2005) and Chemical AGCM for Study of Atmospheric Environment and Radiative Forcing (CHASER; Sudo et al., J. Geophys. Res., 2002). We found that our model can generally reproduce both aerosols and ozone, in terms of temporal variations (daily variations of aerosols and diurnal variations of ozone). Under MEXT/RECCA/SALSA project, we also have used these results obtained by NICAM-Chem for the assessment of their impact on human health.

  14. A green chemistry-based classification model for the synthesis of silver nanoparticles

    Science.gov (United States)

    The assessment of implementation of green chemistry principles in the synthesis of nanomaterials is a complex decision-making problem that necessitates integration of several evaluation criteria. Multiple Criteria Decision Aiding (MCDA) provides support for such a challenge. One ...

  15. An Adaptive Chemistry Approach to Modeling Emissions Performance of Gas Turbine Combustors, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — In this proposed SBIR project, we seek to implement the Adaptive Chemistry methodology in existing CFD codes used to investigate the emissions performance of gas...

  16. A biodynamic model predicting waterborne lead bioaccumulation in Gammarus pulex: Influence of water chemistry and in situ validation.

    Science.gov (United States)

    Urien, N; Uher, E; Billoir, E; Geffard, O; Fechner, L C; Lebrun, J D

    2015-08-01

    Metals bioaccumulated in aquatic organisms are considered to be a good indicator of bioavailable metal contamination levels in freshwaters. However, bioaccumulation depends on the metal, the species, and the water chemistry that influences metal bioavailability. In the laboratory, a kinetic model was used to describe waterborne Pb bioaccumulated in Gammarus pulex. Uptake and elimination rate constants were successfully determined and the effect of Ca(2+) on Pb uptake was integrated into the model. Thereafter, accumulated Pb concentrations in organisms were predicted with the model and compared with those measured in native populations from the Seine watershed (France). The predictions had a good agreement with the bioaccumulation levels observed in native gammarids and particularly when the effect of calcium was considered. To conclude, kinetic parameters experimentally derived for Pb in G. pulex are applicable in environmental conditions. Moreover, the consideration of the water's chemistry is crucial for a reliable interpretation of bioaccumulation. Copyright © 2015 Elsevier Ltd. All rights reserved.

  17. OCEANFILMS-2: Representing coadsorption of saccharides in marine films and potential impacts on modeled marine aerosol chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Burrows, Susannah M. [Atmospheric Science and Global Change Division, Pacific Northwest National Laboratory, Richland Washington USA; Gobrogge, Eric [Department of Chemistry and Biochemistry, Montana State University, Bozeman Montana USA; Fu, Li [Environmental and Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland Washington USA; Link, Katie [Department of Chemistry and Biochemistry, Montana State University, Bozeman Montana USA; Elliott, Scott M. [Climate, Ocean, and Sea Ice Modelling Group, Los Alamos National Laboratory, Los Alamos New Mexico USA; Wang, Hongfei [Environmental and Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland Washington USA; Walker, Rob [Department of Chemistry and Biochemistry, Montana State University, Bozeman Montana USA

    2016-08-10

    Here we show that the addition of chemical interactions of soluble polysaccharides with a surfactant monolayer improves agreement of modeled sea spray chemistry with observed marine aerosol chemistry. In particular, the fraction of hydroxyl functional groups in modeled sea spray organic matter is increased, improving agreement with FTIR observations of marine aerosol composition. The overall organic fraction of submicron sea spray also increases, allowing organic mass fractions in the range 0.5 – 0.7 for submicron sea spray particles over highly active phytoplankton blooms. We show results from Sum Frequency Generation (SFG) experiments that support the modeling approach, by demonstrating that soluble polysaccharides can strongly adsorb to a lipid monolayer via columbic interactions under appropriate conditions.

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

    Directory of Open Access Journals (Sweden)

    T. A. M. Pugh

    2010-01-01

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

  19. Predicting tropospheric ozone and hydroxyl radical in a global, three-dimensional, chemistry, transport, and deposition model

    Energy Technology Data Exchange (ETDEWEB)

    Atherton, C.S.

    1995-01-05

    Two of the most important chemically reactive tropospheric gases are ozone (O{sub 3}) and the hydroxyl radical (OH). Although ozone in the stratosphere is a necessary protector against the sun`s radiation, tropospheric ozone is actually a pollutant which damages materials and vegetation, acts as a respiratory irritant, and is a greenhouse gas. One of the two main sources of ozone in the troposphere is photochemical production. The photochemistry is initiated when hydrocarbons and carbon monoxide (CO) react with nitrogen oxides (NO{sub x} = NO + NO{sub 2}) in the presence of sunlight. Reaction with the hydroxyl radical, OH, is the main sink for many tropospheric gases. The hydroxyl radical is highly reactive and has a lifetime on the order of seconds. Its formation is initiated by the photolysis of tropospheric ozone. Tropospheric chemistry involves a complex, non-linear set of chemical reactions between atmospheric species that vary substantially in time and space. To model these and other species on a global scale requires the use of a global, three-dimensional chemistry, transport, and deposition (CTD) model. In this work, I developed two such three dimensional CTD models. The first model incorporated the chemistry necessary to model tropospheric ozone production from the reactions of nitrogen oxides with carbon monoxide (CO) and methane (CH{sub 4}). The second also included longer-lived alkane species and the biogenic hydrocarbon isoprene, which is emitted by growing plants and trees. The models` ability to predict a number of key variables (including the concentration of O{sub 3}, OH, and other species) were evaluated. Then, several scenarios were simulated to understand the change in the chemistry of the troposphere since preindustrial times and the role of anthropogenic NO{sub x} on present day conditions.

  20. Impacts of bromine and iodine chemistry on tropospheric OH and HO2: comparing observations with box and global model perspectives

    Science.gov (United States)

    Stone, Daniel; Sherwen, Tomás; Evans, Mathew J.; Vaughan, Stewart; Ingham, Trevor; Whalley, Lisa K.; Edwards, Peter M.; Read, Katie A.; Lee, James D.; Moller, Sarah J.; Carpenter, Lucy J.; Lewis, Alastair C.; Heard, Dwayne E.

    2018-03-01

    The chemistry of the halogen species bromine and iodine has a range of impacts on tropospheric composition, and can affect oxidising capacity in a number of ways. However, recent studies disagree on the overall sign of the impacts of halogens on the oxidising capacity of the troposphere. We present simulations of OH and HO2 radicals for comparison with observations made in the remote tropical ocean boundary layer during the Seasonal Oxidant Study at the Cape Verde Atmospheric Observatory in 2009. We use both a constrained box model, using detailed chemistry derived from the Master Chemical Mechanism (v3.2), and the three-dimensional global chemistry transport model GEOS-Chem. Both model approaches reproduce the diurnal trends in OH and HO2. Absolute observed concentrations are well reproduced by the box model but are overpredicted by the global model, potentially owing to incomplete consideration of oceanic sourced radical sinks. The two models, however, differ in the impacts of halogen chemistry. In the box model, halogen chemistry acts to increase OH concentrations (by 9.8 % at midday at the Cape Verde Atmospheric Observatory), while the global model exhibits a small increase in OH at the Cape Verde Atmospheric Observatory (by 0.6 % at midday) but overall shows a decrease in the global annual mass-weighted mean OH of 4.5 %. These differences reflect the variety of timescales through which the halogens impact the chemical system. On short timescales, photolysis of HOBr and HOI, produced by reactions of HO2 with BrO and IO, respectively, increases the OH concentration. On longer timescales, halogen-catalysed ozone destruction cycles lead to lower primary production of OH radicals through ozone photolysis, and thus to lower OH concentrations. The global model includes more of the longer timescale responses than the constrained box model, and overall the global impact of the longer timescale response (reduced primary production due to lower O3 concentrations

  1. Comparing in Cylinder Pressure Modelling of a DI Diesel Engine Fuelled on Alternative Fuel Using Two Tabulated Chemistry Approaches.

    Science.gov (United States)

    Ngayihi Abbe, Claude Valery; Nzengwa, Robert; Danwe, Raidandi

    2014-01-01

    The present work presents the comparative simulation of a diesel engine fuelled on diesel fuel and biodiesel fuel. Two models, based on tabulated chemistry, were implemented for the simulation purpose and results were compared with experimental data obtained from a single cylinder diesel engine. The first model is a single zone model based on the Krieger and Bormann combustion model while the second model is a two-zone model based on Olikara and Bormann combustion model. It was shown that both models can predict well the engine's in-cylinder pressure as well as its overall performances. The second model showed a better accuracy than the first, while the first model was easier to implement and faster to compute. It was found that the first method was better suited for real time engine control and monitoring while the second one was better suited for engine design and emission prediction.

