Atmospheric emissions and long-range transport of persistent organic chemicals

Directory of Open Access Journals (Sweden)

Scheringer M.

2010-12-01

Full Text Available Persistent organic chemicals include several groups of halogenated compounds, such as polychlorinated biphenyls (PCBs, polybrominated diphenylethers (PBDEs, and polyfluorinated carboxylic acids (PFCAs. These chemicals remain for long times (years to decades in the environment and cycle between different media (air, water, sediment, soil, vegetation, etc.. The environmental distribution of this type of chemicals can conveniently be analyzed by multimedia models. Multimedia models consist of a set of coupled mass balance equations for the environmental media considered; they can be set up at various scales from local to global. Two applications of multimedia models to airborne chemicals are discussed in detail: the day-night cycle of PCBs measured in air near the surface, and the atmospheric long-range transport of volatile precursors of PFCAs, formation of PFCAs by oxidation of these precursors, and subsequent deposition of PFCAs to the surface in remote regions such as the Arctic.

Experimental outgassing of toxic chemicals to simulate the characteristics of hazards tainting globally shipped products.

Directory of Open Access Journals (Sweden)

Lygia Therese Budnik

Full Text Available Ambient monitoring analyses may identify potential new public health hazards such as residual levels of fumigants and industrial chemicals off gassing from products and goods shipped globally. We analyzed container air with gas chromatography coupled to mass spectrometry (TD-2D-GC-MS/FPD and assessed whether the concentration of the volatiles benzene and 1,2-dichloroethane exceeded recommended exposure limits (REL. Products were taken from transport containers and analyzed for outgassing of volatiles. Furthermore, experimental outgassing was performed on packaging materials and textiles, to simulate the hazards tainting from globally shipped goods. The mean amounts of benzene in analyzed container air were 698-fold higher, and those of ethylene dichloride were 4.5-fold higher than the corresponding REL. More than 90% of all containers struck with toluene residues higher than its REL. For 1,2-dichloroethane 53% of containers, transporting shoes exceeded the REL. In standardized experimental fumigation of various products, outgassing of 1,2-dichloroethane under controlled laboratory conditions took up to several months. Globally produced transported products tainted with toxic industrial chemicals may contribute to the mixture of volatiles in indoor air as they are likely to emit for a long period. These results need to be taken into account for further evaluation of safety standards applying to workers and consumers.

Long-range transport and global fractionation of POPs: insights from multimedia modeling studies

International Nuclear Information System (INIS)

Scheringer, M.; Salzmann, M.; Stroebe, M.; Wegmann, F.; Fenner, K.; Hungerbuehler, K.

2004-01-01

The long-range transport of persistent organic pollutants (POPs) is investigated with two multimedia box models of the global system. ChemRange is a purely evaluative, one-dimensional steady-state (level III) model; CliMoChem is a two-dimensional model with different temperatures, land/water ratios and vegetation types in different latitudinal zones. Model results are presented for three case studies: (i) the effect of atmospheric aerosol particles on the long-range transport of POPs, (ii) the effect of oceanic deposition on the long-range transport of different PCB congeners, (iii) the global fractionation of different PCB congeners. The model results for these case studies show: (i) the low atmospheric half-lives estimated for several organochlorine pesticides are likely to be inconsistent with the observed long-range transport of these compounds; (ii) export to the deep sea reduces the potential for long-range transport of highly hydrophobic compounds (but does not remove these chemicals from the biosphere); (iii) there are different meanings of the term global fractionation that refer to different aspects of the fractionation process and need to be distinguished. The case-study results further indicate that the influences of varying environmental conditions on the physicochemical properties and the degradation rate constants of POPs need to be determined. - Multimedia box models are applied to case studies of the behavior of POPs

Coupling between solute transport and chemical reactions models

International Nuclear Information System (INIS)

Samper, J.; Ajora, C.

1993-01-01

During subsurface transport, reactive solutes are subject to a variety of hydrodynamic and chemical processes. The major hydrodynamic processes include advection and convection, dispersion and diffusion. The key chemical processes are complexation including hydrolysis and acid-base reactions, dissolution-precipitation, reduction-oxidation, adsorption and ion exchange. The combined effects of all these processes on solute transport must satisfy the principle of conservation of mass. The statement of conservation of mass for N mobile species leads to N partial differential equations. Traditional solute transport models often incorporate the effects of hydrodynamic processes rigorously but oversimplify chemical interactions among aqueous species. Sophisticated chemical equilibrium models, on the other hand, incorporate a variety of chemical processes but generally assume no-flow systems. In the past decade, coupled models accounting for complex hydrological and chemical processes, with varying degrees of sophistication, have been developed. The existing models of reactive transport employ two basic sets of equations. The transport of solutes is described by a set of partial differential equations, and the chemical processes, under the assumption of equilibrium, are described by a set of nonlinear algebraic equations. An important consideration in any approach is the choice of primary dependent variables. Most existing models cannot account for the complete set of chemical processes, cannot be easily extended to include mixed chemical equilibria and kinetics, and cannot handle practical two and three dimensional problems. The difficulties arise mainly from improper selection of the primary variables in the transport equations. (Author) 38 refs

Development and evaluation of global radon transport model

International Nuclear Information System (INIS)

Kojima, H.; Nagano, K.

2003-01-01

The radioactive noble gas Radon-222 ( 222 Rn) is chemically inert and is removed only by radioactive decay (T1/2=3.8 d). Its primary source is uniformly distributed over the continents and the ocean represents a secondary source of atmospheric 222 Rn. The strong contrast in source strength between continents and the ocean makes 222 Rn an ideal marker of continental air masses. Because of its simple properties, the temporal and spatial distribution of 222 Rn in the troposphere is straightforward to simulate by means of atmospheric transport models. The simulation provides an intuitive visualization of the complex transport characteristics and more definite proof of phenomenon. In this paper, we present the results of an exploratory study, in which we investigated the performance of a three-dimensional transport model of the global troposphere in simulating the long range transport of 222 Rn. The transport equation has been solved by a numerical procedure based on some boundary conditions. The model structure which we have originally developed, has a horizontal resolution of 2.5deg in latitude and 2.5deg in longitude, and 10 layers in the vertical dimension. The basic computational time step used in the model runs was set to 5 min. The simulations described in this article were performed by means of a transport model driven by global objective analytical data of a time resolution of 6 h, supplied by the Japan Meteorological Agency. We focus on the west of North Pacific Ocean, were the influence of air pollution from an Asian Continent and the Japan Islands was received. For simulation experiments, radon data from some shipboard measurements on the North Pacific Ocean have been used in the present study. Figure shows time series of model prediction with different latitude distributions of radon exhalation rate and measured radon data. We find that our model consistently produce the observation. We will discuss the characteristics of the temporal and special

Using beryllium-7 to assess cross-tropopause transport in global models

Energy Technology Data Exchange (ETDEWEB)

Liu, Hongyu [National Institute of Aerospace, Hampton, VA (United States); Considine, David B. [NASA Langley Research Center, Hampton, VA (United States); Horowitz, Larry W. [NOAA Geophysical Fluid and Dynamics Laboratory, Princeton, NJ (United States); and others

2016-07-01

We use the Global Modeling Initiative (GMI) modeling framework to assess the utility of cosmogenic beryllium-7 ({sup 7}Be), a natural aerosol tracer, for evaluating cross-tropopause transport in global models. The GMI chemical transport model (CTM) was used to simulate atmospheric {sup 7}Be distributions using four different meteorological data sets (GEOS1-STRAT DAS, GISS II{sup '} GCM, fvGCM, and GEOS4-DAS), featuring significantly different stratosphere-troposphere exchange (STE) characteristics. The simulations were compared with the upper troposphere and/or lower stratosphere (UT/LS) {sup 7}Be climatology constructed from ∝ 25 years of aircraft and balloon data, as well as climatological records of surface concentrations and deposition fluxes. Comparison of the fraction of surface air of stratospheric origin estimated from the {sup 7}Be simulations with observationally derived estimates indicates excessive cross-tropopause transport at mid-latitudes in simulations using GEOS1-STRAT and at high latitudes using GISS II{sup '} meteorological data. These simulations also overestimate {sup 7}Be deposition fluxes at mid-latitudes (GEOS1-STRAT) and at high latitudes (GISS II{sup '}), respectively. We show that excessive cross-tropopause transport of {sup 7}Be corresponds to overestimated stratospheric contribution to tropospheric ozone. Our perspectives on STE in these meteorological fields based on {sup 7}Be simulations are consistent with previous modeling studies of tropospheric ozone using the same meteorological fields. We conclude that the observational constraints for {sup 7}Be and observed {sup 7}Be total deposition fluxes can be used routinely as a first-order assessment of cross-tropopause transport in global models.

Review of global environmental-transport models for 3H, 14C, 85Kr, and 129I

International Nuclear Information System (INIS)

Kocher, D.C.; Killough, G.G.

1983-01-01

Global environmental transport models for the long-lived and mobile radionuclides 3 H, 14 C, 85 Kr, and 129 I are reviewed from the perspective of their application to collective dose assessments following releases, e.g., from the nuclear fuel cycle. Contributions to the collective dose commitment from first-pass local and regional exposures are compared. Current global models for 14 C and 85 Kr appear to be satisfactory for dose assessment purposes. Global modeling for 3 H is more difficult than for 14 C and 85 Kr, because of the different physico-chemical forms in which atmospheric releases occur. Global models for 129 I models indicate the primary importance of retention in surface soils for collective doses during the first 10 4 years following atmospheric releases and the importance of long-term transport to ocean sediments for reducing the dose commitment

Characterization of chemical agent transport in paints.

Science.gov (United States)

Willis, Matthew P; Gordon, Wesley; Lalain, Teri; Mantooth, Brent

2013-09-15

A combination of vacuum-based vapor emission measurements with a mass transport model was employed to determine the interaction of chemical warfare agents with various materials, including transport parameters of agents in paints. Accurate determination of mass transport parameters enables the simulation of the chemical agent distribution in a material for decontaminant performance modeling. The evaluation was performed with the chemical warfare agents bis(2-chloroethyl) sulfide (distilled mustard, known as the chemical warfare blister agent HD) and O-ethyl S-[2-(diisopropylamino)ethyl] methylphosphonothioate (VX), an organophosphate nerve agent, deposited on to two different types of polyurethane paint coatings. The results demonstrated alignment between the experimentally measured vapor emission flux and the predicted vapor flux. Mass transport modeling demonstrated rapid transport of VX into the coatings; VX penetrated through the aliphatic polyurethane-based coating (100 μm) within approximately 107 min. By comparison, while HD was more soluble in the coatings, the penetration depth in the coatings was approximately 2× lower than VX. Applications of mass transport parameters include the ability to predict agent uptake, and subsequent long-term vapor emission or contact transfer where the agent could present exposure risks. Additionally, these parameters and model enable the ability to perform decontamination modeling to predict how decontaminants remove agent from these materials. Published by Elsevier B.V.

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

Modelling global container freight transport demand

NARCIS (Netherlands)

Tavasszy, L.A.; Ivanova, O.; Halim, R.A.

2015-01-01

The objective of this chapter is to discuss methods and techniques for a quantitative and descriptive analysis of future container transport demand at a global level. Information on future container transport flows is useful for various purposes. It is instrumental for the assessment of returns of

Global Land Transport Infrastructure Requirements

Energy Technology Data Exchange (ETDEWEB)

NONE

2013-06-01

Over the next four decades, global passenger and freight travel is expected to double over 2010 levels. In order to accommodate this growth, it is expected that the world will need to add nearly 25 million paved road lane-kilometres and 335 000 rail track kilometres. In addition, it is expected that between 45 000 square kilometres and 77 000 square kilometres of new parking spaces will be added to accommodate vehicle stock growth. These land transport infrastructure additions, when combined with operations, maintenance and repairs, are expected to cost as much as USD 45 trillion by 2050. This publication reports on the International Energy Agency’s (IEA) analysis of infrastructure requirements to support projected road and rail travel through 2050, using the IEA Mobility Model. It considers land transport infrastructure additions to support travel growth to 2050. It also considers potential savings if countries pursue “avoid and shift” policies: in this scenario, cumulative global land transport infrastructure spending could decrease as much as USD 20 trillion by 2050 over baseline projections.

Biosensor discovery of thyroxine transport disrupting chemicals

International Nuclear Information System (INIS)

Marchesini, Gerardo R.; Meimaridou, Anastasia; Haasnoot, Willem; Meulenberg, Eline; Albertus, Faywell; Mizuguchi, Mineyuki; Takeuchi, Makoto; Irth, Hubertus; Murk, Albertinka J.

2008-01-01

Ubiquitous chemicals may interfere with the thyroid system that is essential in the development and physiology of vertebrates. We applied a surface plasmon resonance (SPR) biosensor-based screening method for the fast screening of chemicals with thyroxine (T4) transport disrupting activity. Two inhibition assays using the main thyroid hormone transport proteins, T4 binding globulin (TBG) and transthyretin (TTR), in combination with a T4-coated biosensor chip were optimized and automated for screening chemical libraries. The transport protein-based biosensor assays were rapid, high throughput and bioeffect-related. A library of 62 chemicals including the natural hormones, polychlorinated biphenyls (PCBs), polybrominated diphenylethers (PBDEs) and metabolites, halogenated bisphenol A (BPA), halogenated phenols, pharmaceuticals, pesticides and other potential environmentally relevant chemicals was tested with the two assays. We discovered ten new active compounds with moderate to high affinity for TBG with the TBG assay. Strikingly, the most potent binding was observed with hydroxylated metabolites of the brominated diphenyl ethers (BDEs) BDE 47, BDE 49 and BDE 99, that are commonly found in human plasma. The TTR assay confirmed the activity of previously identified hydroxylated metabolites of PCBs and PBDEs, halogenated BPA and genistein. These results show that the hydroxylated metabolites of the ubiquitous PBDEs not only target the T4 transport at the TTR level, but also, and to a great extent, at the TBG level where most of the T4 in humans is circulating. The optimized SPR biosensor-based transport protein assay is a suitable method for high throughput screening of large libraries for potential thyroid hormone disrupting compounds

Biosensor discovery of thyroxine transport disrupting chemicals.

Science.gov (United States)

Marchesini, Gerardo R; Meimaridou, Anastasia; Haasnoot, Willem; Meulenberg, Eline; Albertus, Faywell; Mizuguchi, Mineyuki; Takeuchi, Makoto; Irth, Hubertus; Murk, Albertinka J

2008-10-01

Ubiquitous chemicals may interfere with the thyroid system that is essential in the development and physiology of vertebrates. We applied a surface plasmon resonance (SPR) biosensor-based screening method for the fast screening of chemicals with thyroxine (T4) transport disrupting activity. Two inhibition assays using the main thyroid hormone transport proteins, T4 binding globulin (TBG) and transthyretin (TTR), in combination with a T4-coated biosensor chip were optimized and automated for screening chemical libraries. The transport protein-based biosensor assays were rapid, high throughput and bioeffect-related. A library of 62 chemicals including the natural hormones, polychlorinated biphenyls (PCBs), polybrominated diphenylethers (PBDEs) and metabolites, halogenated bisphenol A (BPA), halogenated phenols, pharmaceuticals, pesticides and other potential environmentally relevant chemicals was tested with the two assays. We discovered ten new active compounds with moderate to high affinity for TBG with the TBG assay. Strikingly, the most potent binding was observed with hydroxylated metabolites of the brominated diphenyl ethers (BDEs) BDE 47, BDE 49 and BDE 99, that are commonly found in human plasma. The TTR assay confirmed the activity of previously identified hydroxylated metabolites of PCBs and PBDEs, halogenated BPA and genistein. These results show that the hydroxylated metabolites of the ubiquitous PBDEs not only target the T4 transport at the TTR level, but also, and to a great extent, at the TBG level where most of the T4 in humans is circulating. The optimized SPR biosensor-based transport protein assay is a suitable method for high throughput screening of large libraries for potential thyroid hormone disrupting compounds.

Parallel Transport with Sheath and Collisional Effects in Global Electrostatic Turbulent Transport in FRCs

Science.gov (United States)

Bao, Jian; Lau, Calvin; Kuley, Animesh; Lin, Zhihong; Fulton, Daniel; Tajima, Toshiki; Tri Alpha Energy, Inc. Team

2017-10-01

Collisional and turbulent transport in a field reversed configuration (FRC) is studied in global particle simulation by using GTC (gyrokinetic toroidal code). The global FRC geometry is incorporated in GTC by using a field-aligned mesh in cylindrical coordinates, which enables global simulation coupling core and scrape-off layer (SOL) across the separatrix. Furthermore, fully kinetic ions are implemented in GTC to treat magnetic-null point in FRC core. Both global simulation coupling core and SOL regions and independent SOL region simulation have been carried out to study turbulence. In this work, the ``logical sheath boundary condition'' is implemented to study parallel transport in the SOL. This method helps to relax time and spatial steps without resolving electron plasma frequency and Debye length, which enables turbulent transports simulation with sheath effects. We will study collisional and turbulent SOL parallel transport with mirror geometry and sheath boundary condition in C2-W divertor.

Teaching cases on transportation and global warming.

Science.gov (United States)

2013-03-01

This project developed a series of three teaching cases that explore the implications of global : warming for transportation policy in the United States. The cases are intended to be used in : graduate and undergraduate courses on transportation poli...

Acquisition management of the Global Transportation Network

Science.gov (United States)

2001-08-02

This report discusses the acquisition management of the Global transportation Network by the U.S. Transportation Command. This report is one in a series of audit reports addressing DoD acquisition management of information technology systems. The Glo...

CET89 - CHEMICAL EQUILIBRIUM WITH TRANSPORT PROPERTIES, 1989

Science.gov (United States)

Mcbride, B.

1994-01-01

Scientists and engineers need chemical equilibrium composition data to calculate the theoretical thermodynamic properties of a chemical system. This information is essential in the design and analysis of equipment such as compressors, turbines, nozzles, engines, shock tubes, heat exchangers, and chemical processing equipment. The substantial amount of numerical computation required to obtain equilibrium compositions and transport properties for complex chemical systems led scientists at NASA's Lewis Research Center to develop CET89, a program designed to calculate the thermodynamic and transport properties of these systems. CET89 is a general program which will calculate chemical equilibrium compositions and mixture properties for any chemical system with available thermodynamic data. Generally, mixtures may include condensed and gaseous products. CET89 performs the following operations: it 1) obtains chemical equilibrium compositions for assigned thermodynamic states, 2) calculates dilute-gas transport properties of complex chemical mixtures, 3) obtains Chapman-Jouguet detonation properties for gaseous species, 4) calculates incident and reflected shock properties in terms of assigned velocities, and 5) calculates theoretical rocket performance for both equilibrium and frozen compositions during expansion. The rocket performance function allows the option of assuming either a finite area or an infinite area combustor. CET89 accommodates problems involving up to 24 reactants, 20 elements, and 600 products (400 of which may be condensed). The program includes a library of thermodynamic and transport properties in the form of least squares coefficients for possible reaction products. It includes thermodynamic data for over 1300 gaseous and condensed species and transport data for 151 gases. The subroutines UTHERM and UTRAN convert thermodynamic and transport data to unformatted form for faster processing. The program conforms to the FORTRAN 77 standard, except for

The Impact of Uncertainties in African Biomass Burning Emission Estimates on Modeling Global Air Quality, Long Range Transport and Tropospheric Chemical Lifetimes

Directory of Open Access Journals (Sweden)

Guido R. van der Werf

2012-02-01

Full Text Available The chemical composition of the troposphere in the tropics and Southern Hemisphere (SH is significantly influenced by gaseous emissions released from African biomass burning (BB. Here we investigate how various emission estimates given in bottom-up BB inventories (GFEDv2, GFEDv3, AMMABB affect simulations of global tropospheric composition using the TM4 chemistry transport model. The application of various model parameterizations for introducing such emissions is also investigated. There are perturbations in near-surface ozone (O3 and carbon monoxide (CO of ~60–90% in the tropics and ~5–10% in the SH between different inventories. Increasing the update frequency of the temporal distribution to eight days generally results in decreases of between ~5 and 10% in near-surface mixing ratios throughout the tropics, which is larger than the influence of increasing the injection heights at which BB emissions are introduced. There are also associated differences in the long range transport of pollutants throughout the SH, where the composition of the free troposphere in the SH is sensitive to the chosen BB inventory. Analysis of the chemical budget terms reveals that the influence of increasing the tropospheric CO burden due to BB on oxidative capacity of the troposphere is mitigated by the associated increase in NOx emissions (and thus O3 with the variations in the CO/N ratio between inventories being low. For all inventories there is a decrease in the tropospheric chemical lifetime of methane of between 0.4 and 0.8% regardless of the CO emitted from African BB. This has implications for assessing the effect of inter-annual variability in BB on the annual growth rate of methane.

The Global Food System as a Transport Pathway for Hazardous Chemicals: The Missing Link between Emissions and Exposure

OpenAIRE

Ng, Carla A.; von Goetz, Natalie

2016-01-01

Background: Food is a major pathway for human exposure to hazardous chemicals. The modern food system is becoming increasingly complex and globalized, but models for food-borne exposure typically assume locally derived diets or use concentrations directly measured in foods without accounting for food origin. Such approaches may not reflect actual chemical intakes because concentrations depend on food origin, and representative analysis is seldom available. Processing, packaging, storage, and ...

Estimating source-attributable health impacts of ambient fine particulate matter exposure: global premature mortality from surface transportation emissions in 2005

International Nuclear Information System (INIS)

Chambliss, S E; Zeinali, M; Minjares, R; Silva, R; West, J J

2014-01-01

Exposure to ambient fine particular matter (PM 2.5 ) was responsible for 3.2 million premature deaths in 2010 and is among the top ten leading risk factors for early death. Surface transportation is a significant global source of PM 2.5 emissions and a target for new actions. The objective of this study is to estimate the global and national health burden of ambient PM 2.5 exposure attributable to surface transportation emissions. This share of health burden is called the transportation attributable fraction (TAF), and is assumed equal to the proportional decrease in modeled ambient particulate matter concentrations when surface transportation emissions are removed. National population-weighted TAFs for 190 countries are modeled for 2005 using the MOZART-4 global chemical transport model. Changes in annual average concentration of PM 2.5 at 0.5 × 0.67 degree horizontal resolution are based on a global emissions inventory and removal of all surface transportation emissions. Global population-weighted average TAF was 8.5 percent or 1.75 μg m −3 in 2005. Approximately 242 000 annual premature deaths were attributable to surface transportation emissions, dominated by China, the United States, the European Union and India. This application of TAF allows future Global Burden of Disease studies to estimate the sector-specific burden of ambient PM 2.5 exposure. Additional research is needed to capture intraurban variations in emissions and exposure, and to broaden the range of health effects considered, including the effects of other pollutants. (letter)

The development of the globally harmonized system (GHS) of classification and labelling of hazardous chemicals

International Nuclear Information System (INIS)

Winder, Chris; Azzi, Rola; Wagner, Drew

2005-01-01

The hazards of chemicals can be classified using classification criteria that are based on physical, chemical and ecotoxicological endpoints. These criteria may be developed be iteratively, based on scientific or regulatory processes. A number of national and international schemes have been developed over the past 50 years, and some, such as the UN Dangerous Goods system or the EC system for hazardous substances, are in widespread use. However, the unnecessarily complicated multiplicity of existing hazard classifications created much unnecessary confusion at the user level, and a recommendation was made at the 1992 Rio Earth summit to develop a globally harmonized chemical hazard classification and compatible labelling system, including material safety data sheets and easily understandable symbols, that could be used for manufacture, transport, use and disposal of chemical substances. This became the globally harmonized system for the Classification and Labelling of Chemicals (GHS). The developmental phase of the GHS is largely complete. Consistent criteria for categorising chemicals according to their toxic, physical, chemical and ecological hazards are now available. Consistent hazard communication tools such as labelling and material safety data sheets are also close to finalisation. The next phase is implementation of the GHS. The Intergovernmental Forum for Chemical Safety recommends that all countries implement the GHS as soon as possible with a view to have the system fully operational by 2008. When the GHS is in place, the world will finally have one system for classification of chemical hazards

Biosensor discovery of thyroxine transport disrupting chemicals

NARCIS (Netherlands)

Marchesini, G.R.; Meimaridou, A.; Haasnoot, W.; Meulenberg, E.; Albertus, F.; Mizuguchi, M.; Takeuchi, M.; Irth, H.; Murk, A.J.

2008-01-01

Ubiquitous chemicals may interfere with the thyroid system that is essential in the development and physiology of vertebrates. We applied a surface plasmon resonance (SPR) biosensor-based screening method for the fast screening of chemicals with thyroxine (T4) transport disrupting activity. Two

Globalization : the challenge of the 1990s for the chemical industry

International Nuclear Information System (INIS)

Wilcock, D.

1992-01-01

The challenges facing the chemical industry in Canada were discussed. In recent years, Canada has scored low in polls measuring public confidence in the chemical industry. The industry is also suffering from continuing recession, global competition, increased environmental demands and strict legislation. The impact of globalization, total quality management, free trade, environmental concerns, and government policies on the chemical industry were reviewed. In the view of this author (President and CEO of Dow Chemicals) globalization is not a matter of choice, it is an industry imperative. Survival in the globalized economy will require not only to be successful competitors, but even more importantly to be successful cooperators with other stakeholders, and successful in forming partnerships with customers

UTMTOX, Toxic Chemical Transport in Atmosphere, Ground Water, Sediments

International Nuclear Information System (INIS)

1988-01-01

A - Description of program or function: UTMTOX is a unified transport model for toxic materials. It combines hydrologic, atmospheric, and sediment transport in one computer code and extends the scope to predict the transport of not only trace metals but also many chemical compounds, including organics. UTMTOX is capable of calculating 1) the atmospheric dispersion of up to 20 chemicals from a maximum of 10 point, 10 line, and 10 area sources; 2) deposition of one chemical at a time in both wet and dry form on foliage or the surface of the earth; 3) surface flow and erosion; 4) percolation through the soil to a stream channel; and 5) flow in the stream channel to the outfall of a watershed. B - Method of solution: UTMTOX calculates rates of flux of chemicals from release to the atmosphere, through deposition on a watershed, infiltration, and runoff from the soil to flow in the stream channel and the associated sediment transport. From these values, mass balances can be established, budgets for the chemical can be made, and concentrations in many environmental compartments can be estimated. Since the coupling is established among three major submodels, they can share data

Transportation energy in global cities: Sustainable transportation comes in from the cold?