  2. Complex chemistry

    International Nuclear Information System (INIS)

    Kim, Bong Gon; Kim, Jae Sang; Kim, Jin Eun; Lee, Boo Yeon

    2006-06-01

    This book introduces complex chemistry with ten chapters, which include development of complex chemistry on history coordination theory and Warner's coordination theory and new development of complex chemistry, nomenclature on complex with conception and define, chemical formula on coordination compound, symbol of stereochemistry, stereo structure and isomerism, electron structure and bond theory on complex, structure of complex like NMR and XAFS, balance and reaction on solution, an organo-metallic chemistry, biology inorganic chemistry, material chemistry of complex, design of complex and calculation chemistry.

  3. The Effect of Laboratory Training Model of Teaching and Traditional Method on Knowledge, Comprehension, Application, Skills-Components of Achievement, Total Achievement and Retention Level in Chemistry

    Science.gov (United States)

    Badeleh, Alireza

    2011-01-01

    The present study aimed at finding the effectiveness of the Laboratory Training Model of Teaching (LTM) and comparing it with the traditional methods of teaching chemistry to seventh standard students. It strived to determine whether the (LTM) method in chemistry would be significantly more effective than the Traditional method in respect to the…

  4. Critical Loads of Acid Deposition for Wilderness Lakes in the Sierra Nevada (California) Estimated by the Steady-State Water Chemistry Model

    Science.gov (United States)

    Glenn D. Shaw; Ricardo Cisneros; Donald Schweizer; James O. Sickman; Mark E. Fenn

    2014-01-01

    Major ion chemistry (2000-2009) from 208 lakes (342 sample dates and 600 samples) in class I and II wilderness areas of the Sierra Nevada was used in the Steady-State Water Chemistry (SSWC) model to estimate critical loads for acid deposition and investigate the current vulnerability of high elevation lakes to acid deposition. The majority of the lakes were dilute (...

  5. Application of the conditional source-term estimation model for turbulence-chemistry interactions in a premixed flame

    Science.gov (United States)

    Salehi, M. M.; Bushe, W. K.; Daun, K. J.

    2012-04-01

    Conditional Source-term Estimation (CSE) is a closure model for turbulence-chemistry interactions. This model uses the first-order CMC hypothesis to close the chemical reaction source terms. The conditional scalar field is estimated by solving an integral equation using inverse methods. It was originally developed and has been used extensively in non-premixed combustion. This work is the first application of this combustion model for a premixed flame. CSE is coupled with a Trajectory Generated Low-Dimensional Manifold (TGLDM) model for chemistry. The CSE-TGLDM combustion model is used in a RANS code to simulate a turbulent premixed Bunsen burner. Along with this combustion model, a similar model which relies on the flamelet assumption is also used for comparison. The results of these two approaches in the prediction of the velocity field, temperature and species mass fractions are compared together. Although the flamelet model is less computationally expensive, the CSE combustion model is more general and does not have the limiting assumption underlying the flamelet model.

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

    International Nuclear Information System (INIS)

    Tournassat, Christophe; Gaucher, Eric C.; Leupin, Olivier X.; Wersin, Paul

    2010-01-01

    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/pCO 2 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/pCO 2 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

  7. Mathematical Chemistry

    OpenAIRE

    Trinajstić, Nenad; Gutman, Ivan

    2002-01-01

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

  8. 76 FR 4870 - New England Fishery Management Council; Public Meeting

    Science.gov (United States)

    2011-01-27

    ... Council fishery management plans. The model is a geo-referenced analytical tool that is intended to... address the emergency. Special Accommodations This meeting is physically accessible to people with...

  9. 50 CFR 259.32 - Conditional fisheries.

    Science.gov (United States)

    2010-10-01

    ... acquisition and/or reconstruction of a used vessel for operation in an adopted conditional fishery shall not... 50 Wildlife and Fisheries 7 2010-10-01 2010-10-01 false Conditional fisheries. 259.32 Section 259.32 Wildlife and Fisheries NATIONAL MARINE FISHERIES SERVICE, NATIONAL OCEANIC AND ATMOSPHERIC...

  10. Numerical simulation for regional ozone concentrations: A case study by weather research and forecasting/chemistry (WRF/Chem) model

    OpenAIRE

    Khandakar Md Habib Al Razi, Moritomi Hiroshi

    2013-01-01

    The objective of this research is to better understand and predict the atmospheric concentration distribution of ozone and its precursor (in particular, within the Planetary Boundary Layer (Within 110 km to 12 km) over Kasaki City and the Greater Tokyo Area using fully coupled online WRF/Chem (Weather Research and Forecasting/Chemistry) model. In this research, a serious and continuous high ozone episode in the Greater Tokyo Area (GTA) during the summer of 14–18 August 2010 was investigated u...

  11. Use of chemistry software to teach and assess model-based reaction and equation knowledge

    Directory of Open Access Journals (Sweden)

    Kevin Pyatt

    2014-12-01

    Full Text Available This study investigated the challenges students face when learning chemical reactions in a first-year chemistry course and the effectiveness of a curriculum and software implementation that was used to teach and assess student understanding of chemical reactions and equations. This study took place over a two year period in a public suburban high-school, in southwestern USA. Two advanced placement (AP chemistry classes participated, referred to here as study group A (year 1, N = 14; and study group B (year 2, N = 21. The curriculum for a first-year chemistry course (group A was revised to include instruction on reaction-types. The second year of the study involved the creation and implementation of a software solution which promoted mastery learning of reaction-types. Students in both groups benefited from the reaction-type curriculum and achieved proficiency in chemical reactions and equations.  The findings suggest there was an added learning benefit to using the reaction-type software solution. This study also found that reaction knowledge was a moderate to strong predictor of chemistry achievement. Based on regression analysis, reaction knowledge significantly predicted chemistry achievement for both groups.

  12. Challenges in integrating shrot-term behaviour in a mixed-fishery Management Strategies Evaluation frame: a case study of the North Sea flatfish fishery

    NARCIS (Netherlands)

    Andersen, B.S.; Vermard, Y.; Ulrich, C.; Hutton, T.; Poos, J.J.

    2010-01-01

    This study presents a fleet-based bioeconomic simulation model to the international mixed flatfish fishery in the North Sea. The model uses a Management Strategies Evaluation framework including a discrete choice model accounting for short-term temporal changes in effort allocation across fisheries.

  13. Micro-level explanations for emergent patterns of self-governance arrangements in small-scale fisheries-A modeling approach.

    Directory of Open Access Journals (Sweden)

    Emilie Lindkvist

    Full Text Available Small-scale fisheries (SSFs in developing countries are expected to play a significant role in poverty alleviation and enhancing food security in the decades to come. To realize this expectation, a better understanding of their informal self-governance arrangements is critical for developing policies that can improve fishers' livelihoods and lead to sustainable ecosystem stewardship. The goal of this paper is to develop a more nuanced understanding of micro-level factors-such as fishers' characteristics and behavior-to explain observed differences in self-governance arrangements in Northwest Mexico. We focus on two ubiquitous forms of self-governance: hierarchical non-cooperative arrangements between fishers and fishbuyers, such as patron-client relationships (PCs, versus more cooperative arrangements amongst fishers, such as fishing cooperatives (co-ops. We developed an agent-based model of an archetypical SSF that captures key hypotheses from in-depth fieldwork in Northwest Mexico of fishers' day-to-day fishing and trading. Results from our model indicate that high diversity in fishers' reliability, and low initial trust between co-op members, makes co-ops' establishment difficult. PCs cope better with this kind of diversity because, in contrast to co-ops, they have more flexibility in choosing whom to work with. However, once co-ops establish, they cope better with seasonal variability in fish abundance and provide long-term security for the fishers. We argue that existing levels of trust and diversity among fishers matter for different self-governance arrangements to establish and persist, and should therefore be taken into account when developing better, targeted policies for improved SSFs governance.

  14. Satellite Observations and Chemistry Climate Models - A Meandering Path Towards Better Predictions

    Science.gov (United States)

    Douglass, Anne R.