International Nuclear Information System (INIS)

Newman, Peter; Kenworthy, Jeffery

2001-01-01

The energy, environmental and social benefits of sustainable transportation, i.e, public transit, biking and walking, have long been recognized but are now mainstream in global and local transportation policy debates. However, the economic value of sustainable transportation has always been seen as secondary, unless many external costs were included. The results of a new global study show that cities with significant sustainable transportation systems have reduced costs on road construction and maintenance; better operating cost recovery and fuel-efficiency; fewer road accidents and less air pollution. In overall terms, the percentage of city funds going to transportation is reduced. The data show that cities with the most roads have the highest transportation costs and the most rail-oriented cities have the lowest. Further, the most sprawling cities have the highest direct and indirect costs for transportation. Thus, strategies to contain sprawl, to reurbanize, to build new rail systems info car-dependent suburbs with focussed sub-centers, and to facilitate biking and walking, not only will improve energy efficiency but will reduce costs to the economy of a city. Strategies that build freeways and add to sprawl will do the opposite. Trends indicate that moves toward sustainable urban patterns are beginning. The need to operationalize sustainable transportation strategies in planning and engineering practice and in the politics of infrastructure funding remains a major challenge. Some cities are showing how this can be done. (author)

Global Particulate Matter Source Apportionment

Science.gov (United States)

Lamancusa, C.; Wagstrom, K.

2017-12-01

As our global society develops and grows it is necessary to better understand the impacts and nuances of atmospheric chemistry, in particular those associated with atmospheric particulate matter. We have developed a source apportionment scheme for the GEOS-Chem global atmospheric chemical transport model. While these approaches have existed for several years in regional chemical transport models, the Global Particulate Matter Source Apportionment Technology (GPSAT) represents the first incorporation into a global chemical transport model. GPSAT runs in parallel to a standard GEOS-Chem run. GPSAT uses the fact that all molecules of a given species have the same probability of undergoing any given process as a core principle. This allows GPSAT to track many different species using only the flux information provided by GEOS-Chem's many processes. GPSAT accounts for the change in source specific concentrations as a result of aqueous and gas-phase chemistry, horizontal and vertical transport, condensation and evaporation on particulate matter, emissions, and wet and dry deposition. By using fluxes, GPSAT minimizes computational cost by circumventing the computationally costly chemistry and transport solvers. GPSAT will allow researchers to address many pertinent research questions about global particulate matter including the global impact of emissions from different source regions and the climate impacts from different source types and regions. For this first application of GPSAT, we investigate the contribution of the twenty largest urban areas worldwide to global particulate matter concentrations. The species investigated include: ammonium, nitrates, sulfates, and the secondary organic aerosols formed by the oxidation of benzene, isoprene, and terpenes. While GPSAT is not yet publically available, we will incorporate it into a future standard release of GEOS-Chem so that all GEOS-Chem users will have access to this new tool.

Determination of chemical solute transport parameters effecting radiostrontium interbed sediments

International Nuclear Information System (INIS)

Hemming, C.; Bunde, R.L.; Rosentreter, J.J.

1993-01-01

The extent to which radionuclides migrate in an aquifer system is a function of various physical, chemical, and biological processes. A measure of this migration rate is of primary concern when locating suitable storage sites for such species. Parameters including water-rock interactions, infiltration rates, chemical phase modification, and biochemical reactions all affect solute transport. While these different types of chemical reactions can influence solute transport in subsurface waters, distribution coefficients (Kd) can be send to effectively summarize the net chemical factors which dictate transport efficiency. This coefficient describes the partitioning of the solute between the solution and solid phase. Methodology used in determining and interpreting the distribution coefficient for radiostrontium in well characterized sediments will be presented

A global framework to model spatial ecosystems exposure to home and personal care chemicals in Asia.

Science.gov (United States)

Wannaz, Cedric; Franco, Antonio; Kilgallon, John; Hodges, Juliet; Jolliet, Olivier

2018-05-01

This paper analyzes spatially ecosystem exposure to home and personal care (HPC) chemicals, accounting for market data and environmental processes in hydrological water networks, including multi-media fate and transport. We present a global modeling framework built on ScenAT (spatial scenarios of emission), SimpleTreat (sludge treatment plants), and Pangea (spatial multi-scale multimedia fate and transport of chemicals), that we apply across Asia to four chemicals selected to cover a variety of applications, volumes of production and emission, and physico-chemical and environmental fate properties: the anionic surfactant linear alkylbenzene sulphonate (LAS), the antimicrobial triclosan (TCS), the personal care preservative methyl paraben (MeP), and the emollient decamethylcyclopentasiloxane (D5). We present maps of predicted environmental concentrations (PECs) and compare them with monitored values. LAS emission levels and PECs are two to three orders of magnitude greater than for other substances, yet the literature about monitored levels of LAS in Asia is very limited. We observe a good agreement for TCS in freshwater (Pearson r=0.82, for 253 monitored values covering 12 streams), a moderate agreement in general, and a significant model underestimation for MeP in sediments. While most differences could be explained by uncertainty in both chemical/hydrological parameters (DT50 water , DT50 sediments , K oc , f oc , TSS) and monitoring sites (e.g. spatial/temporal design), the underestimation of MeP concentrations in sediments may involve potential natural sources. We illustrate the relevance of local evaluations for short-lived substances in fresh water (LAS, MeP), and their inadequacy for substances with longer half-lives (TCS, D5). This framework constitutes a milestone towards higher tier exposure modeling approaches for identifying areas of higher chemical concentration, and linking large-scale fate modeling with (sub) catchment-scale ecological scenarios; a

Chemical controls on subsurface radionuclide transport

International Nuclear Information System (INIS)

King, K.J.; Killey, R.W.D.

1990-01-01

Chemical and biochemical processes can affect the movement of contaminants in groundwater. Materials can be almost completely removed from circulation by processes such as precipitation and coprecipitation. Organic compounds or contaminants that are hazardous may be degraded or formed during groundwater transport. Studies at the Chalk River Laboratories of AECL have focused on radionuclide transport, although other contaminants have been and are being investigated. This paper summarizes findings from research that extends back more than 30 years. Much of the work on reactive contaminant transport has centered on 90 Sr; other contaminants have also been considered, however, and features of their behaviour are also reviewed. (25 refs., 5 figs., 4 tabs.)

Fundamental aspects of plasma chemical physics transport

CERN Document Server

Capitelli, Mario; Laricchiuta, Annarita

2013-01-01

Fundamental Aspects of Plasma Chemical Physics: Tranpsort develops basic and advanced concepts of plasma transport to the modern treatment of the Chapman-Enskog method for the solution of the Boltzmann transport equation. The book invites the reader to consider actual problems of the transport of thermal plasmas with particular attention to the derivation of diffusion- and viscosity-type transport cross sections, stressing the role of resonant charge-exchange processes in affecting the diffusion-type collision calculation of viscosity-type collision integrals. A wide range of topics is then discussed including (1) the effect of non-equilibrium vibrational distributions on the transport of vibrational energy, (2) the role of electronically excited states in the transport properties of thermal plasmas, (3) the dependence of transport properties on the multitude of Saha equations for multi-temperature plasmas, and (4) the effect of the magnetic field on transport properties. Throughout the book, worked examples ...

Compendium of NASA Data Base for the Global Tropospheric Experiment's Transport and Chemical Evolution Over the Pacific (TRACE-P). Volume 1; DC-8

Science.gov (United States)

Kleb, Mary M.; Scott, A. Donald, Jr.

2003-01-01

This report provides a compendium of NASA aircraft data that are available from NASA's Global Tropospheric Experiment's (GTE) Transport and Chemical Evolution over the Pacific (TRACE-P) Mission. The broad goal of TRACE-P was to characterize the transit and evolution of the Asian outflow over the western Pacific. Conducted from February 24 through April 10, 2001, TRACE-P integrated airborne, satellite- and ground-based observations, as well as forecasts from aerosol and chemistry models. The format of this compendium utilizes data plots (time series) of selected data acquired aboard the NASA/Dryden DC-8 (vol. 1) and NASA/Wallops P-3B (vol. 2) aircraft during TRACE-P. The purpose of this document is to provide a representation of aircraft data that are available in archived format via NASA Langley s Distributed Active Archive Center (DAAC) and through the GTE Project Office archive. The data format is not intended to support original research/analyses, but to assist the reader in identifying data that are of interest.

Biofuels in the long-run global energy supply mix for transportation.

Science.gov (United States)

Timilsina, Govinda R

2014-01-13

Various policy instruments along with increasing oil prices have contributed to a sixfold increase in global biofuels production over the last decade (2000-2010). This rapid growth has proved controversial, however, and has raised concerns over potential conflicts with global food security and climate change mitigation. To address these concerns, policy support is now focused on advanced or second-generation biofuels instead of crop-based first-generation biofuels. This policy shift, together with the global financial crisis, has slowed the growth of biofuels production, which has remained stagnant since 2010. Based upon a review of the literature, this paper examines the potential long-run contribution of biofuels to the global energy mix, particularly for transportation. We find that the contribution of biofuels to global transportation fuel demand is likely to be limited to around 5% over the next 10-15 years. However, a number of studies suggest that biofuels could contribute up to a quarter of global transportation fuel demand by 2050, provided technological breakthroughs reduce the costs of sustainably produced advanced biofuels to a level where they can compete with petroleum fuels.

Forecasting global developments in the basic chemical industry for environmental policy analysis

International Nuclear Information System (INIS)

Broeren, M.L.M.; Saygin, D.; Patel, M.K.

2014-01-01

The chemical sector is the largest industrial energy user, but detailed analysis of its energy use developments lags behind other energy-intensive sectors. A cost-driven forecasting model for basic chemicals production is developed, accounting for regional production costs, demand growth and stock turnover. The model determines the global production capacity placement, implementation of energy-efficient Best Practice Technology (BPT) and global carbon dioxide (CO 2 ) emissions for the period 2010–2030. Subsequently, the effects of energy and climate policies on these parameters are quantified. About 60% of new basic chemical production capacity is projected to be placed in non-OECD regions by 2030 due to low energy prices. While global production increases by 80% between 2010 and 2030, the OECD's production capacity share decreases from 40% to 20% and global emissions increase by 50%. Energy pricing and climate policies are found to reduce 2030 CO 2 emissions by 5–15% relative to the baseline developments by increasing BPT implementation. Maximum BPT implementation results in a 25% reduction. Further emission reductions require measures beyond energy-efficient technologies. The model is useful to estimate general trends related to basic chemicals production, but improved data from the chemical sector is required to expand the analysis to additional technologies and chemicals. - Highlights: • We develop a global cost-driven forecasting model for the basic chemical sector. • We study regional production, energy-efficient technology, emissions and policies. • Between 2010 and 2030, 60% of new chemicals capacity is built in non-OECD regions. • Global CO 2 emissions rise by 50%, but climate policies may limit this to 30–40%. • Measures beyond energy efficiency are needed to prevent increasing CO 2 emissions

Potential for Intermodal Transport of Chemical Goods in Slovakia

Directory of Open Access Journals (Sweden)

Jagelčák Juraj

2017-01-01

Full Text Available This article deals with intermodal transport of chemical goods in Slovak republic. Analysis is based on information from interviews with companies and logistics service providers. The first part of the article describes importance of Intermodal transport and basic transport routes for intermodal transport. Respondents considered advantages and disadvantages of intermodal transport. Possible improvements inside companies and improvements of external framework conditions to promote modal shift are described in the second part of the paper.

Global climate-oriented transportation scenarios

International Nuclear Information System (INIS)

Harvey, L.D.D.

2013-01-01

This paper develops scenarios whereby CO 2 emissions from the transportation sector are eliminated worldwide by the end of this century. Data concerning the energy intensity and utilization of different passenger and freight transportation modes in 2005, and per capita income, in 10 different socio-economic regions of the world are combined with scenarios of population and per capita GDP to generate scenarios of future transportation energy demand. The impact of various technical options (improvements in the energy intensity of all transportation modes, changes in the proportions of vehicles with different drive trains, and a shift to biomass or hydrogen for the non-electricity energy requirements) and behavioural options (a shift to less energy-intensive LDV market segments, a reduction in total passenger-km of travel per capita, and an increase in the share of less energy-intensive passenger and freight modes of transport) is assessed. To eliminate transportation fossil fuel emissions within this century while limiting the demand for electricity, biofuels or hydrogen to manageable levels requires the simultaneous application of all the technical and behavioural measures considered here, with improvements in vehicle efficiencies and a shift to plug-in hybrid and battery-electric drive trains for light duty vehicles being the most important measures. - Highlights: ► Scenarios are developed whereby transportation CO 2 emissions reach zero by 2100. ► These scenarios address concerns about peak oil and global warming. ► A comprehensive mix of technical and behavioural changes is considered in 10 world regions. ► Efficiency improvements and a shift to plug-in hybrid vehicles are the most important measures

An Inverse Analysis Approach to the Characterization of Chemical Transport in Paints

Science.gov (United States)

Willis, Matthew P.; Stevenson, Shawn M.; Pearl, Thomas P.; Mantooth, Brent A.

2014-01-01

The ability to directly characterize chemical transport and interactions that occur within a material (i.e., subsurface dynamics) is a vital component in understanding contaminant mass transport and the ability to decontaminate materials. If a material is contaminated, over time, the transport of highly toxic chemicals (such as chemical warfare agent species) out of the material can result in vapor exposure or transfer to the skin, which can result in percutaneous exposure to personnel who interact with the material. Due to the high toxicity of chemical warfare agents, the release of trace chemical quantities is of significant concern. Mapping subsurface concentration distribution and transport characteristics of absorbed agents enables exposure hazards to be assessed in untested conditions. Furthermore, these tools can be used to characterize subsurface reaction dynamics to ultimately design improved decontaminants or decontamination procedures. To achieve this goal, an inverse analysis mass transport modeling approach was developed that utilizes time-resolved mass spectroscopy measurements of vapor emission from contaminated paint coatings as the input parameter for calculation of subsurface concentration profiles. Details are provided on sample preparation, including contaminant and material handling, the application of mass spectrometry for the measurement of emitted contaminant vapor, and the implementation of inverse analysis using a physics-based diffusion model to determine transport properties of live chemical warfare agents including distilled mustard (HD) and the nerve agent VX. PMID:25226346

Global transportation scenarios in the multi-regional EFDA-TIMES energy model

International Nuclear Information System (INIS)

Muehlich, P.; Hamacher, T.

2009-01-01

The aim of this study is to assess the potential impact of the transportation sector on the role of fusion power in the energy system of the 21st century. Key indicators in this context are global passenger and freight transportation activities, consumption levels of fuels used for transportation purposes, the electricity generation mix and greenhouse gas emissions. These quantities are calculated by means of the global multi-regional EFDA-TIMES energy system model. For the present study a new transportation module has been linked to the EFDA-TIMES framework in order to arrive at a consistent projection of future transportation demands. Results are discussed implying various global energy scenarios including assumed crossovers of road transportation activities towards hydrogen or electricity infrastructures and atmospheric CO 2 concentration stabilization levels at 550 ppm and 450 ppm. Our results show that the penetration of fusion power plants is only slightly sensitive to transportation fuel choices but depends strongly on assumed climate policies. In the most stringent case considered here the contribution of electricity produced by fusion power plants can become as large as about 50% at the end of the 21st century. This statement, however, is still of preliminary nature as the EFDA-TIMES project has not yet reached a final status.

Compendium of NASA Data Base for the Global Tropospheric Experiment's Transport and Chemical Evolution Over the Pacific (TRACE-P). Volume 2; P-3B

Science.gov (United States)

Kleb, Mary M.; Scott, A. Donald, Jr.

2003-01-01

This report provides a compendium of NASA aircraft data that are available from NASA's Global Tropospheric Experiment's (GTE) Transport and Chemical Evolution over the Pacific (TRACE-P) Mission. The broad goal of TRACE-P was to characterize the transit and evolution of the Asian outflow over the western Pacific. Conducted from February 24 through April 10, 2001, TRACE-P integrated airborne, satellite- and ground based observations, as well as forecasts from aerosol and chemistry models. The format of this compendium utilizes data plots (time series) of selected data acquired aboard the NASA/Dryden DC-8 (vol. 1) and NASA/Wallops P-3B (vol. 2) aircraft during TRACE-P. The purpose of this document is to provide a representation of aircraft data that are available in archived format via NASA Langley's Distributed Active Archive Center (DAAC) and through the GTE Project Office archive. The data format is not intended to support original research/analyses, but to assist the reader in identifying data that are of interest.

Space Geodesy Monitoring Mass Transport in Global Geophysical Fluids

Science.gov (United States)

Chao, Benjamin F.

2004-01-01

Mass transports occurring in the atmosphere-hydrosphere-cryosphere-solid Earth-core system (the 'global geophysical fluids') are important geophysical phenomena. They occur on all temporal and spatial scales. Examples include air mass and ocean circulations, oceanic and solid tides, hydrological water and idsnow redistribution, mantle processes such as post-glacial rebound, earthquakes and tectonic motions, and core geodynamo activities. The temporal history and spatial pattern of such mass transport are often not amenable to direct observations. Space geodesy techniques, however, have proven to be an effective tool in monitorihg certain direct consequences of the mass transport, including Earth's rotation variations, gravitational field variations, and the geocenter motion. Considerable advances have been made in recent years in observing and understanding of these geodynamic effects. This paper will use several prominent examples to illustrate the triumphs in research over the past years under a 'Moore's law' in space geodesy. New space missions and projects promise to further advance our knowledge about the global mass transports. The latter contributes to our understanding of the geophysical processes that produce and regulate the mass transports, as well as of the solid Earth's response to such changes in terms of Earth's mechanical properties.

Mapping Global Flows of Chemicals: From Fossil Fuel Feedstocks to Chemical Products.

Science.gov (United States)

Levi, Peter G; Cullen, Jonathan M

2018-02-20

Chemical products are ubiquitous in modern society. The chemical sector is the largest industrial energy consumer and the third largest industrial emitter of carbon dioxide. The current portfolio of mitigation options for the chemical sector emphasizes upstream "supply side" solutions, whereas downstream mitigation options, such as material efficiency, are given comparatively short shrift. Key reasons for this are the scarcity of data on the sector's material flows, and the highly intertwined nature of its complex supply chains. We provide the most up to date, comprehensive and transparent data set available publicly, on virgin production routes in the chemical sector: from fossil fuel feedstocks to chemical products. We map global mass flows for the year 2013 through a complex network of transformation processes, and by taking account of secondary reactants and by-products, we maintain a full mass balance throughout. The resulting data set partially addresses the dearth of publicly available information on the chemical sector's supply chain, and can be used to prioritise downstream mitigation options.

Toward a comprehensive model of chemical transport in porous media

International Nuclear Information System (INIS)

Miller, C.W.

1983-02-01

A chemical transport model, CHEMTRN, that includes advection, dispersion/diffusion, complexation, sorption, precipitation or dissolution of solids, and the dissociation of water has been written. The transport, mass action and site constraint equations are written in a differential/algebraic form and solved simultaneously. The sorption process is modelled by either ion-exchange or surface complexation. The model has been used to investigate the applicability of a k/sub D/ model for simulating the transport of chemical species in groundwater systems, to simulate precipitation/dissolution of minerals, and to consider the effect of surface complexation on sorption

Optimal estimation of the surface fluxes of methyl chloride using a 3-D global chemical transport model

Directory of Open Access Journals (Sweden)

X. Xiao

2010-06-01

Full Text Available Methyl chloride (CH₃Cl is a chlorine-containing trace gas in the atmosphere contributing significantly to stratospheric ozone depletion. Large uncertainties in estimates of its source and sink magnitudes and temporal and spatial variations currently exist. GEIA inventories and other bottom-up emission estimates are used to construct a priori maps of the surface fluxes of CH₃Cl. The Model of Atmospheric Transport and Chemistry (MATCH, driven by NCEP interannually varying meteorological data, is then used to simulate CH₃Cl mole fractions and quantify the time series of sensitivities of the mole fractions at each measurement site to the surface fluxes of various regional and global sources and sinks. We then implement the Kalman filter (with the unit pulse response method to estimate the surface fluxes on regional/global scales with monthly resolution from January 2000 to December 2004. High frequency observations from the AGAGE, SOGE, NIES, and NOAA/ESRL HATS in situ networks and low frequency observations from the NOAA/ESRL HATS flask network are used to constrain the source and sink magnitudes. The inversion results indicate global total emissions around 4100 ± 470 Gg yr⁻¹ with very large emissions of 2200 ± 390 Gg yr⁻¹ from tropical plants, which turn out to be the largest single source in the CH₃Cl budget. Relative to their a priori annual estimates, the inversion increases global annual fungal and tropical emissions, and reduces the global oceanic source. The inversion implies greater seasonal and interannual oscillations of the natural sources and sink of CH₃Cl compared to the a priori. The inversion also reflects the strong effects of the 2002/2003 globally widespread heat waves and droughts on global emissions from tropical plants, biomass burning and salt marshes, and on the soil sink.

Hazard Assessment on Chlorine Distribution Use of Chemical Transportation Risk Index

International Nuclear Information System (INIS)

Kim, Jeong Gon; Byun, Hun Soo

2014-01-01

Chlorine is one of the most produced and most used non-flammable chemical substances in the world even though its toxicity and high reactivity cause the ozone layer depletion. However, in modern life, it is impossible to live a good life without using Chlorine and its derivatives since they are being used as an typical ingredient in more than 40 percent of the manufactured goods including medicines, detergents, deodorant, fungicides, herbicides, insecticides, and plastic, etc. Even if Chlorine has been handled and distributed in various business (small and medium-sized businesses, water purification plants, distribution company, etc.), there have been few researches about its possible health hazard and transportation risks. Accordingly, the purpose of this paper is to make a detailed assessment of Chlorinerelated risks and to model an index of chemicals transportation risks that is adequate for domestic circumstances. The assessment of possible health hazard and transportation risks was made on 13 kinds of hazardous chemicals, including liquid chlorine. This research may be contributed to standardizing the risk assessment of Chlorine and other hazardous chemicals by using an index of transportation risks

Hazard Assessment on Chlorine Distribution Use of Chemical Transportation Risk Index

Energy Technology Data Exchange (ETDEWEB)

Kim, Jeong Gon [Hanwha Chemical Ulsan Site, Ulsan (Korea, Republic of); Byun, Hun Soo [Chonnam National University, Yeosu (Korea, Republic of)

2014-12-15

Chlorine is one of the most produced and most used non-flammable chemical substances in the world even though its toxicity and high reactivity cause the ozone layer depletion. However, in modern life, it is impossible to live a good life without using Chlorine and its derivatives since they are being used as an typical ingredient in more than 40 percent of the manufactured goods including medicines, detergents, deodorant, fungicides, herbicides, insecticides, and plastic, etc. Even if Chlorine has been handled and distributed in various business (small and medium-sized businesses, water purification plants, distribution company, etc.), there have been few researches about its possible health hazard and transportation risks. Accordingly, the purpose of this paper is to make a detailed assessment of Chlorinerelated risks and to model an index of chemicals transportation risks that is adequate for domestic circumstances. The assessment of possible health hazard and transportation risks was made on 13 kinds of hazardous chemicals, including liquid chlorine. This research may be contributed to standardizing the risk assessment of Chlorine and other hazardous chemicals by using an index of transportation risks.

Coupling between solute transport and chemical reactions models. Acoplamiento de modelos de transporte de solutos y de modelos de reacciones quimicas

Energy Technology Data Exchange (ETDEWEB)

Samper, J.; Ajora, C. (Instituto de Ciencias de la Tierra, CSIC, Barcerlona (Spain))

1993-01-01

During subsurface transport, reactive solutes are subject to a variety of hydrodynamic and chemical processes. The major hydrodynamic processes include advection and convection, dispersion and diffusion. The key chemical processes are complexation including hydrolysis and acid-base reactions, dissolution-precipitation, reduction-oxidation, adsorption and ion exchange. The combined effects of all these processes on solute transport must satisfy the principle of conservation of mass. The statement of conservation of mass for N mobile species leads to N partial differential equations. Traditional solute transport models often incorporate the effects of hydrodynamic processes rigorously but oversimplify chemical interactions among aqueous species. Sophisticated chemical equilibrium models, on the other hand, incorporate a variety of chemical processes but generally assume no-flow systems. In the past decade, coupled models accounting for complex hydrological and chemical processes, with varying degrees of sophistication, have been developed. The existing models of reactive transport employ two basic sets of equations. The transport of solutes is described by a set of partial differential equations, and the chemical processes, under the assumption of equilibrium, are described by a set of nonlinear algebraic equations. An important consideration in any approach is the choice of primary dependent variables. Most existing models cannot account for the complete set of chemical processes, cannot be easily extended to include mixed chemical equilibria and kinetics, and cannot handle practical two and three dimensional problems. The difficulties arise mainly from improper selection of the primary variables in the transport equations. (Author) 38 refs.