    2011-01-01

    Knowledge of the chemical and dynamical processes that control the stratospheric ozone layer has grown rapidly since the 1970s, when ideas that depletion of the ozone layer due to human activity were put forth. The concept of ozone depletion due to anthropogenic chlorine increase is simple; quantification of the effect is much more difficult. The future of stratospheric ozone is complicated because ozone is expected to increase for two reasons: the slow decrease in anthropogenic chlorine due to the Montreal Protocol and its amendments and stratospheric cooling caused by increases in carbon dioxide and other greenhouse gases. Prediction of future ozone levels requires three-dimensional models that represent physical, photochemical and radiative processes, i.e., chemistry climate models (CCMs). While laboratory kinetic and photochemical data are necessary inputs for a CCM, atmospheric measurements are needed both to reveal physical and chemical processes and for comparison with simulations to test the conceptual model that CCMs represent. Global measurements are available from various satellites including but not limited to the LIMS and TOMS instruments on Nimbus 7 (1979 - 1993), and various instruments on the Upper Atmosphere Research Satellite (1991 - 2005), Envisat (2002 - ongoing), Sci-Sat (2003 - ongoing) and Aura (2004 - ongoing). Every successful satellite instrument requires a physical concept for the measurement, knowledge of physical chemical properties of the molecules to be measured, and stellar engineering to design an instrument that will survive launch and operate for years with no opportunity for repair but providing enough information that trend information can be separated from any instrument change. The on-going challenge is to use observations to decrease uncertainty in prediction. This talk will focus on two applications. The first considers transport diagnostics and implications for prediction of the eventual demise of the Antarctic ozone hole

  15. A bio-economic analysis of a shell fishery: The effects of recruitment and habitat in a meta population model

    NARCIS (Netherlands)

    Imeson, R.J.; van den Bergh, J.C.J.M.

    2004-01-01

    This paper presents a bioeconomic model where fishing effort exerted has multiple impacts on the recruitment process of a sedentary shellfish population. Recognizing that sedentary populations generally possess metapopulation characteristics at the recruitment stage, we show that fishing effort

  16. 76 FR 10524 - Hawaii Bottomfish and Seamount Groundfish Fisheries; Fishery Closure

    Science.gov (United States)

    2011-02-25

    ... Seamount Groundfish Fisheries; Fishery Closure AGENCY: National Marine Fisheries Service (NMFS), National... closing the commercial and non-commercial fisheries in the main Hawaiian Islands ] fishery for seven... INFORMATION CONTACT: Jarad Makaiau, Sustainable Fisheries Division, NMFS Pacific Islands Region, 808-944-2108...

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2013-05-20

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

  18. Collaboration of chemistry instructional games and group investigation (Gi) model to improve learning outcome in high school students

    Science.gov (United States)

    Puspita, Ita; Sugiyarto, Kristian H.; Ikhsan, Jaslin

    2017-05-01

    The aims of this research are to: (1) develop chemistry instructional games on reaction rate matter; and (2) reveal the collaboration of chemistry instructional games and group investigation model to improvement learning outcome in high school student. This study is research and development (R&D). The procedure of developing product was adapted from Borg & Gall that modified into three principal steps: product planning, product developing, and product evaluating. The product planning step consist of field study, literature study, and manufacturing product. Product developing was developed product using Adobe Flash Professional CS 6 program. The last, product evaluating was performed by year XI of high school students, uses experimental methods nonequivalent control-group design by control class and experiment class. The results of this research show that: (1) a software of chemistry instructional games successfully developed using Adobe Flash Professional CS 6 and can be run on Android device; and (2) the test results of students showed that the collaboration of instructional games and group investigation model able to improvement learning outcome of hight school student.

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

    Science.gov (United States)

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

    2017-12-01

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

  20. Inland dissolved salt chemistry: statistical evaluation of bivariate and ternary diagram models for surface and subsurface waters

    Directory of Open Access Journals (Sweden)

    Stephen T. THRELKELD

    2000-08-01

    Full Text Available 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 even if large water bodies were evaluated separate from small water bodies. Atmospheric precipitation effects were identified using ternary diagrams in water with total dissolved salts (TDS 1000 mg l-1. A principal components analysis showed that the variability in the relative proportions of the major ions was related to atmospheric precipitation, weathering, and evaporation. About half of the variation in the distribution of inorganic ions was related to rock weathering. By considering most of the important inorganic ions, ternary diagrams are able to distinguish the contributions of atmospheric precipitation, rock weathering, and evaporation to inland water chemistry.

  1. 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.

  2. 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…

  3. Exploring the Gas Chemistry of Old Submarine Technologies Using Plastic Bottles as Reaction Vessels and Models

    Science.gov (United States)

    Horikoshi, Ryo; Takeiri, Fumitaka; Kobayashi, Yoji; Kageyama, Hiroshi

    2016-01-01

    We describe an activity that is suitable for high school students and makes use of plastic bottles. This activity allows students to familiarize themselves with gas chemistry by introducing technologies that were applied in old submarine systems. Plastic bottles, which are representative of submarines, are used as reaction vessels. Three simple…

  4. High-resolution air quality simulation over Europe with the chemistry transport model CHIMERE

    Directory of Open Access Journals (Sweden)

    E. Terrenoire

    2015-01-01

    The results suggest that future work should focus on the development of national bottom-up emission inventories including a better account for semi-volatile organic compounds and their conversion to SOA, the improvement of the CHIMERE urban parameterization, the introduction into CHIMERE of the coarse nitrate chemistry and an advanced parameterization accounting for windblown dust emissions.

  5. New framework for extending cloud chemistry in the Community Multiscale Air Quality (CMAQ) modeling

    Science.gov (United States)

    Clouds and fogs significantly impact the amount, composition, and spatial distribution of gas and particulate atmospheric species, not least of which through the chemistry that occurs in cloud droplets. Atmospheric sulfate is an important component of fine aerosol mass and in an...

  6. How the Chemistry Modeling Curriculum Engages Students in Seven Science Practices Outlined by the College Board

    Science.gov (United States)

    Posthuma-Adams, Erica

    2014-01-01

    As advanced placement (AP) teachers strive to implement the changes outlined in the AP chemistry redesign, they will have the opportunity to reflect on and evaluate their current practices. For many AP teachers, the new focus on conceptual understanding, reasoning, inquiry, and critical thinking over memorization and algorithmic problem solving…

  7. The Chemistry of Conscious States - Toward a Unified Model of the ...

    Indian Academy of Sciences (India)

    In The Chemistry of Conscious States, J Allan. Hobson takes us on a tour of the chemical brain. He brings all the insights and perspectives of a neurologist and researcher, which provide wonderful anecdotes but also sometimes limit the scope of the book. Although this book is written for the interested layperson, there is ...

  8. Modeling ecohydrologic processes at Hubbard Brook: Initial results for Watershed 6 stream discharge and chemistry

    Science.gov (United States)

    The Hubbard Brook Long Term Ecological Research site has produced some of the most extensive and long-running databases on the hydrology, biology and chemistry of forest ecosystem responses to climate and forest harvest. We used these long-term databases to calibrate and apply G...

  9. Students' Levels of Explanations, Models, and Misconceptions in Basic Quantum Chemistry: A Phenomenographic Study

    Science.gov (United States)

    Stefani, Christina; Tsaparlis, Georgios

    2009-01-01

    We investigated students' knowledge constructions of basic quantum chemistry concepts, namely atomic orbitals, the Schrodinger equation, molecular orbitals, hybridization, and chemical bonding. Ausubel's theory of meaningful learning provided the theoretical framework and phenomenography the method of analysis. The semi-structured interview with…

  10. Threaded Introductory Chemistry for Prepharmacy: A Model for Preprofessional Curriculum Redesign

    Science.gov (United States)

    Barth, Benjamin S.; Bucholtz, Ehren C.

    2017-01-01

    Introductory chemistry courses are required as part of the undergraduate preparation necessary for entry into an array of professional programs. Given the varied priorities of the student population in these courses, it can be difficult to present the material such that students see their individual future academic priorities represented in each…

  11. Special Report: Chemistry of Comets.

    Science.gov (United States)

    A'Hearn, Michael F.

    1984-01-01

    Discusses the chemistry of comets. How comets provide clues to the birth of the solar system, photolytic reactions on comets involving water, chemical modeling, nuclear chemistry, and research findings are among the areas considered. (JN)

  12. Incorporating regime metrics into latent variable dynamic models to detect early-warning signals of functional changes in fisheries ecology

    OpenAIRE

    Trifonova, N; Duplisea, D; Kenny, A; Maxwell, D; Tucker, A

    2014-01-01

    In this study, dynamic Bayesian networks have been applied to predict future biomass of geographically different but functionally equivalent fish species. A latent variable is incorporated to model functional collapse, where the underlying food web structure dramatically changes irrevocably (known as a regime shift). We examined if the use of a hidden variable can reflect changes in the trophic dynamics of the system and also whether the inclusion of recognised statistical metrics would impro...

  13. Modeling and observational constraints on the sulfur cycle in the marine troposphere: a focus on reactive halogens and multiphase chemistry

    Science.gov (United States)

    Chen, Q.; Breider, T.; Schmidt, J.; Sherwen, T.; Evans, M. J.; Xie, Z.; Quinn, P.; Bates, T. S.; Alexander, B.