Ballistic transport in graphene grown by chemical vapor deposition

NARCIS (Netherlands)

Calado, V.E.; Zhu, S.E.; Goswami, S.; Xu, Q.; Watanabe, K.; Taniguchi, T.; Janssen, G.C.A.M.; Vandersypen, L.M.K.

2014-01-01

In this letter, we report the observation of ballistic transport on micron length scales in graphene synthesised by chemical vapour deposition (CVD). Transport measurements were done on Hall bar geometries in a liquid He cryostat. Using non-local measurements, we show that electrons can be

Production and global transport of Titan's sand particles

Science.gov (United States)

Barnes, Jason W.; Lorenz, Ralph D.; Radebaugh, Jani; Hayes, Alexander G.; Arnold, Karl; Chandler, Clayton

2015-06-01

Previous authors have suggested that Titan's individual sand particles form by either sintering or by lithification and erosion. We suggest two new mechanisms for the production of Titan's organic sand particles that would occur within bodies of liquid: flocculation and evaporitic precipitation. Such production mechanisms would suggest discrete sand sources in dry lakebeds. We search for such sources, but find no convincing candidates with the present Cassini Visual and Infrared Mapping Spectrometer coverage. As a result we propose that Titan's equatorial dunes may represent a single, global sand sea with west-to-east transport providing sources and sinks for sand in each interconnected basin. The sand might then be transported around Xanadu by fast-moving Barchan dune chains and/or fluvial transport in transient riverbeds. A river at the Xanadu/Shangri-La border could explain the sharp edge of the sand sea there, much like the Kuiseb River stops the Namib Sand Sea in southwest Africa on Earth. Future missions could use the composition of Titan's sands to constrain the global hydrocarbon cycle.

Effects of coupled thermal, hydrological and chemical processes on nuclide transport

International Nuclear Information System (INIS)

Carnahan, C.L.

1987-03-01

Coupled thermal, hydrological and chemical processes can be classified in two categories. One category consists of the ''Onsager'' type of processes driven by gradients of thermodynamic state variables. These processes occur simultaneously with the direct transport processes. In particular, thermal osmosis, chemical osmosis and ultrafiltration may be prominent in semipermeable materials such as clays. The other category consists of processes affected indirectly by magnitudes of thermodynamic state variables. An important example of this category is the effect of temperature on rates of chemical reactions and chemical equilibria. Coupled processes in both categories may affect transport of radionuclides. Although computational models of limited extent have been constructed, there exists no model that accounts for the full set of THC-coupled processes. In the category of Onsager coupled processes, further model development and testing is severely constrained by a deficient data base of phenomenological coefficients. In the second category, the lack of a general description of effects of heterogeneous chemical reactions on permeability of porous media inhibits progress in quantitative modeling of hydrochemically coupled transport processes. Until fundamental data necessary for further model development have been acquired, validation efforts will be limited necessarily to testing of incomplete models of nuclide transport under closely controlled experimental conditions. 34 refs., 2 tabs

Towards electron transport measurements in chemically modified graphene: effect of a solvent

Energy Technology Data Exchange (ETDEWEB)

Jacobsen, Arnhild; Ensslin, Klaus [Solid State Physics Laboratory, ETH Zurich (Switzerland); Koehler, Fabian M; Stark, Wendelin J, E-mail: arnhildj@phys.ethz.ch, E-mail: fabian.koehler@chem.ethz.ch [Institute for Chemical and Bioengineering, ETH Zurich (Switzerland)

2010-12-15

The chemical functionalization of graphene modifies the local electron density of carbon atoms and hence electron transport. Measuring these changes allows for a closer understanding of the chemical interaction and the influence of functionalization on the graphene lattice. However, not only chemistry, in this case diazonium chemistry, has an effect on electron transport. The latter is also influenced by defects and dopants resulting from different processing steps. Here, we show that the solvents used in the chemical reaction process change the transport properties. In more detail, the investigated combination of isopropanol and heating treatment reduces the doping concentration and significantly increases the mobility of graphene. Furthermore, isopropanol treatment alone increases the concentration of dopants and introduces an asymmetry between electron and hole transport, which might be difficult to distinguish from the effect of functionalization. The results shown in this work demand a closer look at the influence of solvents used for chemical modification in order to understand their influence.

Towards electron transport measurements in chemically modified graphene: effect of a solvent

International Nuclear Information System (INIS)

Jacobsen, Arnhild; Ensslin, Klaus; Koehler, Fabian M; Stark, Wendelin J

2010-01-01

The chemical functionalization of graphene modifies the local electron density of carbon atoms and hence electron transport. Measuring these changes allows for a closer understanding of the chemical interaction and the influence of functionalization on the graphene lattice. However, not only chemistry, in this case diazonium chemistry, has an effect on electron transport. The latter is also influenced by defects and dopants resulting from different processing steps. Here, we show that the solvents used in the chemical reaction process change the transport properties. In more detail, the investigated combination of isopropanol and heating treatment reduces the doping concentration and significantly increases the mobility of graphene. Furthermore, isopropanol treatment alone increases the concentration of dopants and introduces an asymmetry between electron and hole transport, which might be difficult to distinguish from the effect of functionalization. The results shown in this work demand a closer look at the influence of solvents used for chemical modification in order to understand their influence.

Predicting soil formation on the basis of transport-limited chemical weathering

Science.gov (United States)

Yu, Fang; Hunt, Allen Gerhard

2018-01-01

Soil production is closely related to chemical weathering. It has been shown that, under the assumption that chemical weathering is limited by solute transport, the process of soil production is predictable. However, solute transport in soil cannot be described by Gaussian transport. In this paper, we propose an approach based on percolation theory describing non-Gaussian transport of solute to predict soil formation (the net production of soil) by considering both soil production from chemical weathering and removal of soil from erosion. Our prediction shows agreement with observed soil depths in the field. Theoretical soil formation rates are also compared with published rates predicted using soil age-profile thickness (SAST) method. Our formulation can be incorporated directly into landscape evolution models on a point-to-point basis as long as such models account for surface water routing associated with overland flow. Further, our treatment can be scaled-up to address complications associated with continental-scale applications, including those from climate change, such as changes in vegetation, or surface flow organization. The ability to predict soil formation rates has implications for understanding Earth's climate system on account of the relationship to chemical weathering of silicate minerals with the associated drawdown of atmospheric carbon, but it is also important in geomorphology for understanding landscape evolution, including for example, the shapes of hillslopes, and the net transport of sediments to sedimentary basins.

Global fate of POPs: Current and future research directions

International Nuclear Information System (INIS)

Lohmann, Rainer; Breivik, Knut; Dachs, Jordi; Muir, Derek

2007-01-01

For legacy and emerging persistent organic pollutants (POPs), surprisingly little is still known in quantitative terms about their global sources and emissions. Atmospheric transport has been identified as the key global dispersal mechanism for most legacy POPs. In contrast, transport by ocean currents may prove to be the main transport route for many polar, emerging POPs. This is linked to the POPs' intrinsic physico-chemical properties, as exemplified by the different fate of hexachlorocyclohexanes in the Arctic. Similarly, our current understanding of POPs' global transport and fate remains sketchy. The importance of organic carbon and global temperature differences have been accepted as key drivers of POPs' global distribution. However, future research will need to understand the various biogeochemical and geophysical cycles under anthropogenic pressures to be able to understand and predict the global fate of POPs accurately. - Future studies into the global fate of POPs will need to pay more attention to the various biogeochemical and anthropogenic cycles to better understand emissions, transport and sinks

Drug Transport and Pharmacokinetics for Chemical Engineers

Science.gov (United States)

Simon, Laurent; Kanneganti, Kumud; Kim, Kwang Seok

2010-01-01

Experiments in continuous-stirred vessels were proposed to introduce methods in pharmacokinetics and drug transport to chemical engineering students. The activities can be incorporated into the curriculum to illustrate fundamentals learned in the classroom. An appreciation for the role of pharmacokinetics in drug discovery will also be gained…

Transport Properties of a Kinetic Model for Chemical Reactions without Barriers

International Nuclear Information System (INIS)

Alves, Giselle M.; Kremer, Gilberto M.; Soares, Ana Jacinta

2011-01-01

A kinetic model of the Boltzmann equation for chemical reactions without energy barrier is considered here with the aim of evaluating the reaction rate and characterizing the transport coefficient of shear viscosity for the reactive system. The Chapman-Enskog solution of the Boltzmann equation is used to compute the chemical reaction effects, in a flow regime for which the reaction process is close to the final equilibrium state. Some numerical results are provided illustrating that the considered chemical reaction without energy barrier can induce an appreciable influence on the reaction rate and on the transport coefficient of shear viscosity.

Thermodynamic and transport properties of gaseous tetrafluoromethane in chemical equilibrium

Science.gov (United States)

Hunt, J. L.; Boney, L. R.

1973-01-01

Equations and in computer code are presented for the thermodynamic and transport properties of gaseous, undissociated tetrafluoromethane (CF4) in chemical equilibrium. The computer code calculates the thermodynamic and transport properties of CF4 when given any two of five thermodynamic variables (entropy, temperature, volume, pressure, and enthalpy). Equilibrium thermodynamic and transport property data are tabulated and pressure-enthalpy diagrams are presented.

The critical role of ocean container transport in global supply chain performance

NARCIS (Netherlands)

Fransoo, J.C.; Lee, C.Y.

2013-01-01

With supply chains distributed across global markets, ocean container transport now is a critical element of any such supply chain. We identify key characteristics of ocean container transport from a supply chain perspective. We find that unlike continental (road) transport, service offerings tend

China's transportation energy consumption and CO2 emissions from a global perspective

International Nuclear Information System (INIS)

Yin, Xiang; Chen, Wenying; Eom, Jiyong; Clarke, Leon E.; Kim, Son H.; Patel, Pralit L.; Yu, Sha; Kyle, G. Page

2015-01-01

Rapidly growing energy demand from China's transportation sector in the last two decades have raised concerns over national energy security, local air pollution, and carbon dioxide (CO 2 ) emissions, and there is broad consensus that China's transportation sector will continue to grow in the coming decades. This paper explores the future development of China's transportation sector in terms of service demands, final energy consumption, and CO 2 emissions, and their interactions with global climate policy. This study develops a detailed China transportation energy model that is nested in an integrated assessment model—Global Change Assessment Model (GCAM)—to evaluate the long-term energy consumption and CO 2 emissions of China's transportation sector from a global perspective. The analysis suggests that, without major policy intervention, future transportation energy consumption and CO 2 emissions will continue to rapidly increase and the transportation sector will remain heavily reliant on fossil fuels. Although carbon price policies may significantly reduce the sector's energy consumption and CO 2 emissions, the associated changes in service demands and modal split will be modest, particularly in the passenger transport sector. The analysis also suggests that it is more difficult to decarbonize the transportation sector than other sectors of the economy, primarily owing to its heavy reliance on petroleum products. -- Highlights: •Transport sector in China are analyzed from a global perspective. •Passenger transport turnover reduction and modal shifts is less sensitive to carbon price. •Bio-fuel, electricity and H 2 will play an important role for carbon mitigation in transport sector. •The transport sector is more difficult to decarbonize than other sectors

Global reactive nitrogen deposition from lightning NOx

NARCIS (Netherlands)

Shepon, A.; Gildor, H.; Labrador, L.J.; Butler, T.; Ganzeveld, L.N.; Lawrence, M.G.

2007-01-01

We present results of the deposition of nitrogen compounds formed from lightning (LNO x ) using the global chemical transport Model of Atmospheric Transport and Chemistry¿Max Planck Institute for Chemistry version. The model indicates an approximately equal deposition of LNO x in both terrestrial

Ballistic transport in graphene grown by chemical vapor deposition

International Nuclear Information System (INIS)

Calado, V. E.; Goswami, S.; Xu, Q.; Vandersypen, L. M. K.; Zhu, Shou-En; Janssen, G. C. A. M.; Watanabe, K.; Taniguchi, T.

2014-01-01

In this letter, we report the observation of ballistic transport on micron length scales in graphene synthesised by chemical vapour deposition (CVD). Transport measurements were done on Hall bar geometries in a liquid He cryostat. Using non-local measurements, we show that electrons can be ballistically directed by a magnetic field (transverse magnetic focussing) over length scales of ∼1 μm. Comparison with atomic force microscope measurements suggests a correlation between the absence of wrinkles and the presence of ballistic transport in CVD graphene

Ballistic transport in graphene grown by chemical vapor deposition

Energy Technology Data Exchange (ETDEWEB)

Calado, V. E.; Goswami, S.; Xu, Q.; Vandersypen, L. M. K., E-mail: l.m.k.vandersypen@tudelft.nl [Kavli Institute of Nanoscience, Delft University of Technology, 2600 GA Delft (Netherlands); Zhu, Shou-En; Janssen, G. C. A. M. [Micro and Nano Engineering Laboratory, Precision and Microsystems Engineering, Delft University of Technology, 2628 CD Delft (Netherlands); Watanabe, K.; Taniguchi, T. [Advanced Materials Laboratory, National Institute for Materials Science, 1-1 Namiki, Tsukuba 305-0044 (Japan)

2014-01-13

In this letter, we report the observation of ballistic transport on micron length scales in graphene synthesised by chemical vapour deposition (CVD). Transport measurements were done on Hall bar geometries in a liquid He cryostat. Using non-local measurements, we show that electrons can be ballistically directed by a magnetic field (transverse magnetic focussing) over length scales of ∼1 μm. Comparison with atomic force microscope measurements suggests a correlation between the absence of wrinkles and the presence of ballistic transport in CVD graphene.

Evaluation of cloud convection and tracer transport in a three-dimensional chemical transport model

Directory of Open Access Journals (Sweden)

W. Feng

2011-06-01

Full Text Available We investigate the performance of cloud convection and tracer transport in a global off-line 3-D chemical transport model. Various model simulations are performed using different meteorological (reanalyses (ERA-40, ECMWF operational and ECMWF Interim to diagnose the updraft mass flux, convective precipitation and cloud top height.

The diagnosed upward mass flux distribution from TOMCAT agrees quite well with the ECMWF reanalysis data (ERA-40 and ERA-Interim below 200 hPa. Inclusion of midlevel convection improves the agreement at mid-high latitudes. However, the reanalyses show strong convective transport up to 100 hPa, well into the tropical tropopause layer (TTL, which is not captured by TOMCAT. Similarly, the model captures the spatial and seasonal variation of convective cloud top height although the mean modelled value is about 2 km lower than observed.

The ERA-Interim reanalyses have smaller archived upward convective mass fluxes than ERA-40, and smaller convective precipitation, which is in better agreement with satellite-based data. TOMCAT captures these relative differences when diagnosing convection from the large-scale fields. The model also shows differences in diagnosed convection with the version of the operational analyses used, which cautions against using results of the model from one specific time period as a general evaluation.

We have tested the effect of resolution on the diagnosed modelled convection with simulations ranging from 5.6° × 5.6° to 1° × 1°. Overall, in the off-line model, the higher model resolution gives stronger vertical tracer transport, however, it does not make a large change to the diagnosed convective updraft mass flux (i.e., the model results using the convection scheme fail to capture the strong convection transport up to 100 hPa as seen in the archived convective mass fluxes. Similarly, the resolution of the forcing winds in the higher resolution CTM does not make a

A Coupled Chemical and Mass Transport Model for Concrete Durability

DEFF Research Database (Denmark)

Jensen, Mads Mønster; Johannesson, Björn; Geiker, Mette Rica

2012-01-01

In this paper a general continuum theory is used to evaluate the service life of cement based materials, in terms of mass transport processes and chemical degradation of the solid matrix. The model established is a reactive mass transport model, based on an extended version of the Poisson-Nernst-...

Global fate of POPs: Current and future research directions

Energy Technology Data Exchange (ETDEWEB)

Lohmann, Rainer [Graduate School of Oceanography, University of Rhode Island, Narragansett, RI 02882-1197 (United States)], E-mail: lohmann@gso.uri.edu; Breivik, Knut [Norwegian Institute for Air Research, PO Box 100, NO-2027 Kjeller (Norway); University of Oslo, Department of Chemistry, PO Box 1033, NO-0315 Oslo (Norway); Dachs, Jordi [Department of Environmental Chemistry, Institute of Chemical and Environmental Research (IIQAB-CSIC), Jordi Girona 18-26, Barcelona 08034 (Spain); Muir, Derek [Aquatic Ecosystem Protection Research Division, Environment Canada, 867 Lakeshore Road, Burlington, ON L7R4A6 (Canada)

2007-11-15

For legacy and emerging persistent organic pollutants (POPs), surprisingly little is still known in quantitative terms about their global sources and emissions. Atmospheric transport has been identified as the key global dispersal mechanism for most legacy POPs. In contrast, transport by ocean currents may prove to be the main transport route for many polar, emerging POPs. This is linked to the POPs' intrinsic physico-chemical properties, as exemplified by the different fate of hexachlorocyclohexanes in the Arctic. Similarly, our current understanding of POPs' global transport and fate remains sketchy. The importance of organic carbon and global temperature differences have been accepted as key drivers of POPs' global distribution. However, future research will need to understand the various biogeochemical and geophysical cycles under anthropogenic pressures to be able to understand and predict the global fate of POPs accurately. - Future studies into the global fate of POPs will need to pay more attention to the various biogeochemical and anthropogenic cycles to better understand emissions, transport and sinks.

Global information network on chemicals (GINC) and its Asian component

International Nuclear Information System (INIS)

Kaminuma, Tsuguchika; Nakata, Kotoko

2003-01-01

The Global Information Network on Chemicals (GINC) is an effort to build a global information network that links international, national, and other organizations working for the safe management of chemicals in order to exchange information and improve communications. The project was originally proposed in 1993 by one of the authors then at the National Institute of Health Sciences (NIHS) of Japan to the International Program on Chemical Safety (IPCS), which is a joint project of World Health Organization (WHO), International Labor Organization (ILO), and United Nations Environment Program (UNEP). The base support system was first implemented at NIHS using the Internet/World Wide Web (WWW) technology in 1995. The project was then endorsed by the Intergovernmental Forum on Chemical Safety (IFCS) and was adopted by the Inter-Organization Program for the Sound Management of Chemicals (IOMC). However, the base system (http://www.nihs.go.jp/GINC/index.html) has been developed and maintained solely by the NIHS group under the support of the Ministry of Health and Welfare (MHW), Japan. Asia, particularly East Asia and the Pacific region, was chosen as the feasibility study region for this project. During the period from December 1994 to July 2002, NIHS hosted eight meetings on this project held in Tokyo

Finite element modeling of contaminant transport in soils including the effect of chemical reactions.

Science.gov (United States)

Javadi, A A; Al-Najjar, M M

2007-05-17

The movement of chemicals through soils to the groundwater is a major cause of degradation of water resources. In many cases, serious human and stock health implications are associated with this form of pollution. Recent studies have shown that the current models and methods are not able to adequately describe the leaching of nutrients through soils, often underestimating the risk of groundwater contamination by surface-applied chemicals, and overestimating the concentration of resident solutes. Furthermore, the effect of chemical reactions on the fate and transport of contaminants is not included in many of the existing numerical models for contaminant transport. In this paper a numerical model is presented for simulation of the flow of water and air and contaminant transport through unsaturated soils with the main focus being on the effects of chemical reactions. The governing equations of miscible contaminant transport including advection, dispersion-diffusion and adsorption effects together with the effect of chemical reactions are presented. The mathematical framework and the numerical implementation of the model are described in detail. The model is validated by application to a number of test cases from the literature and is then applied to the simulation of a physical model test involving transport of contaminants in a block of soil with particular reference to the effects of chemical reactions. Comparison of the results of the numerical model with the experimental results shows that the model is capable of predicting the effects of chemical reactions with very high accuracy. The importance of consideration of the effects of chemical reactions is highlighted.

Ocean container transport : an underestimated and critical link in global supply chain performance

NARCIS (Netherlands)

Fransoo, J.C.; Lee, C.Y.

2010-01-01

With supply chains distributed across global markets, ocean container transport now is a critical element of any such supply chain. We identify key characteristics of ocean container transport from a supply chain perspective. We find that unlike continental (road) transport, service offerings tend

Measurement of gas transport properties for chemical vapor infiltration

Energy Technology Data Exchange (ETDEWEB)

Starr, T.L.; Hablutzel, N. [Georgia Inst. of Tech., Atlanta, GA (United States). School of Materials Science and Engineering

1996-12-01

In the chemical vapor infiltration (CVI) process for fabricating ceramic matrix composites (CMCs), transport of gas phase reactant into the fiber preform is a critical step. The transport can be driven by pressure or by concentration. This report describes methods for measuring this for CVI preforms and partially infiltrated composites. Results are presented for Nicalon fiber cloth layup preforms and composites, Nextel fiber braid preforms and composites, and a Nicalon fiber 3-D weave composite. The results are consistent with a percolating network model for gas transport in CVI preforms and composites. This model predicts inherent variability in local pore characteristics and transport properties, and therefore, in local densification during processing; this may lead to production of gastight composites.

A numerical study for global atmospheric transport-chemistry problems

NARCIS (Netherlands)

E.J. Spee (Edwin); J.G. Verwer (Jan); P.M. de Zeeuw (Paul); J.G. Blom (Joke); W. Hundsdorfer (Willem)

1998-01-01

htmlabstractAtmospheric air quality modeling relies in part on numerical simulation. Required numerical simulations are often hampered by lack of computer capacity and computational speed. This problem is most severe in the field of global modeling where transport and exchange of trace constituents

A numerical study for global atmospheric transport-chemistry problems

NARCIS (Netherlands)

E.J. Spee (Edwin); J.G. Verwer (Jan); P.M. de Zeeuw (Paul); J.G. Blom (Joke); W. Hundsdorfer (Willem)

1997-01-01

textabstractAtmospheric air quality modeling relies in part on numerical simulation. Required numerical simulations are often hampered by lack of computer capacity and computational speed. This problem is most severe in the field of global modeling where transport and exchange of trace constituents

Transport of Aerosols: Regional and Global Implications for Climate, Weather, and Air Quality

Science.gov (United States)

Chin, Mian; Diehl, Thomas; Yu, Hongbin; Bian, Huisheng; Remer, Lorraine; Kahn, Ralph

2008-01-01

Long-range transport of atmospheric aerosols can have a significant impact on global climate, regional weather, and local air quality. In this study, we use a global model GOCART together with satellite data and ground-based measurements to assess the emission and transport of pollution, dust, biomass burning, and volcanic aerosols and their implications. In particular, we will show the impact of emissions and long-range transport of aerosols from major pollution and dust source regions to (1) the surface air quality, (2) the atmospheric heating rates, and (3) surface radiation change near the source and downwind regions.

Transport, spatio-economic equilibrium and global sustainability. Markets, technology and policy

Energy Technology Data Exchange (ETDEWEB)

Verhoef, E.T.; Van den Bergh, J.C.J.M. [Dep. of Spatial Economics. Fac. of Economics and Econometrics. Vrije Univ., Amsterdam (Netherlands)

1995-03-01

Interdependencies between transport, spatial economy, technology and environment are investigated in the context of regulatory environmental policies aiming at meeting a global environmental target, defined in terms of the environmental utilization space as a prerequisite for global sustainability. A small scale model, based on the adapted spatial price equilibrium methodology presented elsewhere was discussed, serving as an illustration of the formal analysis discussed there. Notwithstanding the model`s simplicity, the simulation results are found to be interesting in that they provide some revealing comparative static insights into issues that are believed to be quite important in the formulation of environmental and transport policies. 12 figs., 12 refs.

Global vertical mass transport by clouds - A two-dimensional model study

International Nuclear Information System (INIS)

Olofsson, Mats

1988-05-01

A two-dimensional global dispersion model, where vertical transport in the troposphere carried out by convective as well as by frontal cloud systems is explicitly treated, is developed from an existing diffusion model. A parameterization scheme for the cloud transport, based on global cloud statistics, is presented. The model has been tested by using Kr-85, Rn-222 and SO 2 as tracers. Comparisons have been made with observed distributions of these tracers, but also with model results without the cloud transport, using eddy diffusion as the primary means of vertical transport. The model results indicate that for trace species with a turnover time of days to weeks, the introduction of cloud-transport gives much more realistic simulations of their vertical distribution. Layers of increased mixing ratio with height, which can be found in real atmosphere, are reproduced in our cloud-transport model profiles, but can never be simulated with a pure eddy diffusion model. The horizontal transport in the model, by advection and eddy diffusion, gives a realistic distribution between the hemispheres of the more long-lived tracers (Kr-85). A combination of vertical transport by convective and frontal cloud systems is shown to improve the model simulations, compared to limiting it to convective transport only. The importance of including cumulus clouds in the convective transport scheme, in addition to the efficient transport by cumulonimbus clouds, is discussed. The model results are shown to be more sensitive to the vertical detrainment distribution profile than to the absolute magnitude of the vertical mass transport. The scavenging processes for SO 2 are parameterized without the introduction of detailed chemistry. An enhanced removal, due to the increased contact with droplets in the in-cloud lifting process, is introduced in the model. (author)

Transport and Fate of Volatile Organic Chemical in Soils

DEFF Research Database (Denmark)

Petersen, Lis Wollesen

Recently much attention has been paid to the behavior of volatile organic chemicals (VOCs) in the environment. This is due to the fact that the environmental pollution with these hazardous chemicals has drastically increased during the last decades. The present study is limited to consider...... the transport and fate of VOCs in the gaseous phase, thus contributing to the overall understanding of VOCs behavior in soil, which eventually will facilitate future cleanup....