    2017-12-01

    The radiative forcing from marine boundary layer clouds is still highly uncertain, which partly stems from our poor understanding of cloud condensation nuclei (CCN) formation. The oxidation of dimethyl sulfide (DMS) and subsequent chemical evolution of its products (e.g. DMSO) are key processes in CCN formation, but are generally very simplified in large-scale models. Recent research has pointed out the importance of reactive halogens (e.g. BrO and Cl) and multiphase chemistry in the tropospheric sulfur cycle. In this study, we implement a series of sulfur oxidation mechanisms into the GEOS-Chem global chemical transport model, involving both gas-phase and multiphase oxidation of DMS, DMSO, MSIA and MSA, to improve our understanding of the sulfur cycle in the marine troposphere. DMS observations from six locations around the globe and MSA/nssSO42- ratio observations from two ship cruises covering a wide range of latitudes and longitudes are used to assess the model. Preliminary results reveal the important role of BrO for DMS oxidation at high latitudes (up to 50% over Southern Ocean). Oxidation of DMS by Cl radicals is small in the model (within 10% in the marine troposphere), probably due to an underrepresentation of Cl sources. Multiphase chemistry (e.g. oxidation by OH and O3 in cloud droplets) is not important for DMS oxidation but is critical for DMSO oxidation and MSA production and removal. In our model, about half of the DMSO is oxidized in clouds, leading to the formation of MSIA, which is further oxidized to form MSA. Overall, with the addition of reactive halogens and multiphase chemistry, the model is able to better reproduce observations of seasonal variations of DMS and MSA/nssSO42- ratios.

  14. A Comparison of Simulated JWST Observations Derived from Equilibrium and Non-equilibrium Chemistry Models of Giant Exoplanets

    Science.gov (United States)

    Blumenthal, Sarah D.; Mandell, Avi M.; Hébrard, Eric; Batalha, Natasha E.; Cubillos, Patricio E.; Rugheimer, Sarah; Wakeford, Hannah R.

    2018-02-01

    We aim to see if the difference between equilibrium and disequilibrium chemistry is observable in the atmospheres of transiting planets by the James Webb Space Telescope (JWST). We perform a case study comparing the dayside emission spectra of three planets like HD 189733b, WASP-80b, and GJ 436b, in and out of chemical equilibrium at two metallicities each. These three planets were chosen because they span a large range of planetary masses and equilibrium temperatures, from hot and Jupiter-sized to warm and Neptune-sized. We link the one-dimensional disequilibrium chemistry model from Venot et al. (2012), in which thermochemical kinetics, vertical transport, and photochemistry are taken into account, to the one-dimensional, pseudo line-by-line radiative transfer model, Pyrat bay, developed especially for hot Jupiters, and then simulate JWST spectra using PandExo for comparing the effects of temperature, metallicity, and radius. We find the most significant differences from 4 to 5 μm due to disequilibrium from CO and CO2 abundances, and also H2O for select cases. Our case study shows a certain “sweet spot” of planetary mass, temperature, and metallicity where the difference between equilibrium and disequilibrium is observable. For a planet similar to WASP-80b, JWST’s NIRSpec G395M can detect differences due to disequilibrium chemistry with one eclipse event. For a planet similar to GJ 436b, the observability of differences due to disequilibrium chemistry is possible at low metallicity given five eclipse events, but not possible at the higher metallicity.

  15. Chemistry Notes

    Science.gov (United States)

    School Science Review, 1976

    1976-01-01

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

  16. Chemistry Dashboard

    Science.gov (United States)

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

  17. The Breath of Chemistry

    DEFF Research Database (Denmark)

    Josephsen, Jens

    The present preliminary text is a short thematic presentation in biological inorganic chemistry meant to illustrate general and inorganic (especially coordination) chemistry in biochemistry. The emphasis is on molecular models to explain features of the complicated mechanisms essential to breathing...

  18. Chemistry of Furan Conversion into Aromatics and Olefins over HZSM-5: A Model Biomass Conversion Reaction

    Energy Technology Data Exchange (ETDEWEB)

    Cheng, Yu-Ting; Huber, George W.

    2011-06-03

    The conversion of furan (a model of cellulosic biomass) over HZSM-5 was investigated in a thermogravimetric analysis–mass spectrometry system, in situ Fourier transform infrared analysis, and in a continuous-flow fixed-bed reactor. Furan adsorbed as oligomers at room temperature with a 1.73 of adsorbed furan/Al ratio. These oligomers were polycyclic aromatic compounds that were converted to CO, CO₂, aromatics, and olefins at temperatures from 400 to 600 °C. Aromatics (e.g., benzene, toluene, and naphthalene), oligomer isomers (e.g., benzofuran, 2,2-methylenebisfuran, and benzodioxane), and heavy oxygenates (C₁₂{sub +} oligomers) were identified as intermediates formed inside HZSM-5 at different reaction temperatures. During furan conversion, graphite-type coke formed on the catalyst surface, which caused the aromatics and olefins formation to deactivate within the first 30 min of time on-stream. We have measured the effects of space velocity and temperature for furan conversion to help us understand the chemistry of biomass conversion inside zeolite catalysts. The major products for furan conversion included CO, CO₂, allene, C₂–C₆ olefins, benzene, toluene, styrene, benzofuran, indene, and naphthalene. The aromatics (benzene and toluene) and olefins (ethylene and propylene) selectivity decreased with increasing space velocity. Unsaturated hydrocarbons such as allene, cyclopentadiene, and aromatics selectivity increased with increasing space velocity. The product distribution was selective to olefins and CO at high temperatures (650 °C) but was selective to aromatics (benzene and toluene) at intermediate temperatures (450–600 °C). At low temperatures (450 °C), benzofuran and coke contributed 60% of the carbon selectivity. Several different reactions were occurring for furan conversion over zeolites. Some important reactions that we have identified in this study include Diels–Alder condensation (e.g., two furans form benzofuran and water

  19. Ocean fronts drive marine fishery production and biogeochemical cycling.

    Science.gov (United States)

    Woodson, C Brock; Litvin, Steven Y

    2015-02-10

    Long-term changes in nutrient supply and primary production reportedly foreshadow substantial declines in global marine fishery production. These declines combined with current overfishing, habitat degradation, and pollution paint a grim picture for the future of marine fisheries and ecosystems. However, current models forecasting such declines do not account for the effects of ocean fronts as biogeochemical hotspots. Here we apply a fundamental technique from fluid dynamics to an ecosystem model to show how fronts increase total ecosystem biomass, explain fishery production, cause regime shifts, and contribute significantly to global biogeochemical budgets by channeling nutrients through alternate trophic pathways. We then illustrate how ocean fronts affect fishery abundance and yield, using long-term records of anchovy-sardine regimes and salmon abundances in the California Current. These results elucidate the fundamental importance of biophysical coupling as a driver of bottom-up vs. top-down regulation and high productivity in marine ecosystems.

  20. Positronium chemistry

    CERN Document Server

    Green, James

    1964-01-01

    Positronium Chemistry focuses on the methodologies, reactions, processes, and transformations involved in positronium chemistry. The publication first offers information on positrons and positronium and experimental methods, including mesonic atoms, angular correlation measurements, annihilation spectra, and statistical errors in delayed coincidence measurements. The text then ponders on positrons in gases and solids. The manuscript takes a look at the theoretical chemistry of positronium and positronium chemistry in gases. Topics include quenching, annihilation spectrum, delayed coincidence

  1. Aquatic Chemistry

    International Nuclear Information System (INIS)

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

    1987-07-01

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

  2. Combinatorial chemistry

    DEFF Research Database (Denmark)

    Nielsen, John

    1994-01-01

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

  3. 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

  4. Harvest Strategies for an Ecosystem Approach to Fisheries Management in Western Mediterranean Demersal Fisheries

    Directory of Open Access Journals (Sweden)

    Antoni Quetglas

    2017-04-01

    Full Text Available The serious overfishing of most Mediterranean stocks demands urgent reforms of the management measures aiming to guarantee the sustainability of resources, notably when compared with the improvement observed in other European areas. The new EU Common Fisheries Policy (CFP constitutes an excellent opportunity to introduce the changes needed for such a reform. According to this CFP, all European fish stocks should be brought to a state where they can produce at MSY by 2020 at the latest. The CFP also establishes that the objective of sustainable exploitation should be achieved through multiannual plans (MAPs adopted in consultation with relevant stakeholders having fisheries management interests such as fishermen, non-governmental organizations, and policy makers. Together with the MSY and MAP approaches, the new CFP contains several other measures, directed to guarantee the ecological and socio-economic sustainability of fisheries by means of the implementation of the ecosystem approach to fisheries management (EAFM. With this new perspective, the CFP wants to avoid past failures of fisheries management based on monospecific approaches. This study is a first step toward the application of the EAFM in the Balearic Islands by means of the development of a harvest strategy with defined objectives, targets, limits, and clear management control rules aimed at optimizing socioeconomic and ecological objectives in the framework of the new CFP. Different management scenarios designed to achieve that goal were modeled for the main demersal commercial fisheries from the study area, the bottom trawl, and small-scale fisheries. The work begins with a general description of those fisheries, their main fishing grounds, and assessments of the exploitation status of the main target stocks in order to establish the current situation. Secondly, alternative management scenarios to maximize catch and profits while considering societal objectives were evaluated by

  5. Skin cancer risks avoided by the Montreal Protocol--worldwide modeling integrating coupled climate-chemistry models with a risk model for UV.