Transport and the global environment: Accounting for GHG reductions in policy analysis

Energy Technology Data Exchange (ETDEWEB)

Halsnaes, K. [UNEP Collaborating Centre on Energy and Environment, Roskilde (Denmark); Markanday, A.; Boyd, R.; Hunt, A.; Taylor, T. [Univ. of Bath, (United Kingdom); Sathaye, J. [Univ. of California, Berkeley (USS)

2001-07-01

That the transport sector is among the fastest growing economic sectors in both developed and developing countries is no surprise. The movement of people and goods is an essential part of modern society, and unlike some other economic goods the demand for transport largely coupled to income, so that as people become wealthier they demand ever more transport. Despite their many advantages of personal choice, convenience, and flexibility, modern transportation systems are not without problems, notably those that affect the environment and quality of life. The poor, even hazardous, air quality in many cities is often largely attributed to motor vehicle use, while the transport sector globally contributes one quarter of the greenhouse gases emitted to the atmosphere each year. Unfortunately, the environmental consequences of thransportation choices - both local and global - are often overlooked when transport planning decisions are made. This book attempts to remedy that deficiency by providing a guide to technical experts and policy makers concerned with environmental polices for the transport sector. It offers a consistent analytical structure for examining the environmental aspects of transport choices; defines the key economic and environmental concepts used in good policy analysis; and gives information on technologies, environmental impacts, and cost effectiveness of various policy options. The book also describes international financial mechanisms that can be used to support sustainable transportation policies and programmes. (au)

Modeling non-isothermal multiphase multi-species reactive chemical transport in geologic media

Energy Technology Data Exchange (ETDEWEB)

Tianfu Xu; Gerard, F.; Pruess, K.; Brimhall, G.

1997-07-01

The assessment of mineral deposits, the analysis of hydrothermal convection systems, the performance of radioactive, urban and industrial waste disposal, the study of groundwater pollution, and the understanding of natural groundwater quality patterns all require modeling tools that can consider both the transport of dissolved species as well as their interactions with solid (or other) phases in geologic media and engineered barriers. Here, a general multi-species reactive transport formulation has been developed, which is applicable to homogeneous and/or heterogeneous reactions that can proceed either subject to local equilibrium conditions or kinetic rates under non-isothermal multiphase flow conditions. Two numerical solution methods, the direct substitution approach (DSA) and sequential iteration approach (SIA) for solving the coupled complex subsurface thermo-physical-chemical processes, are described. An efficient sequential iteration approach, which solves transport of solutes and chemical reactions sequentially and iteratively, is proposed for the current reactive chemical transport computer code development. The coupled flow (water, vapor, air and heat) and solute transport equations are also solved sequentially. The existing multiphase flow code TOUGH2 and geochemical code EQ3/6 are used to implement this SIA. The flow chart of the coupled code TOUGH2-EQ3/6, required modifications of the existing codes and additional subroutines needed are presented.

Intercomparison of modal and sectional aerosol microphysics representations within the same 3-D global chemical transport model

Directory of Open Access Journals (Sweden)

G. W. Mann

2012-05-01

Full Text Available In the most advanced aerosol-climate models it is common to represent the aerosol particle size distribution in terms of several log-normal modes. This approach, motivated by computational efficiency, makes assumptions about the shape of the particle distribution that may not always capture the properties of global aerosol. Here, a global modal aerosol microphysics module (GLOMAP-mode is evaluated and improved by comparing against a sectional version (GLOMAP-bin and observations in the same 3-D global offline chemistry transport model. With both schemes, the model captures the main features of the global particle size distribution, with sub-micron aerosol approximately unimodal in continental regions and bi-modal in marine regions. Initial bin-mode comparisons showed that the current values for two size distribution parameter settings in the modal scheme (mode widths and inter-modal separation sizes resulted in clear biases compared to the sectional scheme. By adjusting these parameters in the modal scheme, much better agreement is achieved against the bin scheme and observations. Annual mean surface-level mass of sulphate, sea-salt, black carbon (BC and organic carbon (OC are within 25% in the two schemes in nearly all regions. Surface level concentrations of condensation nuclei (CN, cloud condensation nuclei (CCN, surface area density and condensation sink also compare within 25% in most regions. However, marine CCN concentrations between 30° N and 30° S are systematically 25–60% higher in the modal model, which we attribute to differences in size-resolved particle growth or cloud-processing. Larger differences also exist in regions or seasons dominated by biomass burning and in free-troposphere and high-latitude regions. Indeed, in the free-troposphere, GLOMAP-mode BC is a factor 2–4 higher than GLOMAP-bin, likely due to differences in size-resolved scavenging. Nevertheless, in most parts of the atmosphere, we conclude that bin

Global tropospheric ozone modeling: Quantifying errors due to grid resolution

OpenAIRE

Wild, Oliver; Prather, Michael J

2006-01-01

Ozone production in global chemical models is dependent on model resolution because ozone chemistry is inherently nonlinear, the timescales for chemical production are short, and precursors are artificially distributed over the spatial scale of the model grid. In this study we examine the sensitivity of ozone, its precursors, and its production to resolution by running a global chemical transport model at four different resolutions between T21 (5.6° × 5.6°) and T106 (1.1° × 1.1°) and by quant...

Collection, transfer and transport of waste: accounting of greenhouse gases and global warming contribution

DEFF Research Database (Denmark)

Eisted, Rasmus; Larsen, Anna Warberg; Christensen, Thomas Højlund

2009-01-01

) emissions were quantified. The emission factors were assigned a global warming potential (GWP) and aggregated into global warming factors (GWFs), which express the potential contribution to global warming from collection, transport and transfer of 1 tonne of wet waste. Six examples involving collection...

Global impact of road traffic on atmospheric chemical composition and on ozone climate forcing

Science.gov (United States)

Niemeier, Ulrike; Granier, Claire; Kornblueh, Luis; Walters, Stacy; Brasseur, Guy P.

2006-05-01

Automobile emissions are known to contribute to local air pollution and to photochemical smog in urban areas. The impact of road traffic on the chemical composition of the troposphere at the global scale and on climate forcing is less well quantified. Calculations performed with the chemical transport MOZART-2 model show that the concentrations of ozone and its precursors (NOx, CO, and hydrocarbons) are considerably enhanced in most regions of the Northern Hemisphere in response to current surface traffic. During summertime in the Northern Hemisphere, road traffic has increased the zonally averaged ozone concentration by more than 10% in the boundary layer and in the extratropics by approximately 6% at 500 hPa and 2.5% at 300 hPa. The summertime surface ozone concentrations have increased by typically 1-5 ppbv in the remote regions and by 5-20 ppbv in industrialized regions of the Northern Hemisphere. The corresponding ozone-related radiative forcing is 0.05 Wm-2. In order to assess the sensitivity of potential changes in road traffic intensity, two additional model cases were considered, in which traffic-related emissions in all regions of the world were assumed to be on a per capita basis the same as in Europe and in the United States, respectively. In the second and most dramatic case, the surface ozone concentration increases by 30-50 ppbv (50-100%) in south Asia as compared to the present situation. Under this assumption, the global radiative forcing due to traffic-generated ozone reaches 0.27 Wm-2.

A vector/parallel method for a three-dimensional transport model coupled with bio-chemical terms

NARCIS (Netherlands)

B.P. Sommeijer (Ben); J. Kok (Jan)

1995-01-01

textabstractA so-called fractional step method is considered for the time integration of a three-dimensional transport-chemical model in shallow seas. In this method, the transport part and the chemical part are treated separately by appropriate integration techniques. This separation is motivated

Determinants of Operational Efficiency at Chemical Cargo Terminals

Directory of Open Access Journals (Sweden)

T.A. Gúlcan

2014-06-01

Full Text Available In today’s globalized world, one of the requirements of global supply chains is efficient transportation systems. Approximately 80 per cent of world merchandise trade carried by sea and handled by ports worldwide. For this reason, maritime transport has the strategic economic importance. Loading of oil and gas has the biggest share (%30 in commodities carried by sea and 2.9 billion tons oil and gas loaded to ship in 2013. This study is focus on chemical cargo terminals which is a special terminal form where high and international levels of safety and quality elements applied. Unlike conventional bulk cargo and container cargo operations, chemical cargo operations include own priorities, applications, and the evaluation criteria. The aim of this study is to perform a qualitative research to determine the factors affecting the operational efficiency of ship, berth and warehousing operations in chemical cargo terminals.

Magnon spin transport driven by the magnon chemical in a magnetic insulator

NARCIS (Netherlands)

Cornelissen, L.J.; Peters, K.J.H.; Bauer, G.E.W.; Duine, R.A.; van Wees, B.J.

2016-01-01

We develop a linear-response transport theory of diffusive spin and heat transport by magnons in magnetic insulators with metallic contacts. The magnons are described by a position-dependent temperature and chemical potential that are governed by diffusion equations with characteristic relaxation

Reducing global NOx emissions: developing advanced energy and transportation technologies.

Science.gov (United States)

Bradley, Michael J; Jones, Brian M

2002-03-01

Globally, energy demand is projected to continue to increase well into the future. As a result, global NOx emissions are projected to continue on an upward trend for the foreseeable future as developing countries increase their standards of living. While the US has experienced improvements in reducing NOx emissions from stationary and mobile sources to reduce ozone, further progress is needed to reduce the health and ecosystem impacts associated with NOx emissions. In other parts of the world, (in developing countries in particular) NOx emissions have been increasing steadily with the growth in demand for electricity and transportation. Advancements in energy and transportation technologies may help avoid this increase in emissions if appropriate policies are implemented. This paper evaluates commercially available power generation and transportation technologies that produce fewer NOx emissions than conventional technologies, and advanced technologies that are on the 10-year commercialization horizon. Various policy approaches will be evaluated which can be implemented on the regional, national and international levels to promote these advanced technologies and ultimately reduce NOx emissions. The concept of the technology leap is offered as a possibility for the developing world to avoid the projected increases in NOx emissions.

Evaluating the Credibility of Transport Processes in Simulations of Ozone Recovery using the Global Modeling Initiative Three-dimensional Model

Science.gov (United States)

Strahan, Susan E.; Douglass, Anne R.

2004-01-01

The Global Modeling Initiative (GMI) has integrated two 36-year simulations of an ozone recovery scenario with an offline chemistry and tra nsport model using two different meteorological inputs. Physically ba sed diagnostics, derived from satellite and aircraft data sets, are d escribed and then used to evaluate the realism of temperature and transport processes in the simulations. Processes evaluated include barri er formation in the subtropics and polar regions, and extratropical w ave-driven transport. Some diagnostics are especially relevant to sim ulation of lower stratospheric ozone, but most are applicable to any stratospheric simulation. The global temperature evaluation, which is relevant to gas phase chemical reactions, showed that both sets of me teorological fields have near climatological values at all latitudes and seasons at 30 hPa and below. Both simulations showed weakness in upper stratospheric wave driving. The simulation using input from a g eneral circulation model (GMI(GCM)) showed a very good residual circulation in the tropics and Northern Hemisphere. The simulation with inp ut from a data assimilation system (GMI(DAS)) performed better in the midlatitudes than it did at high latitudes. Neither simulation forms a realistic barrier at the vortex edge, leading to uncertainty in the fate of ozone-depleted vortex air. Overall, tracer transport in the offline GML(GCM) has greater fidelity throughout the stratosphere tha n it does in the GMI(DAS)

Chemical and kinetic equilibrations via radiative parton transport

International Nuclear Information System (INIS)

Zhang Bin; Wortman, Warner A

2011-01-01

A hot and dense partonic system can be produced in the early stage of a relativistic heavy ion collision. How it equilibrates is important for the extraction of Quark-Gluon Plasma properties. We study the chemical and kinetic equilibrations of the Quark-Gluon Plasma using a radiative transport model. Thermal and Color-Glass-Condensate motivated initial conditions are used. We observe that screened parton interactions always lead to partial pressure isotropization. Different initial pressure anisotropies result in the same asymptotic evolution. Comparison of evolutions with and without radiative processes shows that chemical equilibration interacts with kinetic equilibration and radiative processes can contribute significantly to pressure isotropization.

A Study on Efficiency Improvement of the Hybrid Monte Carlo/Deterministic Method for Global Transport Problems

International Nuclear Information System (INIS)

Kim, Jong Woo; Woo, Myeong Hyeon; Kim, Jae Hyun; Kim, Do Hyun; Shin, Chang Ho; Kim, Jong Kyung

2017-01-01

In this study hybrid Monte Carlo/Deterministic method is explained for radiation transport analysis in global system. FW-CADIS methodology construct the weight window parameter and it useful at most global MC calculation. However, Due to the assumption that a particle is scored at a tally, less particles are transported to the periphery of mesh tallies. For compensation this space-dependency, we modified the module in the ADVANTG code to add the proposed method. We solved the simple test problem for comparing with result from FW-CADIS methodology, it was confirmed that a uniform statistical error was secured as intended. In the future, it will be added more practical problems. It might be useful to perform radiation transport analysis using the Hybrid Monte Carlo/Deterministic method in global transport problems.

Determinants of Operational Efficiency at Chemical Cargo Terminals

OpenAIRE

T.A. Gúlcan; S. Esmer; Y. Zorba; G. Şengónúl

2014-01-01

In today’s globalized world, one of the requirements of global supply chains is efficient transportation systems. Approximately 80 per cent of world merchandise trade carried by sea and handled by ports worldwide. For this reason, maritime transport has the strategic economic importance. Loading of oil and gas has the biggest share (%30) in commodities carried by sea and 2.9 billion tons oil and gas loaded to ship in 2013. This study is focus on chemical cargo terminals which is a special ter...

Efficient modeling of reactive transport phenomena by a multispecies random walk coupled to chemical equilibrium

International Nuclear Information System (INIS)

Pfingsten, W.

1996-01-01

Safety assessments for radioactive waste repositories require a detailed knowledge of physical, chemical, hydrological, and geological processes for long time spans. In the past, individual models for hydraulics, transport, or geochemical processes were developed more or less separately to great sophistication for the individual processes. Such processes are especially important in the near field of a waste repository. Attempts have been made to couple at least two individual processes to get a more adequate description of geochemical systems. These models are called coupled codes; they couple predominantly a multicomponent transport model with a chemical reaction model. Here reactive transport is modeled by the sequentially coupled code MCOTAC that couples one-dimensional advective, dispersive, and diffusive transport with chemical equilibrium complexation and precipitation/dissolution reactions in a porous medium. Transport, described by a random walk of multispecies particles, and chemical equilibrium calculations are solved separately, coupled only by an exchange term. The modular-structured code was applied to incongruent dissolution of hydrated silicate gels, to movement of multiple solid front systems, and to an artificial, numerically difficult heterogeneous redox problem. These applications show promising features with respect to applicability to relevant problems and possibilities of extensions

GEM-AQ, an on-line global multiscale chemical weather modelling system: model description and evaluation of gas phase chemistry processes

Directory of Open Access Journals (Sweden)

J. W. Kaminski

2008-06-01

Full Text Available Tropospheric chemistry and air quality processes were implemented on-line in the Global Environmental Multiscale weather prediction model. The integrated model, GEM-AQ, was developed as a platform to investigate chemical weather at scales from global to urban. The current chemical mechanism is comprised of 50 gas-phase species, 116 chemical and 19 photolysis reactions, and is complemented by a sectional aerosol module with 5 aerosols types. All tracers are advected using the semi-Lagrangian scheme native to GEM. The vertical transport includes parameterized subgrid-scale turbulence and large scale deep convection. Dry deposition is included as a flux boundary condition in the vertical diffusion equation. Wet deposition of gas-phase species is treated in a simplified way, and only below-cloud scavenging is considered. The emissions used include yearly-averaged anthropogenic, and monthly-averaged biogenic, ocean, soil, and biomass burning emission fluxes, as well as NO_x from lightning. In order to evaluate the ability to simulate seasonal variations and regional distributions of trace gases such as ozone, nitrogen dioxide and carbon monoxide, the model was run for a period of five years (2001–2005 on a global uniform 1.5°×1.5° horizontal resolution domain and 28 hybrid levels extending up to 10 hPa. Model results were compared with observations from satellites, aircraft measurement campaigns and balloon sondes. We find that GEM-AQ is able to capture the spatial details of the chemical fields in the middle and lower troposphere. The modelled ozone consistently shows good agreement with observations, except over tropical oceans. The comparison of carbon monoxide and nitrogen dioxide with satellite measurements emphasizes the need for more accurate, year-specific emissions fluxes for biomass burning and anthropogenic sources. Other species also compare well with available observations.

Global long-range transport and lung cancer risk from polycyclic aromatic hydrocarbons shielded by coatings of organic aerosol

Science.gov (United States)

Shrivastava, Manish; Lou, Silja; Zelenyuk, Alla; Easter, Richard C.; Corley, Richard A.; Thrall, Brian D.; Rasch, Philip J.; Fast, Jerome D.; Massey Simonich, Staci L.; Shen, Huizhong; Tao, Shu

2017-02-01

Polycyclic aromatic hydrocarbons (PAHs) have toxic impacts on humans and ecosystems. One of the most carcinogenic PAHs, benzo(a)pyrene (BaP), is efficiently bound to and transported with atmospheric particles. Laboratory measurements show that particle-bound BaP degrades in a few hours by heterogeneous reaction with ozone, yet field observations indicate BaP persists much longer in the atmosphere, and some previous chemical transport modeling studies have ignored heterogeneous oxidation of BaP to bring model predictions into better agreement with field observations. We attribute this unexplained discrepancy to the shielding of BaP from oxidation by coatings of viscous organic aerosol (OA). Accounting for this OA viscosity-dependent shielding, which varies with temperature and humidity, in a global climate/chemistry model brings model predictions into much better agreement with BaP measurements, and demonstrates stronger long-range transport, greater deposition fluxes, and substantially elevated lung cancer risk from PAHs. Model results indicate that the OA coating is more effective in shielding BaP in the middle/high latitudes compared with the tropics because of differences in OA properties (semisolid when cool/dry vs. liquid-like when warm/humid). Faster chemical degradation of BaP in the tropics leads to higher concentrations of BaP oxidation products over the tropics compared with higher latitudes. This study has profound implications demonstrating that OA strongly modulates the atmospheric persistence of PAHs and their cancer risks.

CLP Regulation and the transport of dangerous goods

Directory of Open Access Journals (Sweden)

Sergio Benassai

2011-01-01

Full Text Available Regulations concerning different modes of transport of dangerous goods are well harmonized at global level: they were then looked at as a model for developing Globally Harmonized System of Classification and Labelling of Chemicals (GHS, (on which CLP Regulations is based. Transport regulations do not cover some hazard classes, such as germ cell mutagenicity, carcinogenicity, reproductive toxicity, having been evaluated that such hazards are not relevant in transport because in general, in case of accident, no repeated and prolonged exposure takes place. Other differences with CLP Regulation are related to the use of "building block approach". Transport labels, which were used as a basis for GHS, can be used, instead of CLP pictograms, on packages during transport.

Enhancing the design of in situ chemical barriers with multicomponent reactive transport modeling

International Nuclear Information System (INIS)

Sevougian, S.D.; Steefel, C.I.; Yabusaki, S.B.

1994-11-01

This paper addresses the need for systematic control of field-scale performance in the emplacement and operation of in situ chemical treatment barriers; in particular, it addresses the issue of how the local coupling of reaction kinetics and material heterogeneities at the laboratory or bench scale can be accurately upscaled to the field. The authors have recently developed modeling analysis tools that can explicitly account for all relevant chemical reactions that accompany the transport of reagents and contaminants through a chemically and physically heterogeneous subsurface rock or soil matrix. These tools are incorporated into an enhanced design methodology for in situ chemical treatment technologies, and the new methodology is demonstrated in the ongoing design of a field experiment for the In Situ Redox Manipulation (ISRM) project at the U.S. Department of Energy (DOE) Hanford Site. The ISRM design approach, which systematically integrates bench-scale and site characterization information, provides an ideal test for the new reactive transport techniques. The need for the enhanced chemistry capability is demonstrated by an example that shows how intra-aqueous redox kinetics can affect the transport of reactive solutes. Simulations are carried out on massively parallel computer architectures to resolve the influence of multiscale heterogeneities on multicomponent, multidimensional reactive transport. The technology will soon be available to design larger-scale remediation schemes

No nation is home alone: understanding the international dimension of homeland security through global transportation security programs

OpenAIRE

Tarpey, Dominique

2016-01-01

Approved for public release; distribution is unlimited Terrorist actors focus on the global transportation system to introduce threats and target attacks. As the lead department for securing the transportation system into the United States, the Department of Homeland Security (DHS) works both domestically and internationally to implement programs and foreign assistance activities to secure the global transportation network. This thesis examines DHS’ international role by analyzing programs...

Electron transport in radiotherapy using local-to-global Monte Carlo

International Nuclear Information System (INIS)

Svatos, M.M.; Chandler, W.P.; Siantar, C.L.H.; Rathkopf, J.A.; Ballinger, C.T.

1994-09-01

Local-to-Global (L-G) Monte Carlo methods are a way to make three-dimensional electron transport both fast and accurate relative to other Monte Carlo methods. This is achieved by breaking the simulation into two stages: a local calculation done over small geometries having the size and shape of the ''steps'' to be taken through the mesh; and a global calculation which relies on a stepping code that samples the stored results of the local calculation. The increase in speed results from taking fewer steps in the global calculation than required by ordinary Monte Carlo codes and by speeding up the calculation per step. The potential for accuracy comes from the ability to use long runs of detailed codes to compile probability distribution functions (PDFs) in the local calculation. Specific examples of successful Local-to-Global algorithms are given

A global-scale dispersion analysis of iodine-129 from nuclear fuel reprocessing plants

International Nuclear Information System (INIS)

Nishizawa, Masato; Suzuki, Takashi; Nagai, Haruyasu; Togawa, Orihiko

2010-01-01

A three-dimensional global chemical transport model, MOZART-2, is applied to investigate the global-sale dispersion of Iodine-129 from nuclear fuel reprocessing plants. The concentration and deposition of 129 I obtained by MOZART-2 are dispersed all over the Northern Hemisphere. The emission of 129 I to the atmosphere is thus important in considering the transport of 129 I to remote sites. (author)

Perspectives on Chemicals from Renewable Resources

NARCIS (Netherlands)

Scott, E.L.; Sanders, J.P.M.; Steinbuchel, A.

2009-01-01

Faced with increasing global demand for raw materials to meet the needs of transportation fuels, energy and chemical production coupled with depleting fossil reserves, fluctuating oil prices and ecological impact associated with CO2 emissions, there has been heightened awareness for the need to

Polycyclic aromatic hydrocarbons - fate and long-range atmospheric transport studied using a global model, EMAC-SVOC

Science.gov (United States)

Octaviani, Mega; Tost, Holger; Lammel, Gerhard

2017-04-01

Polycyclic aromatic hydrocarbons (PAHs) are emitted by incomplete combustion from fossil fuel, vehicles, and biomass burning. They may persist in environmental compartments, pose a health hazard and may bio accumulate along food chains. The ECHAM/MESSy Atmospheric Chemistry (EMAC) model had been used to simulate global tropospheric, stratospheric chemistry and climate. In this study, we improve the model to include simulations of the transport and fate of semi-volatile organic compounds (SVOC). The EMAC-SVOC model takes into account essential environmental processes including gas-particle partitioning, dry and wet deposition, chemical and bio-degradation, and volatilization from sea surface, soils, vegetation, and snow. The model was evaluated against observational data in the Arctic, mid-latitudes, and tropics, and further applied to study total environmental lifetime and long-range transport potential (LRTP) of PAHs. We selected four compounds for study, spanning a wide range of volatility, i.e., phenanthrene, fluoranthene, pyrene, and benzo[a]pyrene. Several LRTP indicators were investigated, including the Arctic contamination potential, meridional spreading, and zonal and meridional fluxes to remote regions.

Evaluating inter-continental transport of fine aerosols:(2) Global health impact

Science.gov (United States)

Liu, Junfeng; Mauzerall, Denise L.; Horowitz, Larry W.

In this second of two companion papers, we quantify for the first time the global impact on premature mortality of the inter-continental transport of fine aerosols (including sulfate, black carbon, organic carbon, and mineral dust) using the global modeling results of (Liu et al., 2009). Our objective is to estimate the number of premature mortalities in each of ten selected continental regions resulting from fine aerosols transported from foreign regions in approximately year 2000. Our simulated annual mean population-weighted (P-W) concentrations of total PM2.5 (aerosols with diameter less than 2.5 μm) are highest in East Asia (EA, 30 μg m -3) and lowest in Australia (3.6 μg m -3). Dust is the dominant component of PM2.5 transported between continents. We estimate global annual premature mortalities (for adults age 30 and up) due to inter-continental transport of PM2.5 to be nearly 380 thousand (K) in 2000. Approximately half of these deaths occur in the Indian subcontinent (IN), mostly due to aerosols transported from Africa and the Middle East (ME). Approximately 90K deaths globally are associated with exposure to foreign (i.e., originating outside a receptor region) non-dust PM2.5. More than half of the premature mortalities associated with foreign non-dust aerosols are due to aerosols originating from Europe (20K), ME (18K) and EA (15K); and nearly 60% of the 90K deaths occur in EA (21K), IN (19K) and Southeast Asia (16K). The lower and higher bounds of our estimated 95% confidence interval (considering uncertainties from the concentration-response relationship and simulated aerosol concentrations) are 18% and 240% of the estimated deaths, respectively, and could be larger if additional uncertainties were quantified. We find that in 2000 nearly 6.6K premature deaths in North America (NA) were associated with foreign PM2.5 exposure (5.5K from dust PM2.5). NA is least impacted by foreign PM2.5 compared to receptors on the Eurasian continent. However, the

Transport-induced shifts in condensate dew-point and composition in multicomponent systems with chemical reaction

Science.gov (United States)

Rosner, D. E.; Nagarajan, R.