    Science.gov (United States)

    van Dijk, Arjan; Slaper, Harry; den Outer, Peter N; Morgenstern, Olaf; Braesicke, Peter; Pyle, John A; Garny, Hella; Stenke, Andrea; Dameris, Martin; Kazantzidis, Andreas; Tourpali, Kleareti; Bais, Alkiviadis F

    2013-01-01

    The assessment model for ultraviolet radiation and risk "AMOUR" is applied to output from two chemistry-climate models (CCMs). Results from the UK Chemistry and Aerosols CCM are used to quantify the worldwide skin cancer risk avoided by the Montreal Protocol and its amendments: by the year 2030, two million cases of skin cancer have been prevented yearly, which is 14% fewer skin cancer cases per year. In the "World Avoided," excess skin cancer incidence will continue to grow dramatically after 2030. Results from the CCM E39C-A are used to estimate skin cancer risk that had already been inevitably committed once ozone depletion was recognized: excess incidence will peak mid 21st century and then recover or even super-recover at the end of the century. When compared with a "No Depletion" scenario, with ozone undepleted and cloud characteristics as in the 1960s throughout, excess incidence (extra yearly cases skin cancer per million people) of the "Full Compliance with Montreal Protocol" scenario is in the ranges: New Zealand: 100-150, Congo: -10-0, Patagonia: 20-50, Western Europe: 30-40, China: 90-120, South-West USA: 80-110, Mediterranean: 90-100 and North-East Australia: 170-200. This is up to 4% of total local incidence in the Full Compliance scenario in the peak year. © 2012 Wiley Periodicals, Inc. Photochemistry and Photobiology © 2012 The American Society of Photobiology.

  6. 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.

  7. Photosynthesis-dependent Isoprene Emission from Leaf to Planet in a Global Carbon-chemistry-climate Model

    Science.gov (United States)

    Unger, N.; Harper, K.; Zeng, Y.; Kiang, N. Y.; Alienov, I.; Arneth, A.; Schurgers, G.; Amelynck, C.; Goldstein, A.; Guenther, A.; hide

    2013-01-01

    We describe the implementation of a biochemical model of isoprene emission that depends on the electron requirement for isoprene synthesis into the FarquharBallBerry leaf model of photosynthesis and stomatal conductance that is embedded within a global chemistry-climate simulation framework. The isoprene production is calculated as a function of electron transport-limited photosynthesis, intercellular and atmospheric carbon dioxide concentration, and canopy temperature. The vegetation biophysics module computes the photosynthetic uptake of carbon dioxide coupled with the transpiration of water vapor and the isoprene emission rate at the 30 min physical integration time step of the global chemistry-climate model. In the model, the rate of carbon assimilation provides the dominant control on isoprene emission variability over canopy temperature. A control simulation representative of the present-day climatic state that uses 8 plant functional types (PFTs), prescribed phenology and generic PFT-specific isoprene emission potentials (fraction of electrons available for isoprene synthesis) reproduces 50 of the variability across different ecosystems and seasons in a global database of 28 measured campaign-average fluxes. Compared to time-varying isoprene flux measurements at 9 select sites, the model authentically captures the observed variability in the 30 min average diurnal cycle (R2 6496) and simulates the flux magnitude to within a factor of 2. The control run yields a global isoprene source strength of 451 TgC yr1 that increases by 30 in the artificial absence of plant water stress and by 55 for potential natural vegetation.

  8. Combustion chemistry

    Energy Technology Data Exchange (ETDEWEB)

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

    1993-12-01

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

  9. Parameterized isoprene and monoterpene emissions from the boreal forest floor: Implementation into a 1D chemistry-transport model and investigation of the influence on atmospheric chemistry

    Science.gov (United States)

    Mogensen, Ditte; Aaltonen, Hermanni; Aalto, Juho; Bäck, Jaana; Kieloaho, Antti-Jussi; Gierens, Rosa; Smolander, Sampo; Kulmala, Markku; Boy, Michael

    2015-04-01

    Volatile organic compounds (VOCs) are emitted from the biosphere and can work as precursor gases for aerosol particles that can affect the climate (e.g. Makkonen et al., ACP, 2012). VOC emissions from needles and leaves have gained the most attention, however other parts of the ecosystem also have the ability to emit a vast amount of VOCs. This, often neglected, source can be important e.g. at periods where leaves are absent. Both sources and drivers related to forest floor emission of VOCs are currently limited. It is thought that the sources are mainly due to degradation of organic matter (Isidorov and Jdanova, Chemosphere, 2002), living roots (Asensio et al., Soil Biol. Biochem., 2008) and ground vegetation. The drivers are biotic (e.g. microbes) and abiotic (e.g. temperature and moisture). However, the relative importance of the sources and the drivers individually are currently poorly understood. Further, the relative importance of these factors is highly dependent on the tree species occupying the area of interest. The emission of isoprene and monoterpenes where measured from the boreal forest floor at the SMEAR II station in Southern Finland (Hari and Kulmala, Boreal Env. Res., 2005) during the snow-free period in 2010-2012. We used a dynamic method with 3 automated chambers analyzed by Proton Transfer Reaction - Mass Spectrometer (Aaltonen et al., Plant Soil, 2013). Using this data, we have developed empirical parameterizations for the emission of isoprene and monoterpenes from the forest floor. These parameterizations depends on abiotic factors, however, since the parameterizations are based on field measurements, biotic features are captured. Further, we have used the 1D chemistry-transport model SOSAA (Boy et al., ACP, 2011) to test the seasonal relative importance of inclusion of these parameterizations of the forest floor compared to the canopy crown emissions, on the atmospheric reactivity throughout the canopy.

  10. Historical changes of the Mediterranean Sea ecosystem: modelling the role and impact of primary productivity and fisheries changes over time

    Science.gov (United States)

    Piroddi, Chiara; Coll, Marta; Liquete, Camino; Macias, Diego; Greer, Krista; Buszowski, Joe; Steenbeek, Jeroen; Danovaro, Roberto; Christensen, Villy

    2017-03-01

    The Mediterranean Sea has been defined “under siege” because of intense pressures from multiple human activities; yet there is still insufficient information on the cumulative impact of these stressors on the ecosystem and its resources. We evaluate how the historical (1950-2011) trends of various ecosystems groups/species have been impacted by changes in primary productivity (PP) combined with fishing pressure. We investigate the whole Mediterranean Sea using a food web modelling approach. Results indicate that both changes in PP and fishing pressure played an important role in driving species dynamics. Yet, PP was the strongest driver upon the Mediterranean Sea ecosystem. This highlights the importance of bottom-up processes in controlling the biological characteristics of the region. We observe a reduction in abundance of important fish species (~34%, including commercial and non-commercial) and top predators (~41%), and increases of the organisms at the bottom of the food web (~23%). Ecological indicators, such as community biomass, trophic levels, catch and diversity indicators, reflect such changes and show overall ecosystem degradation over time. Since climate change and fishing pressure are expected to intensify in the Mediterranean Sea, this study constitutes a baseline reference for stepping forward in assessing the future management of the basin.

  11. Comparative ecology of widely distributed pelagic fish species in the North Atlantic: Implications for modelling climate and fisheries impacts

    Science.gov (United States)

    Trenkel, V. M.; Huse, G.; MacKenzie, B. R.; Alvarez, P.; Arrizabalaga, H.; Castonguay, M.; Goñi, N.; Grégoire, F.; Hátún, H.; Jansen, T.; Jacobsen, J. A.; Lehodey, P.; Lutcavage, M.; Mariani, P.; Melvin, G. D.; Neilson, J. D.; Nøttestad, L.; Óskarsson, G. J.; Payne, M. R.; Richardson, D. E.; Senina, I.; Speirs, D. C.

    2014-12-01

    This paper reviews the current knowledge on the ecology of widely distributed pelagic fish stocks in the North Atlantic basin with emphasis on their role in the food web and the factors determining their relationship with the environment. We consider herring (Clupea harengus), mackerel (Scomber scombrus), capelin (Mallotus villosus), blue whiting (Micromesistius poutassou), and horse mackerel (Trachurus trachurus), which have distributions extending beyond the continental shelf and predominantly occur on both sides of the North Atlantic. We also include albacore (Thunnus alalunga), bluefin tuna (Thunnus thynnus), swordfish (Xiphias gladius), and blue marlin (Makaira nigricans), which, by contrast, show large-scale migrations at the basin scale. We focus on the links between life history processes and the environment, horizontal and vertical distribution, spatial structure and trophic role. Many of these species carry out extensive migrations from spawning grounds to nursery and feeding areas. Large oceanographic features such as the North Atlantic subpolar gyre play an important role in determining spatial distributions and driving variations in stock size. Given the large biomasses of especially the smaller species considered here, these stocks can exert significant top-down pressures on the food web and are important in supporting higher trophic levels. The review reveals commonalities and differences between the ecology of widely distributed pelagic fish in the NE and NW Atlantic basins, identifies knowledge gaps and modelling needs that the EURO-BASIN project attempts to address.