1985-01-01

Partial heterogeneous condensation phenomena in multicomponent reacting systems are analyzed taking into consideration the chemical element transport phenomena. It is demonstrated that the dew-point surface temperature in chemically reactive systems is not a purely thermodynamic quantity, but is influenced by the multicomponent diffusion and Soret-mass diffusion phenomena. Several distinct dew-points are shown to exist in such systems and, as a result of transport constraints, the 'sharp' locus between two chemically distinct condensates is systematically moved to a difference mainstream composition.

Transport Coefficients for the NASA Lewis Chemical Equilibrium Program

Science.gov (United States)

Svehla, Roger A.

1995-01-01

The new transport property data that will be used in the NASA Lewis Research Center's Chemical Equilibrium and Applications Program (CEA) is presented. It complements a previous publication that documented the thermodynamic and transport property data then in use. Sources of the data and a brief description of the method by which the data were obtained are given. Coefficients to calculate the viscosity, thermal conductivity, and binary interactions are given for either one, or usually, two temperature intervals, typically 300 to 1000 K and 1000 to 5000 K. The form of the transport equation is the same as used previously. The number of species was reduced from the previous database. Many species for which the data were estimated were eliminated from the database. Some ionneutral interactions were added.

GEM-AQ/EC, an on-line global multi-scale chemical weather modelling system: model development and evaluation of global aerosol climatology

Directory of Open Access Journals (Sweden)

S. L. Gong

2012-09-01

Full Text Available A global air quality modeling system GEM-AQ/EC was developed by implementing tropospheric chemistry and aerosol processes on-line into the Global Environmental Multiscale weather prediction model – GEM. Due to the multi-scale features of the GEM, the integrated model, GEM-AQ/EC, is able to investigate chemical weather at scales from global to urban domains. The current chemical mechanism is comprised of 50 gas-phase species, 116 chemical and 19 photolysis reactions, and is complemented by a sectional aerosol module CAM (The Canadian Aerosol Module with 5 aerosols types: sulphate, black carbon, organic carbon, sea-salt and soil dust. Monthly emission inventories of black carbon and organic carbon from boreal and temperate vegetation fires were assembled using the most reliable areas burned datasets by countries, from statistical databases and derived from remote sensing products of 1995–2004. The model was run for ten years from from 1995–2004 with re-analyzed meteorology on a global uniform 1° × 1° horizontal resolution domain and 28 hybrid levels extending up to 10 hPa. The simulating results were compared with various observations including surface network around the globe and satellite data. Regional features of global aerosols are reasonably captured including emission, surface concentrations and aerosol optical depth. For various types of aerosols, satisfactory correlations were achieved between modeled and observed with some degree of systematic bias possibly due to large uncertainties in the emissions used in this study. A global distribution of natural aerosol contributions to the total aerosols is obtained and compared with observations.

Chemical Transport Models on Accelerator Architectures

Science.gov (United States)

Linford, J.; Sandu, A.

2008-12-01

Heterogeneous multicore chipsets with many layers of polymorphic parallelism are becoming increasingly common in high-performance computing systems. Homogeneous co-processors with many streaming processors also offer unprecedented peak floating-point performance. Effective use of parallelism in these new chipsets is paramount. We present optimization techniques for 3D chemical transport models to take full advantage of emerging Cell Broadband Engine and graphical processing unit (GPU) technology. Our techniques achieve 2.15x the per-node performance of an IBM BlueGene/P on the Cell Broadband Engine, and a strongly-scalable 1.75x the per-node performance of an IBM BlueGene/P on an NVIDIA GeForce 8600.

Decabrominated Diphenyl Ethers (BDE-209) in Chinese and Global Air: Levels, Gas/Particle Partitioning, and Long-Range Transport: Is Long-Range Transport of BDE-209 Really Governed by the Movement of Particles?

Science.gov (United States)

Li, Yi-Fan; Qiao, Li-Na; Ren, Nan-Qi; Sverko, Ed; Mackay, Donald; Macdonald, Robie W

2017-01-17

In this paper, we report air concentrations of BDE-209 in both gas- and particle-phases across China. The annual mean concentrations of BDE-209 were from below detection limit (BDL) to 77.0 pg·m -3 in the gas-phase and 1.06-728 pg·m -3 in the particle-phase. Among the nine PBDEs measured, BDE-209 is the dominant congener in Chinese atmosphere in both gas and particle phases. We predicted the partitioning behavior of BDE-209 in air using our newly developed steady state equation, and the results matched the monitoring data worldwide very well. It was found that the logarithm of the partition quotient of BDE-209 is a constant, and equal to -1.53 under the global ambient temperature range (from -50 to +50 °C). The gaseous fractions of BDE-209 in air depends on the concentration of total suspended particle (TSP). The most important conclusion derived from this study is that, BDE-209, like other semivolatile organic compounds (SVOCs), cannot be sorbed entirely to atmospheric particles; and there is a significant amount of gaseous BDE-209 in global atmosphere, which is subject to long-range atmospheric transport (LRAT). Therefore, it is not surprising that BDE-209 can enter the Arctic through LRAT mainly by air transport rather than by particle movement. This is a significant advancement in understanding the global transport process and the pathways entering the Arctic for chemicals with low volatility and high octanol-air partition coefficients, such as BDE-209.

Transboundary health impacts of transported global air pollution and international trade

Science.gov (United States)

Tong, D.; Zhang, Q.; Jiang, X.

2017-12-01

Millions of people die every year from diseases caused by exposure to outdoor air pollution. Some studies have estimated premature mortality related to local sources of air pollution, but local air quality can also be affected by atmospheric transport of pollution from distant sources. International trade is contributing to the globalization of emission and pollution as a result of the production of goods (and their associated emissions) in one region for consumption in another region. The effects of international trade on air pollutant emissions, air quality and health have been investigated regionally, but a combined, global assessment of the health impacts related to international trade and the transport of atmospheric air pollution is lacking. Here we combine four global models to estimate premature mortality caused by fine particulate matter (PM2.5) pollution as a result of atmospheric transport and the production and consumption of goods and services in different world regions. We find that, of the 3.45 million premature deaths related to PM2.5 pollution in 2007 worldwide, about 12 per cent (411,100 deaths) were related to air pollutants emitted in a region of the world other than that in which the death occurred, and about 22 per cent (762,400 deaths) were associated with goods and services produced in one region for consumption in another. For example, PM2.5 pollution produced in China in 2007 is linked to more than 64,800 premature deaths in regions other than China, including more than 3,100 premature deaths in western Europe and the USA; on the other hand, consumption in western Europe and the USA is linked to more than 108,600 premature deaths in China. Our results reveal that the transboundary health impacts of PM2.5 pollution associated with international trade are greater than those associated with long-distance atmospheric pollutant transport.

Transboundary health impacts of transported global air pollution and international trade.

Science.gov (United States)

Zhang, Qiang; Jiang, Xujia; Tong, Dan; Davis, Steven J; Zhao, Hongyan; Geng, Guannan; Feng, Tong; Zheng, Bo; Lu, Zifeng; Streets, David G; Ni, Ruijing; Brauer, Michael; van Donkelaar, Aaron; Martin, Randall V; Huo, Hong; Liu, Zhu; Pan, Da; Kan, Haidong; Yan, Yingying; Lin, Jintai; He, Kebin; Guan, Dabo

2017-03-29

Millions of people die every year from diseases caused by exposure to outdoor air pollution. Some studies have estimated premature mortality related to local sources of air pollution, but local air quality can also be affected by atmospheric transport of pollution from distant sources. International trade is contributing to the globalization of emission and pollution as a result of the production of goods (and their associated emissions) in one region for consumption in another region. The effects of international trade on air pollutant emissions, air quality and health have been investigated regionally, but a combined, global assessment of the health impacts related to international trade and the transport of atmospheric air pollution is lacking. Here we combine four global models to estimate premature mortality caused by fine particulate matter (PM 2.5 ) pollution as a result of atmospheric transport and the production and consumption of goods and services in different world regions. We find that, of the 3.45 million premature deaths related to PM 2.5 pollution in 2007 worldwide, about 12 per cent (411,100 deaths) were related to air pollutants emitted in a region of the world other than that in which the death occurred, and about 22 per cent (762,400 deaths) were associated with goods and services produced in one region for consumption in another. For example, PM 2.5 pollution produced in China in 2007 is linked to more than 64,800 premature deaths in regions other than China, including more than 3,100 premature deaths in western Europe and the USA; on the other hand, consumption in western Europe and the USA is linked to more than 108,600 premature deaths in China. Our results reveal that the transboundary health impacts of PM 2.5 pollution associated with international trade are greater than those associated with long-distance atmospheric pollutant transport.

Magnon spin transport driven by the magnon chemical potential in a magnetic insulator

NARCIS (Netherlands)

Cornelissen, L J; Peters, K J H; Bauer, G. E. W.; Duine, R A; van Wees, B J

2016-01-01

We develop a linear-response transport theory of diffusive spin and heat transport by magnons in magnetic insulators with metallic contacts. The magnons are described by a position-dependent temperature and chemical potential that are governed by diffusion equations with characteristic relaxation

Magnon spin transport driven by the magnon chemical potential in a magnetic insulator

NARCIS (Netherlands)

Cornelissen, L.J.; Peters, K. J H; Bauer, G.E.; Duine, R. A.; Van Wees, B. J.

2016-01-01

We develop a linear-response transport theory of diffusive spin and heat transport by magnons in magnetic insulators with metallic contacts. The magnons are described by a position-dependent temperature and chemical potential that are governed by diffusion equations with characteristic relaxation

Magnon spin transport driven by the magnon chemical potential in a magnetic insulator

NARCIS (Netherlands)

Cornelissen, Ludo J.; Peters, Kevin J. H.; Duine, Rembert A.|info:eu-repo/dai/nl/304830127; Bauer, Gerrit E. W.; Wees, Bart J. van

2016-01-01

We develop a linear-response transport theory of diffusive spin and heat transport by magnons in magnetic insulators with metallic contacts. The magnons are described by a position dependent temperature and chemical potential that are governed by diffusion equations with characteristic relaxation

The global impact of the transport sectors on atmospheric aerosol in 2030 – Part 1: Land transport and shipping

Directory of Open Access Journals (Sweden)

M. Righi

2015-01-01

Full Text Available Using the EMAC (ECHAM/MESSy Atmospheric Chemistry global climate-chemistry model coupled to the aerosol module MADE (Modal Aerosol Dynamics model for Europe, adapted for global applications, we simulate the impact of land transport and shipping emissions on global atmospheric aerosol and climate in 2030. Future emissions of short-lived gas and aerosol species follow the four Representative Concentration Pathways (RCPs designed in support of the Fifth Assessment Report of the Intergovernmental Panel on Climate Change. We compare the resulting 2030 land-transport- and shipping-induced aerosol concentrations to the ones obtained for the year 2000 in a previous study with the same model configuration. The simulations suggest that black carbon and aerosol nitrate are the most relevant pollutants from land transport in 2000 and 2030 and their impacts are characterized by very strong regional variations during this time period. Europe and North America experience a decrease in the land-transport-induced particle pollution, although in these regions this sector remains a major source of surface-level pollution in 2030 under all RCPs. In Southeast Asia, however, a significant increase is simulated, but in this region the surface-level pollution is still controlled by other sources than land transport. Shipping-induced air pollution is mostly due to aerosol sulfate and nitrate, which show opposite trends towards 2030. Sulfate is strongly reduced as a consequence of sulfur reduction policies in ship fuels in force since 2010, while nitrate tends to increase due to the excess of ammonia following the reduction in ammonium sulfate. The aerosol-induced climate impact of both sectors is dominated by aerosol-cloud effects and is projected to decrease between 2000 and 2030, nevertheless still contributing a significant radiative forcing to Earth's radiation budget.

A dispersion model of transport media in radiotracer investigations on selected chemical installations

International Nuclear Information System (INIS)

Iller, E.

1999-01-01

Tracer investigations of media transport through chemical reactors play a significant role in the chemical technology. They provide the basis for the determination of some important process parameters, such as flow character of the transported medium, degree of utilisation of the reactor volume during chemical transitions of substrates or even indicate possible mechanisms of chemical reactions. Determination of the medium flow characteristics is closely connected with the mathematical description of the process - a mathematical model of transport. The method of assessment of radiotracers suitability for the investigation of distillation processes presented in this paper allows to determine, in a simple manner, the parameters of distillation characteristics of the radionuclides, the average distillation temperature, the range of distillation temperatures, a suitable radiochemical purity. These parameters precisely determine the behavior of tracers to be expected in a wide range of variable conditions of the distillation process. Applications of tracer tested in such a manner to the investigations of dynamics of media in the industrial rectification columns has resulted in obtaining a dependable evaluation of the performance of these columns in a wide range of changes of their operational parameters. Particular attention has been paid to dynamics of the liquid [phase on the column plate. A dispersion model of liquid flow with hold-up zones has been proposed for the description of the liquid phase transport in the plate - overall assembly.The model consists of a number of flow and stagnant zones, with mass transfer between them. Another example of practical application of results from radiotracer investigation is an analysis of of phase dynamics in the installations designed for the process of liquefaction of Polish coals by means of their catalytic hydrogenation. For the analysis of phase transport in a reaction vessel various mathematical models were applied with

Tearing relaxation and the globalization of transport in field-reversed configurations

International Nuclear Information System (INIS)

Steinhauer, Loren; Barnes, D. C.

2009-01-01

Tearing instability of field-reversed configurations (FRC) is investigated using the method of neighboring equilibria. It is shown that the conducting wall position in experiment lies very close to the location needed for tearing stability. This strongly suggests that vigorous but benign tearing modes, acting globally, are the engine of continual self-organization in FRCs, i.e., tearing relaxation. It also explains the ''profile consistency'' and anomalous loss rate of magnetic flux. In effect, tearing globalizes the effect of edge-driven transport.

Some Sensitivity Studies of Chemical Transport Simulated in Models of the Soil-Plant-Litter System

Energy Technology Data Exchange (ETDEWEB)

Begovich, C.L.

2002-10-28

Fifteen parameters in a set of five coupled models describing carbon, water, and chemical dynamics in the soil-plant-litter system were varied in a sensitivity analysis of model response. Results are presented for chemical distribution in the components of soil, plants, and litter along with selected responses of biomass, internal chemical transport (xylem and phloem pathways), and chemical uptake. Response and sensitivity coefficients are presented for up to 102 model outputs in an appendix. Two soil properties (chemical distribution coefficient and chemical solubility) and three plant properties (leaf chemical permeability, cuticle thickness, and root chemical conductivity) had the greatest influence on chemical transport in the soil-plant-litter system under the conditions examined. Pollutant gas uptake (SO{sub 2}) increased with change in plant properties that increased plant growth. Heavy metal dynamics in litter responded to plant properties (phloem resistance, respiration characteristics) which induced changes in the chemical cycling to the litter system. Some of the SO{sub 2} and heavy metal responses were not expected but became apparent through the modeling analysis.

Estimation of Radiative Efficiency of Chemicals with Potentially Significant Global Warming Potential

Data.gov (United States)

U.S. Environmental Protection Agency — The set of commercially available chemical substances in commerce that may have significant global warming potential (GWP) is not well defined. Although there are...

Response of the global climate to changes in atmospheric chemical composition due to fossil fuel burning

Science.gov (United States)

Hameed, S.; Cess, R. D.; Hogan, J. S.

1980-01-01

Recent modeling of atmospheric chemical processes (Logan et al, 1978; Hameed et al, 1979) suggests that tropospheric ozone and methane might significantly increase in the future as the result of increasing anthropogenic emissions of CO, NO(x), and CH4 due to fossil fuel burning. Since O3 and CH4 are both greenhouse gases, increases in their concentrations could augment global warming due to larger future amounts of atmospheric CO2. To test the possible climatic impact of changes in tropospheric chemical composition, a zonal energy-balance climate model has been combined with a vertically averaged tropospheric chemical model. The latter model includes all relevant chemical reactions which affect species derived from H2O, O2, CH4, and NO(x). The climate model correspondingly incorporates changes in the infrared heating of the surface-troposphere system resulting from chemically induced changes in tropospheric ozone and methane. This coupled climate-chemical model indicates that global climate is sensitive to changes in emissions of CO, NO(x) and CH4, and that future increases in these emissions could augment global warming due to increasing atmospheric CO2.

Quantification of chemical transport processes from the soil to surface runoff.

Science.gov (United States)

Tian, Kun; Huang, Chi-Hua; Wang, Guang-Qian; Fu, Xu-Dong; Parker, Gary

2013-01-01

There is a good conceptual understanding of the processes that govern chemical transport from the soil to surface runoff, but few studies have actually quantified these processes separately. Thus, we designed a laboratory flow cell and experimental procedures to quantify the chemical transport from soil to runoff water in the following individual processes: (i) convection with a vertical hydraulic gradient, (ii) convection via surface flow or the Bernoulli effect, (iii) diffusion, and (iv) soil loss. We applied different vertical hydraulic gradients by setting the flow cell to generate different seepage or drainage conditions. Our data confirmed the general form of the convection-diffusion equation. However, we now have additional quantitative data that describe the contribution of each individual chemical loading process in different surface runoff and soil hydrological conditions. The results of this study will be useful for enhancing our understanding of different geochemical processes in the surface soil mixing zone. Copyright © by the American Society of Agronomy, Crop Science Society of America, and Soil Science Society of America, Inc.

On Production and Green Transportation Coordination in a Sustainable Global Supply Chain

Directory of Open Access Journals (Sweden)

Feng Guo

2017-11-01

Full Text Available This paper addresses a coordination problem of production and green transportation and the effects of production and transportation coordination on supply chain sustainability in a global supply chain environment with the consideration of important realistic characteristics, including parallel machines, different order processing complexities, fixed delivery departure times, green transportation and multiple transportation modes. We formulate the measurements for carbon emissions of different transportation modes, including air, sea and land transportation. A hybrid genetic algorithm-based optimization approach is developed to handle this problem, in which a hybrid genetic algorithm and heuristic procedures are combined. The effectiveness of the proposed approach is validated by means of various problem instances. We observe that the coordination of production and green transportation has a large effect on the overall supply chain sustainability, which can reduce the total supply chain cost by 9.60% to 21.90%.

A kinetic model for chemical reactions without barriers: transport coefficients and eigenmodes

International Nuclear Information System (INIS)

Alves, Giselle M; Kremer, Gilberto M; Marques, Wilson Jr; Soares, Ana Jacinta

2011-01-01

The kinetic model of the Boltzmann equation proposed in the work of Kremer and Soares 2009 for a binary mixture undergoing chemical reactions of symmetric type which occur without activation energy is revisited here, with the aim of investigating in detail the transport properties of the reactive mixture and the influence of the reaction process on the transport coefficients. Accordingly, the non-equilibrium solutions of the Boltzmann equations are determined through an expansion in Sonine polynomials up to the first order, using the Chapman–Enskog method, in a chemical regime for which the reaction process is close to its final equilibrium state. The non-equilibrium deviations are explicitly calculated for what concerns the thermal–diffusion ratio and coefficients of shear viscosity, diffusion and thermal conductivity. The theoretical and formal analysis developed in the present paper is complemented with some numerical simulations performed for different concentrations of reactants and products of the reaction as well as for both exothermic and endothermic chemical processes. The results reveal that chemical reactions without energy barrier can induce an appreciable influence on the transport properties of the mixture. Oppositely to the case of reactions with activation energy, the coefficients of shear viscosity and thermal conductivity become larger than those of an inert mixture when the reactions are exothermic. An application of the non-barrier model and its detailed transport picture are included in this paper, in order to investigate the dynamics of the local perturbations on the constituent number densities, and velocity and temperature of the whole mixture, induced by spontaneous internal fluctuations. It is shown that for the longitudinal disturbances there exist two hydrodynamic sound modes, one purely diffusive hydrodynamic mode and one kinetic mode

A kinetic model for chemical reactions without barriers: transport coefficients and eigenmodes

Science.gov (United States)

Alves, Giselle M.; Kremer, Gilberto M.; Marques, Wilson, Jr.; Jacinta Soares, Ana

2011-03-01

The kinetic model of the Boltzmann equation proposed in the work of Kremer and Soares 2009 for a binary mixture undergoing chemical reactions of symmetric type which occur without activation energy is revisited here, with the aim of investigating in detail the transport properties of the reactive mixture and the influence of the reaction process on the transport coefficients. Accordingly, the non-equilibrium solutions of the Boltzmann equations are determined through an expansion in Sonine polynomials up to the first order, using the Chapman-Enskog method, in a chemical regime for which the reaction process is close to its final equilibrium state. The non-equilibrium deviations are explicitly calculated for what concerns the thermal-diffusion ratio and coefficients of shear viscosity, diffusion and thermal conductivity. The theoretical and formal analysis developed in the present paper is complemented with some numerical simulations performed for different concentrations of reactants and products of the reaction as well as for both exothermic and endothermic chemical processes. The results reveal that chemical reactions without energy barrier can induce an appreciable influence on the transport properties of the mixture. Oppositely to the case of reactions with activation energy, the coefficients of shear viscosity and thermal conductivity become larger than those of an inert mixture when the reactions are exothermic. An application of the non-barrier model and its detailed transport picture are included in this paper, in order to investigate the dynamics of the local perturbations on the constituent number densities, and velocity and temperature of the whole mixture, induced by spontaneous internal fluctuations. It is shown that for the longitudinal disturbances there exist two hydrodynamic sound modes, one purely diffusive hydrodynamic mode and one kinetic mode.

A Coupled Chemical and Mass Transport Model for Concrete Durability

DEFF Research Database (Denmark)

Jensen, Mads Mønster; Johannesson, Björn; Geiker, Mette Rica

2012-01-01

-Raphson iteration scheme arising from the non-linearity. The overall model is a transient problem, solved using a single parameter formulation. The sorption hysteresis and chemical equilibrium is included as source or sink terms. The advantages with this formulation is that each node in the discrete system has...... their individual sorption hysteresis isotherm which is of great importance when describing non fully water saturated system e.g. caused by time depended boundary conditions. Chemical equilibrium is also established in each node of the discrete system, where the rate of chemical degradation is determined.......g. charge balance, from the mass transport calculation could cause the above mentioned numerical problems. Two different test cases are studied, the sorption hysteresis in different depth of the sample, caused by time depended boundary condition and the chemical degradation of the solid matrix in a ten year...

BETR-World: a geographically explicit model of chemical fate: application to transport of α-HCH to the Arctic

International Nuclear Information System (INIS)

Toose, L.; Woodfine, D.G.; MacLeod, M.; Mackay, D.; Gouin, J.

2004-01-01

The Berkeley-Trent (BETR)-World model, a 25 compartment, geographically explicit fugacity-based model is described and applied to evaluate the transport of chemicals from temperate source regions to receptor regions (such as the Arctic). The model was parameterized using GIS and an array of digital data on weather, oceans, freshwater, vegetation and geo-political boundaries. This version of the BETR model framework includes modification of atmospheric degradation rates by seasonally variable hydroxyl radical concentrations and temperature. Degradation rates in all other compartments vary with seasonally changing temperature. Deposition to the deep ocean has been included as a loss mechanism. A case study was undertaken for α-HCH. Dynamic emission scenarios were estimated for each of the 25 regions. Predicted environmental concentrations showed good agreement with measured values for the northern regions in air, and fresh and oceanic water and with the results from a previous model of global chemical fate. Potential for long-range transport and deposition to the Arctic region was assessed using a Transfer Efficiency combined with estimated emissions. European regions and the Orient including China have a high potential to contribute α-HCH contamination in the Arctic due to high rates of emission in these regions despite low Transfer Efficiencies. Sensitivity analyses reveal that the performance and reliability of the model is strongly influenced by parameters controlling degradation rates. - A geographically explicit multi-compartment model is applied to the transport of α-HCH to the Arctic, showing Europe and the Orient are key sources

Global restructuring of the CPM-2 transport algorithm for vector and parallel processing

International Nuclear Information System (INIS)

Vujic, J.L.; Martin, W.R.

1989-01-01

The CPM-2 code is an assembly transport code based on the collision probability (CP) method. It can in principle be applied to global reactor problems, but its excessive computational demands prevent this application. Therefore, a new transport algorithm for CPM-2 has been developed for vector-parallel architectures, which has resulted in an overall factor of 20 speedup (wall clock) on the IBM 3090-600E. This paper presents the detailed results of this effort as well as a brief description of ongoing effort to remove some of the modeling limitations in CPM-2 that inhibit its use for global applications, such as the use of the pure CP treatment and the assumption of isotropic scattering

Tracking the Global Distribution of Persistent Organic Pollutants Accounting for E-Waste Exports to Developing Regions.

Science.gov (United States)

Breivik, Knut; Armitage, James M; Wania, Frank; Sweetman, Andrew J; Jones, Kevin C

2016-01-19

Elevated concentrations of various industrial-use Persistent Organic Pollutants (POPs), such as polychlorinated biphenyls (PCBs), have been reported in some developing areas in subtropical and tropical regions known to be destinations of e-waste. We used a recent inventory of the global generation and exports of e-waste to develop various global scale emission scenarios for industrial-use organic contaminants (IUOCs). For representative IUOCs (RIUOCs), only hypothetical emissions via passive volatilization from e-waste were considered whereas for PCBs, historical emissions throughout the chemical life-cycle (i.e., manufacturing, use, disposal) were included. The environmental transport and fate of RIUOCs and PCBs were then simulated using the BETR Global 2.0 model. Export of e-waste is expected to increase and sustain global emissions beyond the baseline scenario, which assumes no export. A comparison between model predictions and observations for PCBs in selected recipient regions generally suggests a better agreement when exports are accounted for. This study may be the first to integrate the global transport of IUOCs in waste with their long-range transport in air and water. The results call for integrated chemical management strategies on a global scale.

STRATAQ: A three-dimensional Chemical Transport Model of the stratosphere

Directory of Open Access Journals (Sweden)

B. Grassi

2002-06-01

Full Text Available A three-dimensional (3-D Chemical Transport Model (CTM of the stratosphere has been developed and used for a test study of the evolution of chemical species in the arctic lower stratosphere during winter 1996/97. This particular winter has been chosen for testing the model’s capabilities for its remarkable dynamical situation (very cold and strong polar vortex along with the availability of sparse chlorine, HNO3 and O3 data, showing also very low O3 values in late March/April. Due to those unusual features, the winter 1996/97 can be considered an excellent example of the impact of both dynamics and heterogeneous reactions on the chemistry of the stratosphere. Model integration has been performed from January to March 1997 and the resulting long-lived and short-lived tracer fields compared with available measurements. The model includes a detailed gas phase chemical scheme and a parameterization of the heterogeneous reactions occurring on liquid aerosol and polar stratospheric cloud (PSC surfaces. The transport is calculated using a semi-lagrangian flux scheme, forced by meteorological analyses. In such form, the STRATAQ CTM model is suitable for short-term integrations to study transport and chemical evolution related to "real" meteorological situations. Model simulation during the chosen winter shows intense PSC formation, with noticeable local HNO3 capture by PSCs, and the activation of vortex air leading to chlorine production and subsequent O3 destruction. The resulting model fields show generally good agreement with satellite data (MLS and TOMS, although the available observations, due to their limited number and time/space sparse nature, are not enough to effectively constraint the model. In particular, the model seems to perform well in reproducing the rapid processing of air inside the polar vortex on PSC converting reservoir species in active chlorine. In addition, it satisfactorily reproduces the morphology of the continuous O3

STRATAQ: A three-dimensional Chemical Transport Model of the stratosphere

Directory of Open Access Journals (Sweden)

B. Grassi

Full Text Available A three-dimensional (3-D Chemical Transport Model (CTM of the stratosphere has been developed and used for a test study of the evolution of chemical species in the arctic lower stratosphere during winter 1996/97. This particular winter has been chosen for testing the model’s capabilities for its remarkable dynamical situation (very cold and strong polar vortex along with the availability of sparse chlorine, HNO₃ and O₃ data, showing also very low O₃ values in late March/April. Due to those unusual features, the winter 1996/97 can be considered an excellent example of the impact of both dynamics and heterogeneous reactions on the chemistry of the stratosphere. Model integration has been performed from January to March 1997 and the resulting long-lived and short-lived tracer fields compared with available measurements. The model includes a detailed gas phase chemical scheme and a parameterization of the heterogeneous reactions occurring on liquid aerosol and polar stratospheric cloud (PSC surfaces. The transport is calculated using a semi-lagrangian flux scheme, forced by meteorological analyses. In such form, the STRATAQ CTM model is suitable for short-term integrations to study transport and chemical evolution related to "real" meteorological situations. Model simulation during the chosen winter shows intense PSC formation, with noticeable local HNO₃ capture by PSCs, and the activation of vortex air leading to chlorine production and subsequent O₃ destruction. The resulting model fields show generally good agreement with satellite data (MLS and TOMS, although the available observations, due to their limited number and time/space sparse nature, are not enough to effectively constraint the model. In particular, the model seems to perform well in reproducing the rapid processing of air inside the polar vortex on PSC converting reservoir species in active chlorine. In addition, it

Global emission projections for the transportation sector using dynamic technology modeling

Science.gov (United States)

Yan, F.; Winijkul, E.; Streets, D. G.; Lu, Z.; Bond, T. C.; Zhang, Y.

2014-06-01

In this study, global emissions of gases and particles from the transportation sector are projected from the year 2010 to 2050. The Speciated Pollutant Emission Wizard (SPEW)-Trend model, a dynamic model that links the emitter population to its emission characteristics, is used to project emissions from on-road vehicles and non-road engines. Unlike previous models of global emission estimates, SPEW-Trend incorporates considerable detail on the technology stock and builds explicit relationships between socioeconomic drivers and technological changes, such that the vehicle fleet and the vehicle technology shares change dynamically in response to economic development. Emissions from shipping, aviation, and rail are estimated based on other studies so that the final results encompass the entire transportation sector. The emission projections are driven by four commonly-used IPCC (Intergovernmental Panel on Climate Change) scenarios (A1B, A2, B1, and B2). With global fossil-fuel use (oil and coal) in the transportation sector in the range of 128-171 EJ across the four scenarios, global emissions are projected to be 101-138 Tg of carbon monoxide (CO), 44-54 Tg of nitrogen oxides (NOx), 14-18 Tg of non-methane total hydrocarbons (THC), and 3.6-4.4 Tg of particulate matter (PM) in the year 2030. At the global level, a common feature of the emission scenarios is a projected decline in emissions during the first one or two decades (2010-2030), because the effects of stringent emission standards offset the growth in fuel use. Emissions increase slightly in some scenarios after 2030, because of the fast growth of on-road vehicles with lax or no emission standards in Africa and increasing emissions from non-road gasoline engines and shipping. On-road vehicles and non-road engines contribute the most to global CO and THC emissions, while on-road vehicles and shipping contribute the most to NOx and PM emissions. At the regional level, Latin America and East Asia are the two

Ozone impacts of gas-aerosol uptake in global chemistry transport models

Science.gov (United States)

Stadtler, Scarlet; Simpson, David; Schröder, Sabine; Taraborrelli, Domenico; Bott, Andreas; Schultz, Martin

2018-03-01

The impact of six heterogeneous gas-aerosol uptake reactions on tropospheric ozone and nitrogen species was studied using two chemical transport models, the Meteorological Synthesizing Centre-West of the European Monitoring and Evaluation Programme (EMEP MSC-W) and the European Centre Hamburg general circulation model combined with versions of the Hamburg Aerosol Model and Model for Ozone and Related chemical Tracers (ECHAM-HAMMOZ). Species undergoing heterogeneous reactions in both models include N2O5, NO3, NO2, O3, HNO3, and HO2. Since heterogeneous reactions take place at the aerosol surface area, the modelled surface area density (Sa) of both models was compared to a satellite product retrieving the surface area. This comparison shows a good agreement in global pattern and especially the capability of both models to capture the extreme aerosol loadings in east Asia. The impact of the heterogeneous reactions was evaluated by the simulation of a reference run containing all heterogeneous reactions and several sensitivity runs. One reaction was turned off in each sensitivity run to compare it with the reference run. The analysis of the sensitivity runs confirms that the globally most important heterogeneous reaction is the one of N2O5. Nevertheless, NO2, HNO3, and HO2 heterogeneous reactions gain relevance particularly in east Asia due to the presence of high NOx concentrations and high Sa in the same region. The heterogeneous reaction of O3 itself on dust is of minor relevance compared to the other heterogeneous reactions. The impacts of the N2O5 reactions show strong seasonal variations, with the biggest impacts on O3 in springtime when photochemical reactions are active and N2O5 levels still high. Evaluation of the models with northern hemispheric ozone surface observations yields a better agreement of the models with observations in terms of concentration levels, variability, and temporal correlations at most sites when the heterogeneous reactions are

A reaction-based paradigm to model reactive chemical transport in groundwater with general kinetic and equilibrium reactions

International Nuclear Information System (INIS)

Zhang, Fan; Yeh, Gour-Tsyh; Parker, Jack C.; Brooks, Scott C; Pace, Molly; Kim, Young Jin; Jardine, Philip M.; Watson, David B.

2007-01-01

This paper presents a reaction-based water quality transport model in subsurface flow systems. Transport of chemical species with a variety of chemical and physical processes is mathematically described by M. partial differential equations (PDEs). Decomposition via Gauss-Jordan column reduction of the reaction network transforms M. species reactive transport equations into two sets of equations: a set of thermodynamic equilibrium equations representing NE equilibrium reactions and a set of reactive transport equations of M-NE kinetic-variables involving no equilibrium reactions (a kinetic-variable is a linear combination of species). The elimination of equilibrium reactions from reactive transport equations allows robust and efficient numerical integration. The model solves the PDEs of kinetic-variables rather than individual chemical species, which reduces the number of reactive transport equations and simplifies the reaction terms in the equations. A variety of numerical methods are investigated for solving the coupled transport and reaction equations. Simulation comparisons with exact solutions were performed to verify numerical accuracy and assess the effectiveness of various numerical strategies to deal with different application circumstances. Two validation examples involving simulations of uranium transport in soil columns are presented to evaluate the ability of the model to simulate reactive transport with complex reaction networks involving both kinetic and equilibrium reactions

A reaction-based paradigm to model reactive chemical transport in groundwater with general kinetic and equilibrium reactions.

Science.gov (United States)

Zhang, Fan; Yeh, Gour-Tsyh; Parker, Jack C; Brooks, Scott C; Pace, Molly N; Kim, Young-Jin; Jardine, Philip M; Watson, David B

2007-06-16

This paper presents a reaction-based water quality transport model in subsurface flow systems. Transport of chemical species with a variety of chemical and physical processes is mathematically described by M partial differential equations (PDEs). Decomposition via Gauss-Jordan column reduction of the reaction network transforms M species reactive transport equations into two sets of equations: a set of thermodynamic equilibrium equations representing N(E) equilibrium reactions and a set of reactive transport equations of M-N(E) kinetic-variables involving no equilibrium reactions (a kinetic-variable is a linear combination of species). The elimination of equilibrium reactions from reactive transport equations allows robust and efficient numerical integration. The model solves the PDEs of kinetic-variables rather than individual chemical species, which reduces the number of reactive transport equations and simplifies the reaction terms in the equations. A variety of numerical methods are investigated for solving the coupled transport and reaction equations. Simulation comparisons with exact solutions were performed to verify numerical accuracy and assess the effectiveness of various numerical strategies to deal with different application circumstances. Two validation examples involving simulations of uranium transport in soil columns are presented to evaluate the ability of the model to simulate reactive transport with complex reaction networks involving both kinetic and equilibrium reactions.

The influence of vertical sorbed phase transport on the fate of organic chemicals in surface soils.

Science.gov (United States)

McLachlan, Michael S; Czub, Gertje; Wania, Frank

2002-11-15

Gaseous exchange between surface soil and the atmosphere is an important process in the environmental fate of many chemicals. It was hypothesized that this process is influenced by vertical transport of chemicals sorbed to soil particles. Vertical sorbed phase transport in surface soils occurs by many processes such as bioturbation, cryoturbation, and erosion into cracks formed by soil drying. The solution of the advection/diffusion equation proposed by Jury et al. to describe organic chemical fate in a uniformly contaminated surface soil was modified to include vertical sorbed phase transport This process was modeled using a sorbed phase diffusion coefficient, the value of which was derived from soil carbon mass balances in the literature. The effective diffusivity of the chemical in a typical soil was greater in the modified model than in the model without sorbed phase transport for compounds with log K(OW) > 2 and log K(OA) > 6. Within this chemical partitioning space, the rate of volatilization from the surface soil was larger in the modified model than in the original model by up to a factor of 65. The volatilization rate was insensitive to the value of the sorbed phase diffusion coefficient throughout much of this chemical partitioning space, indicating that the surface soil layer was essentially well-mixed and that the mass transfer coefficient was determined by diffusion through the atmospheric boundary layer only. When this process was included in a non-steady-state regional multimedia chemical fate model running with a generic emissions scenario to air, the predicted soil concentrations increased by upto a factor of 25,whilethe air concentrations decreased by as much as a factor of approximately 3. Vertical sorbed phase transport in the soil thus has a major impact on predicted air and soil concentrations, the state of equilibrium, and the direction and magnitude of the chemical flux between air and soil. It is a key process influencing the environmental

Transboundary health impacts of transported global air pollution and international trade

Energy Technology Data Exchange (ETDEWEB)

Zhang, Qiang; Jiang, Xujia; Tong, Dan; Davis, Steven J.; Zhao, Hongyan; Geng, Guannan; Feng, Tong; Zheng, Bo; Lu, Zifeng; Streets, David G.; Ni, Ruijing; Brauer, Michael; van Donkelaar, Aaron; Martin, Randall V.; Huo, Hong; Liu, Zhu; Pan, Da; Kan, Haidong; Yan, Yingying; Lin, Jintai; He, Kebin; Guan, Dabo

2017-03-29

Millions of people die every year from diseases caused by exposure to outdoor air pollution1, 2, 3, 4, 5. Some studies have estimated premature mortality related to local sources of air pollution6, 7, but local air quality can also be affected by atmospheric transport of pollution from distant sources8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18. International trade is contributing to the globalization of emission and pollution as a result of the production of goods (and their associated emissions) in one region for consumption in another region14, 19, 20, 21, 22. The effects of international trade on air pollutant emissions23, air quality14 and health24 have been investigated regionally, but a combined, global assessment of the health impacts related to international trade and the transport of atmospheric air pollution is lacking. Here we combine four global models to estimate premature mortality caused by fine particulate matter (PM2.5) pollution as a result of atmospheric transport and the production and consumption of goods and services in different world regions. We find that, of the 3.45 million premature deaths related to PM2.5 pollution in 2007 worldwide, about 12 per cent (411,100 deaths) were related to air pollutants emitted in a region of the world other than that in which the death occurred, and about 22 per cent (762,400 deaths) were associated with goods and services produced in one region for consumption in another. For example, PM2.5 pollution produced in China in 2007 is linked to more than 64,800 premature deaths in regions other than China, including more than 3,100 premature deaths in western Europe and the USA; on the other hand, consumption in western Europe and the USA is linked to more than 108,600 premature deaths in China. Our results reveal that the transboundary health impacts of PM2.5 pollution associated with international trade are greater than those associated with long-distance atmospheric pollutant transport.

Effect of chemical and physical heterogeneities on colloid-facilitated cesium transport

Science.gov (United States)

Rod, Kenton; Um, Wooyong; Chun, Jaehun; Wu, Ning; Yin, Xialong; Wang, Guohui; Neeves, Keith

2018-06-01

A set of column experiments was conducted to investigate the chemical and physical heterogeneity effect on colloid facilitated transport under slow pore velocity conditions. Pore velocities were kept below 100 cm d-1 for all experiments. Glass beads were packed into columns establishing four different conditions: 1) homogeneous, 2) mixed physical heterogeneity, 3) sequentially layered physical heterogeneity, and 4) chemical heterogeneity. The homogeneous column was packed with glass beads (diameter 500-600 μm), and physical heterogeneities were created by sequential layering or mixing two sizes of glass bead (500-600 μm and 300-400 μm). A chemical heterogeneity was created using 25% of the glass beads coated with hydrophobic molecules (1H-1H-2H-2H-perfluorooctyltrichlorosilane) mixed with 75% pristine glass beads (all 500-600 μm). Input solution with 0.5 mM CsI and 50 mg L-1 colloids (1-μm diameter SiO2) was pulsed into columns under saturated conditions. The physical heterogeneity in the packed glass beads retarded the transport of colloids compared to homogeneous (R = 25.0), but showed only slight differences between sequentially layered (R = 60.7) and mixed heterogeneity(R = 62.4). The column with the chemical, hydrophobic/hydrophilic, heterogeneity removed most of the colloids from the input solution. All column conditions stripped Cs from colloids onto the column matrix of packed glass beads.

Meridional transport of salt in the global ocean from an eddy-resolving model

Science.gov (United States)

Treguier, A. M.; Deshayes, J.; Le Sommer, J.; Lique, C.; Madec, G.; Penduff, T.; Molines, J.-M.; Barnier, B.; Bourdalle-Badie, R.; Talandier, C.

2014-04-01

The meridional transport of salt is computed in a global eddy-resolving numerical model (1/12° resolution) in order to improve our understanding of the ocean salinity budget. A methodology is proposed that allows a global analysis of the salinity balance in relation to surface water fluxes, without defining a "freshwater anomaly" based on an arbitrary reference salinity. The method consists of a decomposition of the meridional transport into (i) the transport by the time-longitude-depth mean velocity, (ii) time-mean velocity recirculations and (iii) transient eddy perturbations. Water is added (rainfall and rivers) or removed (evaporation) at the ocean surface at different latitudes, which creates convergences and divergences of mass transport with maximum and minimum values close to ±1 Sv. The resulting meridional velocity effects a net transport of salt at each latitude (±30 Sv PSU), which is balanced by the time-mean recirculations and by the net effect of eddy salinity-velocity correlations. This balance ensures that the total meridional transport of salt is close to zero, a necessary condition for maintaining a quasi-stationary salinity distribution. Our model confirms that the eddy salt transport cannot be neglected: it is comparable to the transport by the time-mean recirculation (up to 15 Sv PSU) at the poleward and equatorial boundaries of the subtropical gyres. Two different mechanisms are found: eddy contributions are localized in intense currents such as the Kuroshio at the poleward boundary of the subtropical gyres, while they are distributed across the basins at the equatorward boundaries. Closer to the Equator, salinity-velocity correlations are mainly due to the seasonal cycle and large-scale perturbations such as tropical instability waves.

Lessons learned in building a global information network on chemicals (GINC)

International Nuclear Information System (INIS)

Kaminuma, Tsuguchika

2005-01-01

The Global Information Network on Chemicals (GINC) was a project to construct a worldwide information network linking international, national, and other organizations working for the safe management of chemicals. Proposed in 1993, the project started the next year and lasted almost 10 years. It was begun as a joint project of World Health Organization (WHO), International Labor Organization (ILO), and United Nations Environment Program (UNEP), and later endorsed by the Intergovernmental Forum on Chemical Safety (IFCS). Asia, particularly East Asia and the Pacific islands, was chosen as the feasibility study region. The author's group then at the National Institute of Health Sciences (NIHS) of Japan led this initiative and hosted numerous meetings. At these meetings, tutorial sessions for communicating chemical safety expertise and emerging new information technologies relevant to the safe management of chemicals were offered. Our experience with this project, particularly the Web-based system and the tutorial sessions, may be of use to others involved with Web-based instruction and the training of chemical safety specialists from both developed and developing countries

Investigating fire emissions and smoke transport during the Summer of 2013 using an operational smoke modeling system and chemical transport model

Science.gov (United States)

ONeill, S. M.; Chung, S. H.; Wiedinmyer, C.; Larkin, N. K.; Martinez, M. E.; Solomon, R. C.; Rorig, M.

2014-12-01

Emissions from fires in the Western US are substantial and can impact air quality and regional climate. Many methods exist that estimate the particulate and gaseous emissions from fires, including those run operationally for use with chemical forecast models. The US Forest Service Smartfire2/BlueSky modeling framework uses satellite data and reported information about fire perimeters to estimate emissions of pollutants to the atmosphere. The emission estimates are used as inputs to dispersion models, such as HYSPLIT, and chemical transport models, such as CMAQ and WRF-Chem, to assess the chemical and physical impacts of fires on the atmosphere. Here we investigate the use of Smartfire2/BlueSky and WRF-Chem to simulate emissions from the 2013 fire summer fire season, with special focus on the Rim Fire in northern California. The 2013 Rim Fire ignited on August 17 and eventually burned more than 250,000 total acres before being contained on October 24. Large smoke plumes and pyro-convection events were observed. In this study, the Smartfire2/BlueSky operational emission estimates are compared to other estimation methods, such as the Fire INventory from NCAR (FINN) and other global databases to quantify variations in emission estimation methods for this wildfire event. The impact of the emissions on downwind chemical composition is investigated with the coupled meteorology-chemistry WRF-Chem model. The inclusion of aerosol-cloud and aerosol-radiation interactions in the model framework enables the evaluation of the downwind impacts of the fire plume. The emissions and modeled chemistry can also be evaluated with data collected from the Studies of Emissions and Atmospheric Composition, Clouds and Climate Coupling by Regional Surveys (SEAC4RS) aircraft field campaign, which intersected the fire plume.

CONSISTENT USE OF THE KALMAN FILTER IN CHEMICAL TRANSPORT MODELS (CTMS) FOR DEDUCING EMISSIONS

Science.gov (United States)

Past research has shown that emissions can be deduced using observed concentrations of a chemical, a Chemical Transport Model (CTM), and the Kalman filter in an inverse modeling application. An expression was derived for the relationship between the "observable" (i.e., the con...

Global transportation cost modeling for long range planning

International Nuclear Information System (INIS)

Pope, R.B.; Michelhaugh, R.D.; Singley, P.T.; Lester, P.B.

1998-01-01

The U.S. Department of Energy (DOE) is preparing to perform significant remediation activities of the sites for which it is responsible. To accomplish this, it is preparing a corporate global plan focused on activities over the next decade. Significant in these planned activities is the transportation of the waste arising from the remediation. The costs of this transportation are expected to be large. To support the initial assessment of the plan, a cost-estimating model was developed, peer-reviewed against other available packaging and transportation cost data, and applied to significant number of shipping campaigns of radioactive waste. This cost-estimating model, known as the TEn-year Plan TRAnsportation cost Model (TEPTRAM), can be used to model radioactive material shipments between DOE sites or from DOE sites to non-DOE destinations. The model considers the costs for recovering and processing of the wastes, packaging the wastes for transport, and the carriage of the waste. It also provides a rough order-of-magnitude estimate of labor costs associated with preparing nd undertaking the shipments. At the user's direction, the model can also consider the cost of DOE's interactions with its external stakeholders (e.g., state and local governments and tribal entities) and the cost associated with tracking and communicating with the shipments. By considering all of these sources of costs, it provides a mechanism for assessing and comparing the costs of various waste processing and shipping campaign alternatives to help guide decision-making. Recent analyses of specific planned shipments of transuranic (TRU) waste which consider alternative packaging options are described. These analyses show that options are available for significantly reducing total costs while still satisfying regulatory requirements. (authors)

International Maritime Transport Sector Regulation Systems and their Impact on World Shipping and Global Trade

Directory of Open Access Journals (Sweden)

Andrzej Grzelakowski

2013-09-01

Full Text Available The main purpose of the paper is to analyze the impact of two nowadays existing global regulatory systems of the world maritime transport sector on international shipping industry and global trade development. The author has focused on the characterization of the autonomous regulatory system represented in this sector by freight market with typical for it mechanism as well as on public regulatory system expressed in form of the existing international regulatory scheme introduced by IMO and other international organizations. Both regulatory mechanisms has been analyzed and viewed in terms of efficiency and effectiveness of their influence upon shipping industry and global commodity markets. At the end, the results of functioning of both regulatory subsystems have been assessed with the aim to indicate how they are able to create growth potential for the world maritime transport and trade sector as well as the global economy.

The global chemical systematics of arc front stratovolcanoes: Evaluating the role of crustal processes

Science.gov (United States)

Turner, Stephen J.; Langmuir, Charles H.

2015-07-01

Petrogenetic models for convergent margins should be consistent with the global systematics of convergent margin volcanic compositions. A newly developed tool for compiling and screening data from the GEOROC database was used to generate a global dataset of whole rock chemical analyses from arc front stratovolcano samples. Data from 227 volcanoes within 31 volcanic arc segments were first averaged by volcano and then by arc to explore global systematics. Three different methods of data normalization produce consistent results that persist across a wide range of Mg# [Mg# =Mg / (Mg +Fe) ]. Remarkably coherent systematics are present among major and trace element concentrations and ratios, with the exception of three arcs influenced by mantle plumes and Peru/N. Chile, which is built on exceptionally thick crust. Chemical parameters also correlate with the thickness of the overlying arc crust. In addition to previously established correlations of Na6.0 with Ca6.0 and crustal thickness, correlations are observed among major elements, trace elements, and trace element ratios (e.g. La/Yb, Dy/Yb, Zr/Sm, Zr/Ti). Positive correlations include "fluid mobile," "high field strength," and "large ion lithophile" element groups, with concentrations that vary by a factor of five in all groups. Incompatible element enrichments also correlate well with crustal thickness, with the greatest enrichment found at arcs with the thickest crust. Intra-crustal processes, however, do not reproduce the global variations. High pressure fractionation produces intermediate magmas enriched in aluminum, but such magmas are rare. Furthermore, differences among magma compositions at various volcanic arcs persist from primitive to evolved compositions, which is inconsistent with the possibility that global variations are produced by crystal fractionation at any pressure. Linear relationships among elements appear to be consistent with mixing between depleted primary magma and an enriched contaminant

Simulation of uranium transport with variable temperature and oxidation potential: The computer program THCC [Thermo-Hydro-Chemical Coupling

International Nuclear Information System (INIS)

Carnahan, C.L.

1986-12-01

A simulator of reactive chemical transport has been constructed with the capabilities of treating variable temperatures and variable oxidation potentials within a single simulation. Homogeneous and heterogeneous chemical reactions are simulated at temperature-dependent equilibrium, and changes of oxidation states of multivalent elements can be simulated during transport. Chemical mass action relations for formation of complexes in the fluid phase are included explicitly within the partial differential equations of transport, and a special algorithm greatly simplifies treatment of reversible precipitation of solid phases. This approach allows direct solution of the complete set of governing equations for concentrations of all aqueous species and solids affected simultaneously by chemical and physical processes. Results of example simulations of transport, along a temperature gradient, of uranium solution species under conditions of varying pH and oxidation potential and with reversible precipitation of uraninite and coffinite are presented. The examples illustrate how inclusion of variable temperature and oxidation potential in numerical simulators can enhance understanding of the chemical mechanisms affecting migration of multivalent waste elements

Long term energy and emission implications of a global shift to electricity-based public rail transportation system

International Nuclear Information System (INIS)

Chaturvedi, Vaibhav; Kim, Son H.