  12. Demand analysis for Nigerian fisheries

    OpenAIRE

    Okpanefe, M.O.

    1983-01-01

    This paper reviews available past fisheries statistics data and examines the basis of derivation of the estimates and concludes that much needs to be done to establish reliable fisheries data based on well defined methodology. Subsequently, fish consumption data for the ten-year-period 1971-1979 were related to the yearly population that consumes the fish

  13. Archives: Nigerian Journal of Fisheries

    African Journals Online (AJOL)

    Archives: Nigerian Journal of Fisheries. Journal Home > Archives: Nigerian Journal of Fisheries. Log in or Register to get access to full text downloads. Username, Password, Remember me, or Register · Journal Home · ABOUT THIS JOURNAL · Advanced Search · Current Issue · Archives. 1 - 3 of 3 Items. 2008. Vol 5, No 2 ...

  14. Managing Small-scale Fisheries

    International Development Research Centre (IDRC) Digital Library (Canada)

    In addition, small-scale fisheries are often based in small coastal communities that depend on local resources that can be affected, positively or negatively, by surrounding economic activities. ...... Image Provide a means of communicating the intentions and needs of fisheries to new stakeholders; for example, donors.

  15. Enviro-HIRLAM online integrated meteorology-chemistry modelling system: strategy, methodology, developments and applications (v7.2)

    Science.gov (United States)

    Baklanov, Alexander; Smith Korsholm, Ulrik; Nuterman, Roman; Mahura, Alexander; Pagh Nielsen, Kristian; Hansen Sass, Bent; Rasmussen, Alix; Zakey, Ashraf; Kaas, Eigil; Kurganskiy, Alexander; Sørensen, Brian; González-Aparicio, Iratxe

    2017-08-01

    The Environment - High Resolution Limited Area Model (Enviro-HIRLAM) is developed as a fully online integrated numerical weather prediction (NWP) and atmospheric chemical transport (ACT) model for research and forecasting of joint meteorological, chemical and biological weather. The integrated modelling system is developed by the Danish Meteorological Institute (DMI) in collaboration with several European universities. It is the baseline system in the HIRLAM Chemical Branch and used in several countries and different applications. The development was initiated at DMI more than 15 years ago. The model is based on the HIRLAM NWP model with online integrated pollutant transport and dispersion, chemistry, aerosol dynamics, deposition and atmospheric composition feedbacks. To make the model suitable for chemical weather forecasting in urban areas, the meteorological part was improved by implementation of urban parameterisations. The dynamical core was improved by implementing a locally mass-conserving semi-Lagrangian numerical advection scheme, which improves forecast accuracy and model performance. The current version (7.2), in comparison with previous versions, has a more advanced and cost-efficient chemistry, aerosol multi-compound approach, aerosol feedbacks (direct and semi-direct) on radiation and (first and second indirect effects) on cloud microphysics. Since 2004, the Enviro-HIRLAM has been used for different studies, including operational pollen forecasting for Denmark since 2009 and operational forecasting atmospheric composition with downscaling for China since 2017. Following the main research and development strategy, further model developments will be extended towards the new NWP platform - HARMONIE. Different aspects of online coupling methodology, research strategy and possible applications of the modelling system, and fit-for-purpose model configurations for the meteorological and air quality communities are discussed.

  16. Modelling the effects of the October 1989 solar proton event on mesospheric odd nitrogen using a detailed ion and neutral chemistry model

    Directory of Open Access Journals (Sweden)

    P. T. Verronen

    Full Text Available Solar proton events and electron precipitation affect the concentrations of middle atmospheric constituents. Ionization caused by precipitating particles enhances the production of important minor neutral constituents, such as nitric oxide, through reaction chains in which ionic reactions play an important role. The Sodankylä Ion Chemistry model (SIC has been modified and extended into a detailed ion and neutral chemistry model of the mesosphere. Our steady-state model (containing 55 ion species, 8 neutral species, and several hundred chemical reactions is used to investigate the effect of the October 1989 solar proton event on odd nitrogen at altitudes between 50–90 km. The modelling results show that the NO concentration is significantly enhanced due to the proton precipitation, reaching 107 –108 cm-3 throughout the mesosphere on the 20 October when the proton forcing was most severe. A comparison between the chemical production channels of odd nitrogen indicates that ion chemical reactions are an important factor in the total odd nitrogen production during intense ionization. The modelled electron concentration for the 23 October is compared with EISCAT incoherent scatter radar measurements and a reasonable agreement is found.

    Key words. Atmospheric composition and structure (Middle atmosphere – composition and chemistry; Ionosphere (Particle precipitation

  17. Adenine Synthesis in a Model Prebiotic Reaction: Connecting Origin of Life Chemistry with Biology

    OpenAIRE

    Anumukonda, Lakshmi N.; Young, Avery; Lynn, David G.; Buckley, Ragan; Warrayat, Amena; Graves, Christina L.; Bean, Heather D.; Hud, Nicholas V.

    2011-01-01

    Many high school laboratory experiments demonstrate concepts related to biological evolution, but few exist that allow students to investigate life?s chemical origins. This series of laboratory experiments has been developed to allow students to explore and appreciate the deep connection that exists between prebiotic chemistry, chemical evolution, and contemporary biological systems. In the first experiment of the series, students synthesize adenine, one of the purine nucleobases of DNA and R...

  18. Adenine Synthesis in a Model Prebiotic Reaction: Connecting Origin of Life Chemistry with Biology.

    Science.gov (United States)

    Anumukonda, Lakshmi N; Young, Avery; Lynn, David G; Buckley, Ragan; Warrayat, Amena; Graves, Christina L; Bean, Heather D; Hud, Nicholas V

    2011-12-01

    Many high school laboratory experiments demonstrate concepts related to biological evolution, but few exist that allow students to investigate life's chemical origins. This series of laboratory experiments has been developed to allow students to explore and appreciate the deep connection that exists between prebiotic chemistry, chemical evolution, and contemporary biological systems. In the first experiment of the series, students synthesize adenine, one of the purine nucleobases of DNA and RNA, from plausibly prebiotic precursor molecules. Students compare their product to authentic standards using thin-layer chromatography. The second and third experiments of the series allow students to extract DNA from a familiar organism, the strawberry, and hydrolyze it, releasing adenine, which they can then compare to the previously chemically-synthesized adenine. A fourth, optional experiment is included where the technique of thin-layer chromatography is introduced and chromatographic skills are developed for use in the other three experiments that comprise this series. Concepts relating to organic and analytical chemistry, as well as biochemistry and DNA structure, are incorporated throughout, allowing this series of laboratory experiments to be easily inserted into existing laboratory courses and to reinforce concepts already included in any high school chemistry or biology curriculum.

  19. 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.

  20. CROATIAN FRESHWATER FISHERY

    Directory of Open Access Journals (Sweden)

    Višnja Knjaz

    2007-07-01

    Full Text Available The basic characteristics of freshwater fishery in Croatia are predominantly negative trend in the past twenty years. Even though the total fish pond area covers more than 12,000 hectares, only 6,200 hectares of carp ponds and 58,700 m2 of trout ponds have been exploited. In 2006 the production of total freshwater fish reached 6,547 tons, out of which the production of consumable fish amounted to 5,067 tons and the juveniles 1,480 tons. The export of freshwater fish to EU countries, Macedonia, Bosnia and Herzegovina, Serbia and Monte Negro shows the positive trend and the Republic of Croatia continuously records a foreign trade surplus (987,000 US$. It must be pointed out, though, that the import of trout from Bosnia and Herzegovina significantly increased in the past three years which resulted in the decrease of the foreign trade surplus in that sector. The freshwater fishery in Croatia has been overly burdened by many problems

  1. Fisheries Exploitation by Albatross Quantified With Lipid Analysis

    Directory of Open Access Journals (Sweden)

    Melinda G. Conners

    2018-04-01

    Full Text Available Mortality from incidental bycatch in longline fishery operations is a global threat to seabird populations, and especially so for the albatross family (Diomedeidae in which 15 out of 22 species are threatened with extinction. Despite the risks, fisheries remain attractive to many species of seabird by providing access to high-energy foods in the form of discarded fish and offal, target fish, and baited hooks. Current policy regarding fisheries management is increasingly aimed at discard reform, exemplified by a discard ban initiated in the European Union Common Fisheries Policy in 2014. While there is global agreement on the importance of minimizing the waste inherent in bycatch and discards, there is also growing concern that there is a need to understand the extent to which marine animals rely on fisheries-associated resources, especially at the colony and individual levels. We used a novel adaptation of quantitative fatty acid signature analysis (QFASA to quantify fisheries-associated prey in the diet of two threatened North Pacific albatross species. Diet was estimated with QFASA using multiple lipid classes from stomach oil collected from incubating and chick-brooding Laysan and black-footed albatrosses across three breeding seasons. Prey-specific error was estimated by comparing QFASA estimated diets from known “simulated” diets, which informed the level of precaution appropriate when interpreting model results. Fisheries-associated diet occurred in both albatross species across both the incubation and chick-brood stages; however, neither species relied on fisheries food as the dominant food source (consisting of <10% of the total pooled proportional diet in each species. While total diet proportion was low, the incidence of fisheries-associated resources in albatross diets was highest in the 2009–2010 breeding season when there was a strong central Pacific El Niño. Additionally, the diets of a few individuals consisted almost

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

    Directory of Open Access Journals (Sweden)

    M. Astitha

    2012-11-01

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

  3. Forage fish, their fisheries, and their predators: who drives whom?

    DEFF Research Database (Denmark)

    Engelhard, Georg H.; Peck, Myron A.; Rindorf, Anna

    2014-01-01

    The North Sea has a diverse forage fish assemblage, including herring, targeted for human consumption; sandeel, sprat, and Norway pout, exploited by industrial fisheries; and some sardine and anchovy, supporting small-scale fisheries. All show large abundance fluctuations, impacting on fisheries...... and predators. We review field, laboratory, and modelling studies to investigate the drivers of this complex system of forage fish. Climate clearly influences forage fish productivity; however, any single-species considerations of the influence of climate might fail if strong interactions between forage fish...... exist, as in the North Sea. Sandeel appears to be the most important prey forage fish. Seabirds are most dependent on forage fish, due to specialized diet and distributional constraints (breeding colonies). Other than fisheries, key predators of forage fish are a few piscivorous fish species including...

  4. SUPPLY CHAIN ANALYSIS AND PERFORMANCE ASSESSMENT OF SME FISHERIES CLUSTERS

    Directory of Open Access Journals (Sweden)

    Anton Agus Setyawan

    2017-12-01

    Full Text Available Study of SME in Indonesia related with business networks and performance in these business organizations. In many cases, regional administration in Indonesia develops SME business network in the form of clusters. This study analyzes SME fisheries clusters with supply chain analysis.  We also develop performance assessment of SME fisheries cluster by using multivariate model. This study involves 62 SMEs in Sragen, Central Java Indonesia. Those SMEs  includes in fisheries cluster in the area. Our findings show that SME fisheries cluster has in-efficient supply chain. This business clusters has problems in profit setting and delivery time which harm their performance. We measure business performance by using business selling, profit rate and asset growth. We found that cost structure, man power and physical production has positive effects to business performance.

  5. Projected impacts of climate change on marine fish and fisheries

    DEFF Research Database (Denmark)

    Hollowed, Anne B.; Barange, Manuel; Beamish, Richard J.

    2013-01-01

    This paper reviews current literature on the projected effects of climate change on marine fish and shellfish, their fisheries, and fishery-dependent communities throughout the northern hemisphere. The review addresses the following issues: (i) expected impacts on ecosystem productivity and habitat......) implications for food security and associated changes; and (v) uncertainty and modelling skill assessment. Climate change will impact fish and shellfish, their fisheries, and fishery-dependent communities through a complex suite of linked processes. Integrated interdisciplinary research teams are forming...... in many regions to project these complex responses. National and international marine research organizations serve a key role in the coordination and integration of research to accelerate the production of projections of the effects of climate change on marine ecosystems and to move towards a future where...

  6. The Economics of Marine Ecosystem Services – the Fisheries Case

    DEFF Research Database (Denmark)

    Ravensbeck, Lars

    The thesis “The Economics of Marine Ecosystem Services − the Fisheries Case” focuses on some of the issues in marine resources economics that have attracted significant interest in recent years. Historically, the central issue has been fisheries economics and how to management fish stocks to obtain...... in the formation of flows of ecosystem services from the oceans it is possible to integrate classical fisheries economics with a broader ecosystem approach. The core element of the thesis is the combination of fisheries economics, an ecosystem approach and extended, applied bioeconomic models. The thesis consists...... of five papers, but additionally five other documents have been authored or co-authored in relation to the thesis. The first document is a book chapter that surveys the state of art in some main areas related to green accounting and the links to economic value of ecosystem services particularly those...

  7. Use of the HadGEM2 climate-chemistry model to investigate interannual variability in methane sources

    Science.gov (United States)

    Hayman, Garry; O'Connor, Fiona; Clark, Douglas; Huntingford, Chris; Gedney, Nicola

    2013-04-01

    The global mean atmospheric concentration of methane (CH4) has more than doubled during the industrial era [1] and now constitutes ? 20% of the anthropogenic climate forcing by greenhouse gases [2]. The globally-averaged CH4 growth rate, derived from surface measurements, has fallen significantly from a high of 16 ppb yr-1 in the late 1970s/early 1980s and was close to zero between 1999 and 2006 [1]. This overall period of declining or low growth was however interspersed with years of positive growth-rate anomalies (e.g., in 1991-1992, 1998-1999 and 2002-2003). Since 2007, renewed growth has been evident [1, 3], with the largest increases observed over polar northern latitudes and the Southern Hemisphere in 2007 and in the tropics in 2008. The observed inter-annual variability in atmospheric methane concentrations and the associated changes in growth rates have variously been attributed to changes in different methane sources and sinks [1, 4]. In this paper, we report results from runs of the HadGEM2 climate-chemistry model [5] using year- and month-specific emission datasets. The HadGEM2 model includes the comprehensive atmospheric chemistry and aerosol package, the UK Chemistry Aerosol community model (UKCA, http://www.ukca.ac.uk/wiki/index.php). The Standard Tropospheric Chemistry scheme was selected for this work. This chemistry scheme simulates the Ox, HOx and NOx chemical cycles and the oxidation of CO, methane, ethane and propane. Year- and month-specific emission datasets were generated for the period from 1997 to 2009 for the emitted species in the chemistry scheme (CH4, CO, NOx, HCHO, C2H6, C3H8, CH3CHO, CH3CHOCH3). The approach adopted varied depending on the source sector: Anthropogenic: The emissions from anthropogenic sources were based on decadal-averaged emission inventories compiled by [6] for the Coupled Carbon Cycle Climate Model Intercomparison Project (C4MIP). These were then used to derive year-specific emission datasets by scaling the

  8. Heat Transfer Salts for Nuclear Reactor Systems - Chemistry Control, Corrosion Mitigation, and Modeling

    International Nuclear Information System (INIS)

    Anderson, Mark; Sridharan, Kumar; Morgan, Dane; Peterson, Per; Calderoni, Pattrick; Scheele, Randall; Casekka, Andrew; McNamara, Bruce

    2015-01-01

    The concept of a molten salt reactor has existed for nearly sixty years. Previously all work was done during a large collaborative effort at Oak Ridge National Laboratory, culminating in a research reactor which operated for 15,000 hours without major error. This technical success has garnished interest in modern, high temperature, reactor schemes. Research using molten fluoride salts for nuclear applications requires a steady supply of high grade molten salts. There is no bulk supplier of research grade fluoride salts in the world, so a facility which could provide all the salt needed for testing at the University of Wisconsin had to be produced. Two salt purification devices were made for this purpose, a large scale purifier, and a small scale purifier, each designed to clean the salts from impurities and reduce their corrosion potential. As of now, the small scale has performed with flibe salt, hydrogen, and hydrogen fluoride, yielding clean salt. This salt is currently being used in corrosion testing facilities at the Massachusetts Institute of Technology and the University of Wisconsin. Working with the beryllium based salts requires extensive safety measures and health monitoring to prevent the development of acute or chronic beryllium disease, two pulmonary diseases created by an allergic reaction to beryllium in the lungs. Extensive health monitoring, engineering controls, and environment monitoring had to be set up with the University of Wisconsin department of Environment, Health and Safety. The hydrogen fluoride required for purification was also an extreme health hazard requiring thoughtful planning and execution. These dangers have made research a slow and tedious process. Simple processes, such as chemical handling and clean-up, can take large amounts of ingenuity and time. Other work has complemented the experimental research at Wisconsin to advance high temperature reactor goals. Modeling work has been performed in house to re

  9. Heat Transfer Salts for Nuclear Reactor Systems - Chemistry Control, Corrosion Mitigation, and Modeling

    Energy Technology Data Exchange (ETDEWEB)