2015-01-01

With high reliance on light-duty vehicles in the present, the future of global transportation system is also geared towards private modes, which has significant energy and emission implications. Public transportation has been argued as an alternative strategy for meeting the rising transportation demands of the growing world, especially the poor, in a sustainable and energy efficient way. The present study analyzes an important yet under-researched question – what are the long-term energy and emission implications of an electric rail based passenger transportation system for meeting both long and short distance passenter transportation needs? We analyze a suite of electric rail share scenarios with and without climate policy. In the reference scenario, the transportation system will evolve towards dominance of fossil based light-duty vehicles. We find that an electric rail policy is more successful than an economy wide climate policy in reducing transport sector energy demand and emissions. Economy wide emissions however can only be reduced through a broader climate policy, the cost of which can be reduced by hundreds of billions of dollars across the century when implemented in combination with the transport sector focused electric rail policy. Moreover, higher share of electric rail enhances energy security for oil importing nations and reduces vehicular congestion and road infrastructure requirement as well. -- Highlights: •Economy wide carbon price policy will have little impact on transportation emissions. •Focused energy and emission mitigation policies required for transportation sector. •Large global shift towards electric rail based public transport is one possible option. •Transport sector focused policy will have marginal impact on total global emissions. •A combined transport sector and economy wide policy can reduce costs significantly

Photo-chemical transport modelling of tropospheric ozone: A review

Science.gov (United States)

Sharma, Sumit; Sharma, Prateek; Khare, Mukesh

2017-06-01

Ground level ozone (GLO), a secondary pollutant having adverse impact on human health, ecology, and agricultural productivity, apart from being a major contributor to global warming, has been a subject matter of several studies. In order to identify appropriate strategies to control GLO levels, accurate assessment and prediction is essential, for which elaborate simulation and modelling is required. Several studies have been undertaken in the past to simulate GLO levels at different scales and for various applications. It is important to evaluate these studies, widely spread over in literature. This paper aims to critically review various studies that have been undertaken, especially in the past 15 years (2000-15) to model GLO. The review has been done of the studies that range over different spatial scales - urban to regional and continental to global. It also includes a review of performance evaluation and sensitivity analysis of photo-chemical transport models in order to assess the extent of application of these models and their predictive capability. The review indicates following major findings: (a) models tend to over-estimate the night-time GLO concentrations due to limited titration of GLO with NO within the model; (b) dominance of contribution from far-off regional sources to average ozone concentration in the urban region and higher contribution of local sources during days of high ozone episodes; requiring strategies for controlling precursor emissions at both regional and local scales; (c) greater influence of NOx over VOC in export of ozone from urban regions due to shifting of urban plumes from VOC-sensitive regime to NOx-sensitive as they move out from city centres to neighbouring rural regions; (d) models with finer resolution inputs perform better to a certain extent, however, further improvement in resolutions (beyond 10 km) did not show improvement always; (e) future projections show an increase in GLO concentrations mainly due to rise in

Coal lumps vs. electrons: How do Chinese bulk energy transport decisions affect the global steam coal market?

International Nuclear Information System (INIS)

Paulus, Moritz; Trüby, Johannes

2011-01-01

This paper demonstrates the ways in which different Chinese bulk energy transport strategies affect the future steam coal market in China and in the rest of the world. An increase in Chinese demand for steam coal will lead to a growing need for additional domestic infrastructure as production hubs and demand centers are spatially separated, and domestic transport costs could influence the future Chinese steam coal supply mix. If domestic transport capacity is available only at elevated costs, Chinese power generators could turn to the global trade markets and further increase steam coal imports. Increased Chinese imports could then yield significant changes in steam coal market economics on a global scale. This effect is analyzed in China, where coal is mainly transported by railway, and in another setting where coal energy is transported as electricity. For this purpose, a spatial equilibrium model for the global steam coal market has been developed. One major finding is that if coal is converted into electricity early in the supply chain, worldwide marginal costs of supply are lower than if coal is transported via railway. Furthermore, China's dependence on international imports is significantly reduced in this context. Allocation of welfare changes particularly in favor of Chinese consumers while rents of international producers decrease.

Chemical engineering challenges and investment opportunities in sustainable energy.

Science.gov (United States)

Heller, Adam

2008-01-01

The chemical and energy industries are transforming as they adjust to the new era of high-priced petroleum and severe global warming. As a result of the transformation, engineering challenges and investment opportunities abound. Rapid evolution and fast growth are expected in cathode and anode materials as well as polymeric electrolytes for vehicular batteries and in high-performance polymer-ceramic composites for wind turbines, fuel-efficient aircraft, and lighter and safer cars. Unique process-engineering opportunities exist in sand-oil, coal, and possibly also shale liquefaction to produce transportation fuel; and also in genetic engineering of photosynthesizing plants and other organisms for their processing into high-performance biodegradable polymers and high-value-added environmentally friendly chemicals. Also, research on the feasibility of mitigation of global warming through enhancement of CO(2) uptake by the southern oceans by fertilization with trace amounts of iron is progressing. Because chemical engineers are uniquely well trained in mathematical modeling of mass transport, flow, and mixing, and also in cost analysis, they are likely to join the oceanographers and marine biologists in this important endeavor.

Assessment and Applications of NASA Ozone Data Products Derived from Aura OMI-MLS Satellite Measurements in Context of the GMI Chemical Transport Model

Science.gov (United States)

Ziemke, J. R.; Olsen, M. A.; Witte, J. C.; Douglass, A. R.; Strahan, S. E.; Wargan, K.; Liu, X.; Schoeberl, M. R.; Yang, K.; Kaplan, T. B.;

Implications of global climate change for the assessment and management of human health risks of chemicals in the natural environment.

Science.gov (United States)

Balbus, John M; Boxall, Alistair B A; Fenske, Richard A; McKone, Thomas E; Zeise, Lauren

2013-01-01

Global climate change (GCC) is likely to alter the degree of human exposure to pollutants and the response of human populations to these exposures, meaning that risks of pollutants could change in the future. The present study, therefore, explores how GCC might affect the different steps in the pathway from a chemical source in the environment through to impacts on human health and evaluates the implications for existing risk-assessment and management practices. In certain parts of the world, GCC is predicted to increase the level of exposure of many environmental pollutants due to direct and indirect effects on the use patterns and transport and fate of chemicals. Changes in human behavior will also affect how humans come into contact with contaminated air, water, and food. Dietary changes, psychosocial stress, and coexposure to stressors such as high temperatures are likely to increase the vulnerability of humans to chemicals. These changes are likely to have significant implications for current practices for chemical assessment. Assumptions used in current exposure-assessment models may no longer apply, and existing monitoring methods may not be robust enough to detect adverse episodic changes in exposures. Organizations responsible for the assessment and management of health risks of chemicals therefore need to be more proactive and consider the implications of GCC for their procedures and processes. Copyright © 2012 SETAC.

Cellular automaton model of mass transport with chemical reactions

International Nuclear Information System (INIS)

Karapiperis, T.; Blankleider, B.

1993-10-01

The transport and chemical reactions of solutes are modelled as a cellular automaton in which molecules of different species perform a random walk on a regular lattice and react according to a local probabilistic rule. The model describes advection and diffusion in a simple way, and as no restriction is placed on the number of particles at a lattice site, it is also able to describe a wide variety of chemical reactions. Assuming molecular chaos and a smooth density function, we obtain the standard reaction-transport equations in the continuum limit. Simulations on one-and two-dimensional lattices show that the discrete model can be used to approximate the solutions of the continuum equations. We discuss discrepancies which arise from correlations between molecules and how these discrepancies disappear as the continuum limit is approached. Of particular interest are simulations displaying long-time behaviour which depends on long-wavelength statistical fluctuations not accounted for by the standard equations. The model is applied to the reactions a + b ↔ c and a + b → c with homogeneous and inhomogeneous initial conditions as well as to systems subject to autocatalytic reactions and displaying spontaneous formation of spatial concentration patterns. (author) 9 figs., 34 refs

Environmental fate and transport of chemical signatures from buried landmines -- Screening model formulation and initial simulations

Energy Technology Data Exchange (ETDEWEB)

Phelan, J.M.; Webb, S.W.

1997-06-01

The fate and transport of chemical signature molecules that emanate from buried landmines is strongly influenced by physical chemical properties and by environmental conditions of the specific chemical compounds. Published data have been evaluated as the input parameters that are used in the simulation of the fate and transport processes. A one-dimensional model developed for screening agricultural pesticides was modified and used to simulate the appearance of a surface flux above a buried landmine, estimate the subsurface total concentration, and show the phase specific concentrations at the ground surface. The physical chemical properties of TNT cause a majority of the mass released to the soil system to be bound to the solid phase soil particles. The majority of the transport occurs in the liquid phase with diffusion and evaporation driven advection of soil water as the primary mechanisms for the flux to the ground surface. The simulations provided herein should only be used for initial conceptual designs of chemical pre-concentration subsystems or complete detection systems. The physical processes modeled required necessary simplifying assumptions to allow for analytical solutions. Emerging numerical simulation tools will soon be available that should provide more realistic estimates that can be used to predict the success of landmine chemical detection surveys based on knowledge of the chemical and soil properties, and environmental conditions where the mines are buried. Additional measurements of the chemical properties in soils are also needed before a fully predictive approach can be confidently applied.

Chemical vapour transport of pyrite (FeS 2) with halogen (Cl, Br, I)

Science.gov (United States)

Fiechter, S.; Mai, J.; Ennaoui, A.; Szacki, W.

1986-12-01

A systematic study of chemical vapour transport (CVT) of pyrite with halogen, hydrogen halides and ammonium halides as transporting agents has shown that the transport with chlorine and bromine in a temperature gradient Δ T = 920-820 K yields the highest transport rates (˜6 mg/h) with crystals up to 5 mm edge length. Computing thermochemical equilibria and flux functions in the system Fe-S-Hal (Hal = Cl, Br, I) it has been confirmed that the transport velocity of pyrite is limited by the concentration of FeHal 2 in the vapour phase, the equilibrium position between FeHal 2(g) and FeHal 3(g) and the flux directions of the iron gas species.

Detailed assessment of global transport-energy models’ structures and projections

Energy Technology Data Exchange (ETDEWEB)

Yeh, Sonia; Mishra, Gouri Shankar; Fulton, Lew; Kyle, Page; McCollum, David L.; Miller, Joshua; Cazzola, Pierpaolo; Teter, Jacob

2017-08-01

This paper focuses on comparing the frameworks and projections from four major global transportation models with considerable transportation technology and behavioral detail. We analyze and compare the modeling frameworks, underlying data, assumptions, intermediate parameters, and projections to identify the sources of divergence or consistency, as well as key knowledge gaps. We find that there are significant differences in the base-year data and key parameters for future projections, especially for developing countries. These include passenger and freight activity, mode shares, vehicle ownership rates, and even energy consumption by mode, particularly for shipping, aviation and trucking. This may be due in part to a lack of previous efforts to do such consistency-checking and “bench-marking.” We find that the four models differ in terms of the relative roles of various mitigation strategies to achieve a 2°C / 450 ppm CO2e target: the economics-based integrated assessment models favor the use of low carbon fuels as the primary mitigation option followed by efficiency improvements, whereas transport-only and expert-based models favor efficiency improvements of vehicles followed by mode shifts. We offer recommendations for future modeling improvements focusing on (1) reducing data gaps; (2) translating the findings from this study into relevant policy implications such as feasibility of current policy goals, additional policy targets needed, regional vs. global reductions, etc.; (3) modeling strata of demographic groups to improve understanding of vehicle ownership levels, travel behavior, and urban vs. rural considerations; and (4) conducting coordinated efforts in aligning input assumptions and historical data, policy analysis, and modeling insights.

Global transportation cost modeling for long-range planning

International Nuclear Information System (INIS)

Pope, R.B.; Michelhaugh, R.D.; Singley, P.T.; Lester, P.B.

1998-02-01

The US Department of Energy (DOE) is preparing to perform significant remediation activities of the sites for which it is responsible. To accomplish this, it is preparing a corporate global plan focused on activities over the next decade. Significant in these planned activities is the transportation of the waste arising from the remediation. The costs of this transportation are expected to be large. To support the initial assessment of the plan, a cost estimating model was developed, peer-reviewed against other available packaging and transportation cost data, and applied to a significant number of shipping campaigns of radioactive waste. This cost estimating model, known as the Ten-year Plan Transportation Cost Model (TEPTRAM), can be used to model radioactive material shipments between DOE sites or from DOE sites to non-DOE destinations. The model considers the costs for (a) recovering and processing of the wastes, (b)packaging the wastes for transport, and (c) the carriage of the waste. It also provides a rough order of magnitude estimate of labor costs associated with preparing and undertaking the shipments. At the user's direction, the model can also consider the cost of DOE's interactions with its external stakeholders (e.g., state and local governments and tribal entities) and the cost associated with tracking and communicating with the shipments. By considering all of these sources of costs, it provides a mechanism for assessing and comparing the costs of various waste processing and shipping campaign alternatives to help guide decision-making. Recent analyses of specific planned shipments of transuranic (TRU) waste which consider alternative packaging options are described. These analyses show that options are available for significantly reducing total costs while still satisfying regulatory requirements

Chemical Evidence for Vertical Transport from Magma Chambers to the Surface During Mid-Ocean Ridge Volcanic Eruptions

Science.gov (United States)

Sinton, J. M.; Rubin, K. H.

2009-12-01

Many mid-ocean ridge eruptions show significant internal chemical heterogeneity; in general, the amount of chemical heterogeneity within eruptions scales with erupted volume. These variations reflect magmatic processes occurring in magma reservoirs prior to or possibly during eruption. For example, systematic variations in Mg# with along-axis distance in the early 90’s Aldo-Kihi (S. EPR near 17.5°S), 1996 N. Gorda, 1993 Co-Axial (Juan de Fuca Ridge), and 1991-2 and 2005-6 9°50’N EPR eruptions is unlikely to be related to fractionation during emplacement, and rather reflects variations in sub-axial magma reservoirs prior to eruption. Such variations are inconsistent with well-mixed sub-axial reservoirs and, in some cases, require relatively long-lived, systematic variations in reservoir temperatures along axis. Chemical heterogeneity within the Aldo-Kihi eruption preserves spatial variations in mantle-derived isotopic and trace element ratios with implications for the temporal and spatial scales of magma injections to the crust and along-axis mixing within shallow reservoirs. These spatial variations are difficult to reconcile with significant (> ~1 km) along-axis magma transport, as are striking correlations of chemical compositions with surface geological discontinuities or seismically imaged sub-axial magma chamber reflectors in the S. Hump (S. EPR), 9°50’N EPR, N. Gorda and 1975-1984 Krafla (N. Iceland) eruptive units. Rather, spatial correlations between surface lava compositions and sub-axial magma chamber properties or long-lived axial morphology suggest that most of the erupted magma was transported nearly vertically from the underlying reservoirs to the surface during these eruptions. In the case of the Krafla eruption, coincident deformation suggests a component of lateral melt migration at depth, despite chemical evidence for vertical transport of erupted lava from more than one chemical reservoir. In addition, along-ridge movement of earthquake

Electromechanical and Chemical Sensing at the Nanoscale: DFT and Transport Modeling

Science.gov (United States)

Maiti, Amitesh

Of the many nanoelectronic applications proposed for near to medium-term commercial deployment, sensors based on carbon nanotubes (CNT) and metal-oxide nanowires are receiving significant attention from researchers. Such devices typically operate on the basis of the changes of electrical response characteristics of the active component (CNT or nanowire) when subjected to an externally applied mechanical stress or the adsorption of a chemical or bio-molecule. Practical development of such technologies can greatly benefit from quantum chemical modeling based on density functional theory (DFT), and from electronic transport modeling based on non-equilibrium Green's function (NEGF). DFT can compute useful quantities like possible bond-rearrangements, binding energy, charge transfer, and changes to the electronic structure, while NEGF can predict changes in electronic transport behavior and contact resistance. Effects of surrounding medium and intrinsic structural defects can also be taken into account. In this work we review some recent DFT and transport investigations on (1) CNT-based nano-electromechanical sensors (NEMS) and (2) gas-sensing properties of CNTs and metal-oxide nanowires. We also briefly discuss our current understanding of CNT-metal contacts which, depending upon the metal, the deposition technique, and the masking method can have a significant effect on device performance.

Global charcoal mobilization from soils via dissolution and riverine transport to the oceans.

Science.gov (United States)

Jaffé, Rudolf; Ding, Yan; Niggemann, Jutta; Vähätalo, Anssi V; Stubbins, Aron; Spencer, Robert G M; Campbell, John; Dittmar, Thorsten

2013-04-19

Global biomass burning generates 40 million to 250 million tons of charcoal every year, part of which is preserved for millennia in soils and sediments. We have quantified dissolution products of charcoal in a wide range of rivers worldwide and show that globally, a major portion of the annual charcoal production is lost from soils via dissolution and subsequent transport to the ocean. The global flux of soluble charcoal accounts to 26.5 ± 1.8 million tons per year, which is ~10% of the global riverine flux of dissolved organic carbon (DOC). We suggest that the mobilization of charcoal and DOC out of soils is mechanistically coupled. This study closes a major gap in the global charcoal budget and provides critical information in the context of geoengineering.

Transport and Reactivity of Decontaminants to Provide Hazard Mitigation of Chemical Warfare Agents from Materials

Science.gov (United States)

2016-06-01

2013 4. TITLE AND SUBTITLE Transport and Reactivity of Decontaminants to Provide Hazard Mitigation of Chemical Warfare Agents from Materials 5a...directions for future decontamination formulation approaches. 15. SUBJECT TERMS GD HD Decontamination Hazard mitigation VX Chemical warfare agent... DECONTAMINANTS TO PROVIDE HAZARD MITIGATION OF CHEMICAL WARFARE AGENTS FROM MATERIALS 1. INTRODUCTION Decontamination of materials is the

Ozone Production in Global Tropospheric Models: Quantifying Errors due to Grid Resolution

Science.gov (United States)

Wild, O.; Prather, M. J.

2005-12-01

Ozone production in global chemical models is dependent on model resolution because ozone chemistry is inherently nonlinear, the timescales for chemical production are short, and precursors are artificially distributed over the spatial scale of the model grid. In this study we examine the sensitivity of ozone, its precursors, and its production to resolution by running a global chemical transport model at four different resolutions between T21 (5.6° × 5.6°) and T106 (1.1° × 1.1°) and by quantifying the errors in regional and global budgets. The sensitivity to vertical mixing through the parameterization of boundary layer turbulence is also examined. We find less ozone production in the boundary layer at higher resolution, consistent with slower chemical production in polluted emission regions and greater export of precursors. Agreement with ozonesonde and aircraft measurements made during the NASA TRACE-P campaign over the Western Pacific in spring 2001 is consistently better at higher resolution. We demonstrate that the numerical errors in transport processes at a given resolution converge geometrically for a tracer at successively higher resolutions. The convergence in ozone production on progressing from T21 to T42, T63 and T106 resolution is likewise monotonic but still indicates large errors at 120~km scales, suggesting that T106 resolution is still too coarse to resolve regional ozone production. Diagnosing the ozone production and precursor transport that follow a short pulse of emissions over East Asia in springtime allows us to quantify the impacts of resolution on both regional and global ozone. Production close to continental emission regions is overestimated by 27% at T21 resolution, by 13% at T42 resolution, and by 5% at T106 resolution, but subsequent ozone production in the free troposphere is less significantly affected.

Chemical factors affecting fission product transport in severe LMFBR accidents

International Nuclear Information System (INIS)

Wichner, R.P.; Jolley, R.L.; Gat, U.; Rodgers, B.R.

1984-10-01

This study was performed as a part of a larger evaluation effort on LMFBR accident, source-term estimation. Purpose was to provide basic chemical information regarding fission product, sodium coolant, and structural material interactions required to perform estimation of fission product transport under LMFBR accident conditions. Emphasis was placed on conditions within the reactor vessel; containment vessel conditions are discussed only briefly

Protecting public health and global freight transportation systems during an influenza pandemic.

Science.gov (United States)

Luke, Thomas C; Rodrigue, Jean-Paul

2008-01-01

The H5N1 influenza threat is resulting in global preparations for the next influenza pandemic. Pandemic influenza planners are prioritizing scarce vaccine, antivirals, and public health support for different segments of society. The freight, bulk goods, and energy transportation network comprise the maritime, rail, air, and trucking industries. It relies on small numbers of specialized workers who cannot be rapidly replaced if lost due to death, illness, or voluntary absenteeism. Because transportation networks link economies, provide critical infrastructures with working material, and supply citizens with necessary commodities, disrupted transportation systems can lead to cascading failures in social and economic systems. However, some pandemic influenza plans have assigned transportation workers a low priority for public health support, vaccine, and antivirals. The science of Transportation Geography demonstrates that transportation networks and workers are concentrated at, or funnel through, a small number of chokepoints and corridors. Chokepoints should be used to rapidly and efficiently vaccinate and prophylax the transportation worker cohort and to implement transmission prevention measures and thereby protect the ability to move goods. Nations, states, the transportation industry and unions, businesses, and other stakeholders must plan, resource, and exercise, and then conduct a transportation health assurance and security campaign for an influenza pandemic.

Atmospheric transport of persistent semi-volatile organic chemicals to the Arctic and cold condensation in the mid-troposphere – Part 1: 2-D modeling in mean atmosphere

Directory of Open Access Journals (Sweden)

J. Ma

2010-08-01

Full Text Available In the first part of this study for revisiting the cold condensation effect on global distribution of semi-volatile organic chemicals (SVOCs, the atmospheric transport of SVOCs to the Arctic in the mid-troposphere in a mean meridional atmospheric circulation over the Northern Hemisphere was simulated by a two-dimensional (2-D atmospheric transport model. Results show that under the mean meridional atmospheric circulation the long-range atmospheric transport of SVOCs from warm latitudes to the Arctic occurs primarily in the mid-troposphere. Although major sources are in low and mid-latitude soils, the modeled air concentration of SVOCs in the mid-troposphere is of the same order as or higher than that near the surface, demonstrating that the mid-troposphere is an important pathway and reservoir of SVOCs. The cold condensation of the chemicals is also likely to take place in the mid-troposphere over a source region of SVOCs in warm low latitudes through interacting with clouds. We demonstrate that the temperature dependent vapour pressure and atmospheric degradation rate of SVOCs exhibit similarities between lower atmosphere over the Arctic and the mid-troposphere over a tropical region. Frequent occurrence of atmospheric ascending motion and convection over warm latitudes carry the chemicals to a higher altitude where some of these chemicals may partition onto solid or aqueous phase through interaction with atmospheric aerosols, cloud water droplets and ice particles, and become more persistent at lower temperatures. Stronger winds in the mid-troposphere then convey solid and aqueous phase chemicals to the Arctic where they sink by large-scale descending motion and wet deposition. Using calculated water droplet-air partitioning coefficient of several persistent organic semi-volatile chemicals under a mean air temperature profile from the equator to the North Pole we propose that clouds are likely important sorbing media for SVOCs and pathway of

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

Science.gov (United States)

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

2009-04-01

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

Temporal frequency probing for 5D transient analysis of global light transport

KAUST Repository

O'Toole, Matthew

2014-07-27

We analyze light propagation in an unknown scene using projectors and cameras that operate at transient timescales. In this new photography regime, the projector emits a spatio-temporal 3D signal and the camera receives a transformed version of it, determined by the set of all light transport paths through the scene and the time delays they induce. The underlying 3D-to-3D transformation encodes scene geometry and global transport in great detail, but individual transport components (e.g., direct reflections, inter-reflections, caustics, etc.) are coupled nontrivially in both space and time. To overcome this complexity, we observe that transient light transport is always separable in the temporal frequency domain. This makes it possible to analyze transient transport one temporal frequency at a time by trivially adapting techniques from conventional projector-to-camera transport. We use this idea in a prototype that offers three never-seen-before abilities: (1) acquiring time-of-flight depth images that are robust to general indirect transport, such as interreflections and caustics; (2) distinguishing between direct views of objects and their mirror reflection; and (3) using a photonic mixer device to capture sharp, evolving wavefronts of "light-in-flight".

How well can global chemistry models calculate the reactivity of short-lived greenhouse gases in the remote troposphere, knowing the chemical composition

Science.gov (United States)

Prather, Michael J.; Flynn, Clare M.; Zhu, Xin; Steenrod, Stephen D.; Strode, Sarah A.; Fiore, Arlene M.; Correa, Gustavo; Murray, Lee T.; Lamarque, Jean-Francois

2018-05-01

We develop a new protocol for merging in situ measurements with 3-D model simulations of atmospheric chemistry with the goal of integrating these data to identify the most reactive air parcels in terms of tropospheric production and loss of the greenhouse gases ozone and methane. Presupposing that we can accurately measure atmospheric composition, we examine whether models constrained by such measurements agree on the chemical budgets for ozone and methane. In applying our technique to a synthetic data stream of 14 880 parcels along 180° W, we are able to isolate the performance of the photochemical modules operating within their global chemistry-climate and chemistry-transport models, removing the effects of modules controlling tracer transport, emissions, and scavenging. Differences in reactivity across models are driven only by the chemical mechanism and the diurnal cycle of photolysis rates, which are driven in turn by temperature, water vapor, solar zenith angle, clouds, and possibly aerosols and overhead ozone, which are calculated in each model. We evaluate six global models and identify their differences and similarities in simulating the chemistry through a range of innovative diagnostics. All models agree that the more highly reactive parcels dominate the chemistry (e.g., the hottest 10 % of parcels control 25-30 % of the total reactivities), but do not fully agree on which parcels comprise the top 10 %. Distinct differences in specific features occur, including the spatial regions of maximum ozone production and methane loss, as well as in the relationship between photolysis and these reactivities. Unique, possibly aberrant, features are identified for each model, providing a benchmark for photochemical module development. Among the six models tested here, three are almost indistinguishable based on the inherent variability caused by clouds, and thus we identify four, effectively distinct, chemical models. Based on this work, we suggest that water vapor

UNITED STATES DEPARTMENT OF TRANSPORTATION GLOBAL POSITIONING SYSTEM (GPS) ADJACENT BAND COMPATIBILITY ASSESSMENT

Science.gov (United States)

2018-04-01

The goal of the U.S. Department of Transportation (DOT) Global Positioning System (GPS) Adjacent Band Compatibility Assessment is to evaluate the maximum transmitted power levels of adjacent band radiofrequency (RF) systems that can be tolerated by G...