    Anderson, Mark [Univ. of Wisconsin, Madison, WI (United States); Sridharan, Kumar [Univ. of Wisconsin, Madison, WI (United States); Morgan, Dane [Univ. of Wisconsin, Madison, WI (United States); Peterson, Per [Univ. of Wisconsin, Madison, WI (United States); Calderoni, Pattrick [Univ. of Wisconsin, Madison, WI (United States); Scheele, Randall [Univ. of Wisconsin, Madison, WI (United States); Casekka, Andrew [Univ. of Wisconsin, Madison, WI (United States); McNamara, Bruce [Univ. of Wisconsin, Madison, WI (United States)

    2015-01-22

    The concept of a molten salt reactor has existed for nearly sixty years. Previously all work was done during a large collaborative effort at Oak Ridge National Laboratory, culminating in a research reactor which operated for 15,000 hours without major error. This technical success has garnished interest in modern, high temperature, reactor schemes. Research using molten fluoride salts for nuclear applications requires a steady supply of high grade molten salts. There is no bulk supplier of research grade fluoride salts in the world, so a facility which could provide all the salt needed for testing at the University of Wisconsin had to be produced. Two salt purification devices were made for this purpose, a large scale purifier, and a small scale purifier, each designed to clean the salts from impurities and reduce their corrosion potential. As of now, the small scale has performed with flibe salt, hydrogen, and hydrogen fluoride, yielding clean salt. This salt is currently being used in corrosion testing facilities at the Massachusetts Institute of Technology and the University of Wisconsin. Working with the beryllium based salts requires extensive safety measures and health monitoring to prevent the development of acute or chronic beryllium disease, two pulmonary diseases created by an allergic reaction to beryllium in the lungs. Extensive health monitoring, engineering controls, and environment monitoring had to be set up with the University of Wisconsin department of Environment, Health and Safety. The hydrogen fluoride required for purification was also an extreme health hazard requiring thoughtful planning and execution. These dangers have made research a slow and tedious process. Simple processes, such as chemical handling and clean-up, can take large amounts of ingenuity and time. Other work has complemented the experimental research at Wisconsin to advance high temperature reactor goals. Modeling work has been performed in house to re

  10. Refresher Course in Experimental Chemistry

    Indian Academy of Sciences (India)

    Srimath

    The Course will consist of stimulating experiments in different branches of chemistry covering diverse topics such as chemical kinetics, electrochemistry, spectrophotometry, polymer chemistry, advanced synthesis in inorganic and organic chemistry and molecular modelling. The focus of this. Course is to acquaint the ...

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

    Science.gov (United States)

    Hale-Hanes, Cara

    2015-01-01

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

  12. Designing a Scalable Fault Tolerance Model for High Performance Computational Chemistry: A Case Study with Coupled Cluster Perturbative Triples.

    Science.gov (United States)

    van Dam, Hubertus J J; Vishnu, Abhinav; de Jong, Wibe A

    2011-01-11

    In the past couple of decades, the massive computational power provided by the most modern supercomputers has resulted in simulation of higher-order computational chemistry methods, previously considered intractable. As the system sizes continue to increase, the computational chemistry domain continues to escalate this trend using parallel computing with programming models such as Message Passing Interface (MPI) and Partitioned Global Address Space (PGAS) programming models such as Global Arrays. The ever increasing scale of these supercomputers comes at a cost of reduced Mean Time Between Failures (MTBF), currently on the order of days and projected to be on the order of hours for upcoming extreme scale systems. While traditional disk-based check pointing methods are ubiquitous for storing intermediate solutions, they suffer from high overhead of writing and recovering from checkpoints. In practice, checkpointing itself often brings the system down. Clearly, methods beyond checkpointing are imperative to handling the aggravating issue of reducing MTBF. In this paper, we address this challenge by designing and implementing an efficient fault tolerant version of the Coupled Cluster (CC) method with NWChem, using in-memory data redundancy. We present the challenges associated with our design, including an efficient data storage model, maintenance of at least one consistent data copy, and the recovery process. Our performance evaluation without faults shows that the current design exhibits a small overhead. In the presence of a simulated fault, the proposed design incurs negligible overhead in comparison to the state of the art implementation without faults.

  13. Theoretical chemistry

    International Nuclear Information System (INIS)

    Anon.

    1975-01-01

    Work in theoretical chemistry was organized under the following topics: scattering theory and dynamics (elastic scattering of the rare gas hydrides, inelastic scattering in Li + H 2 , statistical theory for bimolecular collisions, model study of dissociative scattering, comparative study of elastic scattering computational methods), studies of atmospheric diatomic and triatomic species, structure and spectra of diatomic molecules, the evaluation of van der Waals forces, potential energy surfaces and structure and dynamics, calculation of molecular polarizabilities, and development of theoretical techniques and computing systems. Spectroscopic parameters are tabulated for NO 2 , N 2 O, H 2 O + , VH, and NH. Self-consistent-field wave functions were computed for He 2 in two-center and three-center bases. Rare gas hydride intermolecular potentials are shown. (9 figures, 14 tables) (U.S.)

  14. Uncertainty in a chemistry-transport model due to physical parameterizations and numerical approximations: An ensemble approach applied to ozone modeling

    OpenAIRE

    Mallet , Vivien; Sportisse , Bruno

    2006-01-01

    International audience; This paper estimates the uncertainty in the outputs of a chemistry-transport model due to physical parameterizations and numerical approximations. An ensemble of 20 simulations is generated from a reference simulation in which one key parameterization (chemical mechanism, dry deposition parameterization, turbulent closure, etc.) or one numerical approximation (grid size, splitting method, etc.) is changed at a time. Intercomparisons of the simulations and comparisons w...

  15. Spatially Resolved Artificial Chemistry

    DEFF Research Database (Denmark)

    Fellermann, Harold

    2009-01-01

    Although spatial structures can play a crucial role in chemical systems and can drastically alter the outcome of reactions, the traditional framework of artificial chemistry is a well-stirred tank reactor with no spatial representation in mind. Advanced method development in physical chemistry has...... made a class of models accessible to the realms of artificial chemistry that represent reacting molecules in a coarse-grained fashion in continuous space. This chapter introduces the mathematical models of Brownian dynamics (BD) and dissipative particle dynamics (DPD) for molecular motion and reaction...

  16. 78 FR 76766 - Fisheries of the Northeastern United States; Summer Flounder Fishery; Commercial Quota Harvested...

    Science.gov (United States)

    2013-12-19

    .... 111220786-1781-01] RIN 0648-XD030 Fisheries of the Northeastern United States; Summer Flounder Fishery; Commercial Quota Harvested for the State of New Jersey AGENCY: National Marine Fisheries Service (NMFS... been harvested. Vessels issued a commercial Federal fisheries permit for the summer flounder fishery...

  17. 78 FR 70890 - Fisheries of the Northeastern United States; Summer Flounder Fishery; Commercial Quota Harvested...

    Science.gov (United States)

    2013-11-27

    .... 111220786-1781-01] RIN 0648-XC998 Fisheries of the Northeastern United States; Summer Flounder Fishery; Commercial Quota Harvested for the State of New Jersey AGENCY: National Marine Fisheries Service (NMFS... been harvested. Vessels issued a commercial Federal fisheries permit for the summer flounder fishery...

  18. 78 FR 76759 - Fisheries of the Northeastern United States; Northeast Multispecies Fishery; Trimester Closure...

    Science.gov (United States)

    2013-12-19

    .... 120109034-2171-01] RIN 0648-XD024 Fisheries of the Northeastern United States; Northeast Multispecies Fishery; Trimester Closure for the Common Pool Fishery AGENCY: National Marine Fisheries Service (NMFS... INFORMATION CONTACT: Liz Sullivan, Fishery Management Specialist, 978-282-8493, Fax 978-281-9135...

  19. 76 FR 15222 - Hawaii Bottomfish and Seamount Groundfish Fisheries; Modification of Fishery Closures

    Science.gov (United States)

    2011-03-21

    ... Seamount Groundfish Fisheries; Modification of Fishery Closures AGENCY: National Marine Fisheries Service... Islands (MHI) Deep-7 bottomfish fishery from 14 to 7 days. The intent of the change is to enhance administration of the fishery. DATES: This final rule is effective April 20, 2011. ADDRESSES: Copies of the...

  20. 75 FR 26703 - Atlantic Coastal Fisheries Cooperative Management Act Provisions; Weakfish Fishery

    Science.gov (United States)

    2010-05-12

    ... CFR Part 697 [Docket No. 0912011421-0200-01] RIN 0648-AY41 Atlantic Coastal Fisheries Cooperative Management Act Provisions; Weakfish Fishery AGENCY: National Marine Fisheries Service (NMFS), National... Fisheries Commission's (Commission) Interstate Fishery Management Plan (ISFMP) for weakfish. Such action is...