Global tropospheric ozone modeling: Quantifying errors due to grid resolution

Science.gov (United States)

Wild, Oliver; Prather, Michael J.

2006-06-01

Ozone production in global chemical models is dependent on model resolution because ozone chemistry is inherently nonlinear, the timescales for chemical production are short, and precursors are artificially distributed over the spatial scale of the model grid. In this study we examine the sensitivity of ozone, its precursors, and its production to resolution by running a global chemical transport model at four different resolutions between T21 (5.6° × 5.6°) and T106 (1.1° × 1.1°) and by quantifying the errors in regional and global budgets. The sensitivity to vertical mixing through the parameterization of boundary layer turbulence is also examined. We find less ozone production in the boundary layer at higher resolution, consistent with slower chemical production in polluted emission regions and greater export of precursors. Agreement with ozonesonde and aircraft measurements made during the NASA TRACE-P campaign over the western Pacific in spring 2001 is consistently better at higher resolution. We demonstrate that the numerical errors in transport processes on a given resolution converge geometrically for a tracer at successively higher resolutions. The convergence in ozone production on progressing from T21 to T42, T63, and T106 resolution is likewise monotonic but indicates that there are still large errors at 120 km scales, suggesting that T106 resolution is too coarse to resolve regional ozone production. Diagnosing the ozone production and precursor transport that follow a short pulse of emissions over east Asia in springtime allows us to quantify the impacts of resolution on both regional and global ozone. Production close to continental emission regions is overestimated by 27% at T21 resolution, by 13% at T42 resolution, and by 5% at T106 resolution. However, subsequent ozone production in the free troposphere is not greatly affected. We find that the export of short-lived precursors such as NOx by convection is overestimated at coarse resolution.

Cellular automaton model of coupled mass transport and chemical reactions

International Nuclear Information System (INIS)

Karapiperis, T.

1994-01-01

Mass transport, coupled with chemical reactions, is modelled as a cellular automaton in which solute molecules perform a random walk on a lattice and react according to a local probabilistic rule. Assuming molecular chaos and a smooth density function, we obtain the standard reaction-transport equations in the continuum limit. The model is applied to the reactions a + b ↔c and a + b →c, where we observe interesting macroscopic effects resulting from microscopic fluctuations and spatial correlations between molecules. We also simulate autocatalytic reaction schemes displaying spontaneous formation of spatial concentration patterns. Finally, we propose and discuss the limitations of a simple model for mineral-solute interaction. (author) 5 figs., 20 refs

Bringing global gyrokinetic turbulence simulations to the transport timescale using a multiscale approach

Science.gov (United States)

Parker, Jeffrey; Lodestro, Lynda; Told, Daniel; Merlo, Gabriele; Ricketson, Lee; Campos, Alejandro; Jenko, Frank; Hittinger, Jeffrey

2017-10-01

Predictive whole-device simulation models will play an increasingly important role in ensuring the success of fusion experiments and accelerating the development of fusion energy. In the core of tokamak plasmas, a separation of timescales between turbulence and transport makes a single direct simulation of both processes computationally expensive. We present the first demonstration of a multiple-timescale method coupling global gyrokinetic simulations with a transport solver to calculate the self-consistent, steady-state temperature profile. Initial results are highly encouraging, with the coupling method appearing robust to the difficult problem of turbulent fluctuations. The method holds potential for integrating first-principles turbulence simulations into whole-device models and advancing the understanding of global plasma behavior. Work supported by US DOE under Contract DE-AC52-07NA27344 and the Exascale Computing Project (17-SC-20-SC).

Complexity in human transportation networks: a comparative analysis of worldwide air transportation and global cargo-ship movements

Science.gov (United States)

Woolley-Meza, O.; Thiemann, C.; Grady, D.; Lee, J. J.; Seebens, H.; Blasius, B.; Brockmann, D.

2011-12-01

We present a comparative network-theoretic analysis of the two largest global transportation networks: the worldwide air-transportation network (WAN) and the global cargo-ship network (GCSN). We show that both networks exhibit surprising statistical similarities despite significant differences in topology and connectivity. Both networks exhibit a discontinuity in node and link betweenness distributions which implies that these networks naturally segregate into two different classes of nodes and links. We introduce a technique based on effective distances, shortest paths and shortest path trees for strongly weighted symmetric networks and show that in a shortest path tree representation the most significant features of both networks can be readily seen. We show that effective shortest path distance, unlike conventional geographic distance measures, strongly correlates with node centrality measures. Using the new technique we show that network resilience can be investigated more precisely than with contemporary techniques that are based on percolation theory. We extract a functional relationship between node characteristics and resilience to network disruption. Finally we discuss the results, their implications and conclude that dynamic processes that evolve on both networks are expected to share universal dynamic characteristics.

Analysis of aircraft and satellite measurements from the Intercontinental Chemical Transport Experiment (INTEX-B to quantify long-range transport of East Asian sulfur to Canada

Directory of Open Access Journals (Sweden)

A. van Donkelaar

2008-06-01

Full Text Available We interpret a suite of satellite, aircraft, and ground-based measurements over the North Pacific Ocean and western North America during April–May 2006 as part of the Intercontinental Chemical Transport Experiment Phase B (INTEX-B campaign to understand the implications of long-range transport of East Asian emissions to North America. The Canadian component of INTEX-B included 33 vertical profiles from a Cessna 207 aircraft equipped with an aerosol mass spectrometer. Long-range transport of organic aerosols was insignificant, contrary to expectations. Measured sulfate plumes in the free troposphere over British Columbia exceeded 2 μg/m³. We update the global anthropogenic emission inventory in a chemical transport model (GEOS-Chem and use it to interpret the observations. Aerosol Optical Depth (AOD retrieved from two satellite instruments (MISR and MODIS for 2000–2006 are analyzed with GEOS-Chem to estimate an annual growth in Chinese sulfur emissions of 6.2% and 9.6%, respectively. Analysis of aircraft sulfate measurements from the NASA DC-8 over the central Pacific, the NSF C-130 over the east Pacific and the Cessna over British Columbia indicates most Asian sulfate over the ocean is in the lower free troposphere (800–600 hPa, with a decrease in pressure toward land due to orographic effects. We calculate that 56% of the measured sulfate between 500–900 hPa over British Columbia is due to East Asian sources. We find evidence of a 72–85% increase in the relative contribution of East Asian sulfate to the total burden in spring off the northwest coast of the United States since 1985. Campaign-average simulations indicate anthropogenic East Asian sulfur emissions increase mean springtime sulfate in Western Canada at the surface by 0.31 μg/m³ (~30% and account for 50% of the overall regional sulfate burden between 1 and 5 km. Mean measured daily surface sulfate concentrations taken in the Vancouver area increase by

Comparison of Non-overlapping and Overlapping Local/Global Iteration Schemes for Whole-Core Deterministic Transport Calculation

International Nuclear Information System (INIS)

Yuk, Seung Su; Cho, Bumhee; Cho, Nam Zin

2013-01-01

In the case of deterministic transport model, fixed-k problem formulation is necessary and the overlapping local domain is chosen. However, as mentioned in, the partial current-based Coarse Mesh Finite Difference (p-CMFD) procedure enables also non-overlapping local/global (NLG) iteration. In this paper, NLG iteration is combined with p-CMFD and with CMFD (augmented with a concept of p-CMFD), respectively, and compared to OLG iteration on a 2-D test problem. Non-overlapping local/global iteration with p-CMFD and CMFD global calculation is introduced and tested on a 2-D deterministic transport problem. The modified C5G7 problem is analyzed with both NLG and OLG methods and the solutions converge to the reference solution except for some cases of NLG with CMFD. NLG with CMFD gives the best performance if the solution converges. But if fission-source iteration in local calculation is not enough, it is prone to diverge. The p-CMFD global solver gives unconditional convergence (for both OLG and NLG). A study of switching scheme is in progress, where NLG/p-CMFD is used as 'starter' and then switched to NLG/CMFD to render the whole-core transport calculation more efficient and robust. Parallel computation is another obvious future work

Transportation in El Salvador: a commitment to global warming management

International Nuclear Information System (INIS)

Lafleur, A.

2001-01-01

San Salvador City, El Salvador, is a city plagued with air pollution caused by traffic and congestion. Forecasts indicate the problem is likely to worsen in the coming years. Delcan International Corporation was commissioned by the Ministry of Public Works of El Salvador to study and evaluate the design and alternatives to a Ring Road circling San Salvador. The project, financed by the Inter-American Development Bank, is discussed in this paper, along with a summary of aspects of an Intelligent Transportation System (ITS) and the environmental impacts assessment conducted. Human-induced changes in climate, increasing levels of greenhouse gases are referred to as global warming of climate change. Water vapour, methane, nitrous oxide, ozone are the main greenhouse gases, with carbon dioxide representing the biggest threat. Approximately 14 per cent of global carbon dioxide emissions are caused by fumes emanating from motor-vehicle gasoline-fuels, and 50 per cent of those are produced in developing countries. Motor vehicles produce 60 to 90 per cent of carbon dioxide emissions in Latin America urban centres. Some ways of reducing carbon dioxide emissions are: reduce travel, use more efficient vehicles, improving existing vehicle technologies and fuels, improving traveller behaviour, reducing congestion. ITS could be a valuable tool for measuring the effectiveness of measures designed to reduce carbon dioxide emissions. The Intelligent Transportation System assists with the evaluation of the optimization and enlargement of existing roads, especially downtown, the construction of a highway around the city. This evaluation includes an environmental impact assessment, a traffic study and the highway final design. The Government of El Salvador has shown its commitment to sustainable practices toward global warming

A review of the global emissions, transport and effects of heavy metals in the environment

International Nuclear Information System (INIS)

Friedman, J.R.; Ashton, W.B.; Rapoport, R.D.

1993-06-01

The purpose of this report is to describe the current state of knowledge regarding the sources and quantities of heavy metal emissions, their transport and fate, their potential health and environmental effects, and strategies to control them. The approach is to review the literature on this topic and to consult with experts in the field. Ongoing research activities and research needs are discussed. Estimates of global anthropogenic and natural emissions indicate that anthropogenic emissions are responsible for most of the heavy metals released into the atmosphere and that industrial activities have had a significant impact on the global cycling of trace metals. The largest anthropogenic sources of trace metals are coal combustion and the nonferrous metal industry. Atmospheric deposition is an important pathway by which trace metals enter the environment. Atmospheric deposition varies according to the solubility of the element and the length of time it resides in the atmosphere. Evidence suggests that deposition is influenced by other chemicals in the atmosphere, such as ozone and sulfur dioxide. Trace metals also enter the environment through leaching. Existing emissions-control technologies such as electrostatic precipitators, baghouses, and scrubbers are designed to remove other particulates from the flue gas of coal-fired power plants and are only partially effective at removing heavy metals. Emerging technologies such as flue gas desulfurization, lignite coke, and fluidized bed combustion could further reduce emissions. 108 refs

The use of the dusty-gas model for the description of mass transport with chemical reaction in porous media

NARCIS (Netherlands)

Veldsink, J.W.; Veldsink, J.W.; van Damme, Rudolf M.J.; Versteeg, Geert; van Swaaij, Willibrordus Petrus Maria

1995-01-01

In the present study, mass transport accompanied by chemical reactions in porous media is studied according to the Fick model and the dusty-gas model. For mass transport accompanied by a chemical reaction in catalyst structures showing a plane, line, or point of symmetry, the approximate analytical

Nonequilibrium thermodynamics transport and rate processes in physical, chemical and biological systems

CERN Document Server

Demirel, Yasar

2014-01-01

Natural phenomena consist of simultaneously occurring transport processes and chemical reactions. These processes may interact with each other and may lead to self-organized structures, fluctuations, instabilities, and evolutionary systems. Nonequilibrium Thermodynamics, 3rd edition emphasizes the unifying role of thermodynamics in analyzing the natural phenomena. This third edition updates and expands on the first and second editions by focusing on the general balance equations for coupled processes of physical, chemical, and biological systems. The new edition contains a new chapte

Modeling the transport of chemical warfare agents and simulants in polymeric substrates for reactive decontamination

Science.gov (United States)

Pearl, Thomas; Mantooth, Brent; Varady, Mark; Willis, Matthew

2014-03-01

Chemical warfare agent simulants are often used for environmental testing in place of highly toxic agents. This work sets the foundation for modeling decontamination of absorbing polymeric materials with the focus on determining relationships between agents and simulants. The correlations of agents to simulants must consider the three way interactions in the chemical-material-decontaminant system where transport and reaction occur in polymer materials. To this end, diffusion modeling of the subsurface transport of simulants and live chemical warfare agents was conducted for various polymer systems (e.g., paint coatings) with and without reaction pathways with applied decontamination. The models utilized 1D and 2D finite difference diffusion and reaction models to simulate absorption and reaction in the polymers, and subsequent flux of the chemicals out of the polymers. Experimental data including vapor flux measurements and dynamic contact angle measurements were used to determine model input parameters. Through modeling, an understanding of the relationship of simulant to live chemical warfare agent was established, focusing on vapor emission of agents and simulants from materials.

Accounting for chemical kinetics in field scale transport calculations

International Nuclear Information System (INIS)

Bryan, N.D.

2005-01-01

The modelling of column experiments has shown that the humic acid mediated transport of metal ions is dominated by the non-exchangeable fraction. Metal ions enter this fraction via the exchangeable fraction, and may transfer back again. However, in both directions these chemical reactions are slow. Whether or not a kinetic description of these processes is required during transport calculations, or an assumption of local equilibrium will suffice, will depend upon the ratio of the reaction half-time to the residence time of species within the groundwater column. If the flow rate is sufficiently slow or the reaction sufficiently fast then the assumption of local equilibrium is acceptable. Alternatively, if the reaction is sufficiently slow (or the flow rate fast), then the reaction may be 'decoupled', i.e. removed from the calculation. These distinctions are important, because calculations involving chemical kinetics are computationally very expensive, and should be avoided wherever possible. In addition, column experiments have shown that the sorption of humic substances and metal-humate complexes may be significant, and that these reactions may also be slow. In this work, a set of rules is presented that dictate when the local equilibrium and decoupled assumptions may be used. In addition, it is shown that in all cases to a first approximation, the behaviour of a kinetically controlled species, and in particular its final distribution against distance at the end of a calculation, depends only upon the ratio of the reaction first order rate to the residence time, and hence, even in the region where the simplifications may not be used, the behaviour is predictable. In this way, it is possible to obtain an estimate of the migration of these species, without the need for a complex transport calculation. (orig.)

Development of a global 1-D chemically radiatively coupled model and an introduction to the development of a chemically coupled General Circulation Model

International Nuclear Information System (INIS)

Akiyoshi, H.

1997-01-01

A global one-dimensional, chemically and radiatively coupled model has been developed. The basic concept of the coupled model, definition of globally averaged zenith angles, the formulation of the model chemistry, radiation, the coupled processes, and profiles and diurnal variations of temperature and chemical species at a normal steady state are presented. Furthermore, a suddenly doubled CO 2 experiment and a Pinatubo aerosol increase experiment were performed with the model. The time scales of variations in ozone and temperature in the lower stratosphere of the coupled system in the doubled CO 2 experiment was long, due to a feedback process among ultra violet radiation, O(1D), NO y , NO x , and O 3 . From the Pinatubo aerosol experiment, a delay of maximum ozone decrease from the maximum aerosol loading is shown and discussed. Developments of 3-D chemical models with coupled processes are briefly described, and the ozone distribution from the first version of the 3-D model are presented. Chemical model development in National Institute for Environmental Studies (NIES) are briefly described. (author)

Chemical Vapor Transport Deposition of Molybdenum Disulfide Layers Using H2O Vapor as the Transport Agent

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Shichao Zhao

2018-02-01

Full Text Available Molybdenum disulfide (MoS2 layers show excellent optical and electrical properties and have many potential applications. However, the growth of high-quality MoS2 layers is a major bottleneck in the development of MoS2-based devices. In this paper, we report a chemical vapor transport deposition method to investigate the growth behavior of monolayer/multi-layer MoS2 using water (H2O as the transport agent. It was shown that the introduction of H2O vapor promoted the growth of MoS2 by increasing the nucleation density and continuous monolayer growth. Moreover, the growth mechanism is discussed.

Transportability of tertiary qualifications and CPD: A continuing challenge for the global health workforce

Directory of Open Access Journals (Sweden)

Saltman Deborah C

2012-07-01

Full Text Available Abstract Background In workforces that are traditionally mobile and have long lead times for new supply, such as health, effective global indicators of tertiary education are increasingly essential. Difficulties with transportability of qualifications and cross-accreditation are now recognised as key barriers to meeting the rapidly shifting international demands for health care providers. The plethora of mixed education and service arrangements poses challenges for employers and regulators, let alone patients; in determining equivalence of training and competency between individuals, institutions and geographical locations. Discussion This paper outlines the shortfall of the current indicators in assisting the process of global certification and competency recognition in the health care workforce. Using Organisation for Economic Cooperation and Development (OECD data we highlight how International standardisation in the tertiary education sector is problematic for the global health workforce. Through a series of case studies, we then describe a model which enables institutions to compare themselves internally and with others internationally using bespoke or prioritised parameters rather than standards. Summary The mobility of the global health workforce means that transportability of qualifications is an increasing area of concern. Valid qualifications based on workplace learning and assessment requires at least some variables to be benchmarked in order to judge performance.

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.

Impact of transport model errors on the global and regional methane emissions estimated by inverse modelling

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R. Locatelli

2013-10-01

Full Text Available A modelling experiment has been conceived to assess the impact of transport model errors on methane emissions estimated in an atmospheric inversion system. Synthetic methane observations, obtained from 10 different model outputs from the international TransCom-CH4 model inter-comparison exercise, are combined with a prior scenario of methane emissions and sinks, and integrated into the three-component PYVAR-LMDZ-SACS (PYthon VARiational-Laboratoire de Météorologie Dynamique model with Zooming capability-Simplified Atmospheric Chemistry System inversion system to produce 10 different methane emission estimates at the global scale for the year 2005. The same methane sinks, emissions and initial conditions have been applied to produce the 10 synthetic observation datasets. The same inversion set-up (statistical errors, prior emissions, inverse procedure is then applied to derive flux estimates by inverse modelling. Consequently, only differences in the modelling of atmospheric transport may cause differences in the estimated fluxes. In our framework, we show that transport model errors lead to a discrepancy of 27 Tg yr−1 at the global scale, representing 5% of total methane emissions. At continental and annual scales, transport model errors are proportionally larger than at the global scale, with errors ranging from 36 Tg yr−1 in North America to 7 Tg yr−1 in Boreal Eurasia (from 23 to 48%, respectively. At the model grid-scale, the spread of inverse estimates can reach 150% of the prior flux. Therefore, transport model errors contribute significantly to overall uncertainties in emission estimates by inverse modelling, especially when small spatial scales are examined. Sensitivity tests have been carried out to estimate the impact of the measurement network and the advantage of higher horizontal resolution in transport models. The large differences found between methane flux estimates inferred in these different configurations highly

New Potentiometric Wireless Chloride Sensors Provide High Resolution Information on Chemical Transport Processes in Streams

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Keith Smettem

2017-07-01

Full Text Available Quantifying the travel times, pathways, and dispersion of solutes moving through stream environments is critical for understanding the biogeochemical cycling processes that control ecosystem functioning. Validation of stream solute transport and exchange process models requires data obtained from in-stream measurement of chemical concentration changes through time. This can be expensive and time consuming, leading to a need for cheap distributed sensor arrays that respond instantly and record chemical transport at points of interest on timescales of seconds. To meet this need we apply new, low-cost (in the order of a euro per sensor potentiometric chloride sensors used in a distributed array to obtain data with high spatial and temporal resolution. The application here is to monitoring in-stream hydrodynamic transport and dispersive mixing of an injected chemical, in this case NaCl. We present data obtained from the distributed sensor array under baseflow conditions for stream reaches in Luxembourg and Western Australia. The reaches were selected to provide a range of increasingly complex in-channel flow patterns. Mid-channel sensor results are comparable to data obtained from more expensive electrical conductivity meters, but simultaneous acquisition of tracer data at several positions across the channel allows far greater spatial resolution of hydrodynamic mixing processes and identification of chemical ‘dead zones’ in the study reaches.

Chemical Transport Knockout for Oxidized Vitamin C, Dehydroascorbic Acid, Reveals Its Functions in vivo

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Hongbin Tu

2017-09-01

Full Text Available Despite its transport by glucose transporters (GLUTs in vitro, it is unknown whether dehydroascorbic acid (oxidized vitamin C, DHA has any in vivo function. To investigate, we created a chemical transport knockout model using the vitamin C analog 6-bromo-ascorbate. This analog is transported on sodium-dependent vitamin C transporters but its oxidized form, 6-bromo-dehydroascorbic acid, is not transported by GLUTs. Mice (gulo−/− unable to synthesize ascorbate (vitamin C were raised on 6-bromo-ascorbate. Despite normal survival, centrifugation of blood produced hemolysis secondary to near absence of red blood cell (RBC ascorbate/6-bromo-ascorbate. Key findings with clinical implications were that RBCs in vitro transported dehydroascorbic acid but not bromo-dehydroascorbic acid; RBC ascorbate in vivo was obtained only via DHA transport; ascorbate via DHA transport in vivo was necessary for RBC structural integrity; and internal RBC ascorbate was essential to maintain ascorbate plasma concentrations in vitro/in vivo.

The impacts of pore-scale physical and chemical heterogeneities on the transport of radionuclide-carrying colloids

Energy Technology Data Exchange (ETDEWEB)

WU, Ning

2018-04-24

Independent of the methods of nuclear waste disposal, the degradation of packaging materials could lead to mobilization and transport of radionuclides into the geosphere. This process can be significantly accelerated due to the association of radionuclides with the backfill materials or mobile colloids in groundwater. The transport of these colloids is complicated by the inherent coupling of physical and chemical heterogeneities (e.g., pore space geometry, grain size, charge heterogeneity, and surface hydrophobicity) in natural porous media that can exist on the length scale of a few grains. In addition, natural colloids themselves are often heterogeneous in their surface properties (e.g., clay platelets possess opposite charges on the surface and along the rim). Both physical and chemical heterogeneities influence the transport and retention of radionuclides under various groundwater conditions. However, the precise mechanisms how these coupled heterogeneities influence colloidal transport are largely elusive. This knowledge gap is a major source of uncertainty in developing accurate models to represent the transport process and to predict distribution of radionuclides in the geosphere.

Global evaluation of ammonia bidirectional exchange and livestock diurnal variation schemes

Science.gov (United States)

Bidirectional air–surface exchange of ammonia (NH3) has been neglected in many air quality models. In this study, we implement the bidirectional exchange of NH3 in the GEOS-Chem global chemical transport model. We also introduce an updated diurnal variability scheme for NH3...

MISTRAL: A game-theoretical model to allocate security measures in a multi-modal chemical transportation network with adaptive adversaries

International Nuclear Information System (INIS)

Talarico, Luca; Reniers, Genserik; Sörensen, Kenneth; Springael, Johan

2015-01-01

In this paper we present a multi-modal security-transportation model to allocate security resources within a chemical supply chain which is characterized by the use of different transport modes, each having their own security features. We consider security-related risks so as to take measures against terrorist acts which could target critical transportation systems. The idea of addressing security-related issues, by supporting decisions for preventing or mitigating intentional acts on transportation infrastructure, has gained attention in academic research only recently. The decision model presented in this paper is based on game theory and it can be employed to organize intelligence capabilities aimed at securing chemical supply chains. It enables detection and warning against impending attacks on transportation infrastructures and the subsequent adoption of security countermeasures. This is of extreme importance for preventing terrorist attacks and for avoiding (possibly huge) human and economic losses. In our work we also provide data sources and numerical simulations by applying the proposed model to a illustrative multi-modal chemical supply chain. - Highlights: • A model to increase the security in a multimodal chemical supply chain is proposed. • The model considers adaptive opponents having multi-attribute utility functions. • The model is based on game theory using an attacker–defender schema. • The model provides recommendations about where to allocate security measures. • Numerical simulations on a sample multimodal chemical supply chain are shown

The uranium institute transport working group: a common approach to global issues

International Nuclear Information System (INIS)

Tissot-Colle, C.

1998-01-01

With more than 442 nuclear power plants in operation all over the world delivering clean and safe electricity on a daily basis, nuclear energy is and will undoubtedly be one of the most promising way to cope with present and future economic, demographic, and environmental challenges. Nuclear materials transportation business links the various nuclear actors: research institutes, utilities, fuel cycle industries, and waste management agencies. As pipelines or tankers for the petroleum industry, transportation gives nuclear energy its consistency. Still, conversely to other industrial areas, transportation volumes and figures are rather low in the nuclear business. For instance, transport of dangerous goods in France represents around 15 million packages per year. Out of this, only 15,000 or 0.1 % are nuclear fuel cycle materials. When applied to the USA, this figure is even more striking: 100 million of dangerous goods containers are shipped each year. Only 10,000 pertains to nuclear fuel cycle materials. Even so, in our world of economic and cultural globalization, transport of nuclear materials is no longer a domestic issue. It crosses boundaries and appeals to various areas ranging from safety to communication. That is why the Uranium Institute decided, in 1995, to set up a working group dedicated to transport issues. This paper covers the Uranium Institute Transport Working Group, from its creation to its most recent achievements. (author)

Global Atmosphere Watch Workshop on Measurement-Model ...

Science.gov (United States)

The World Meteorological Organization’s (WMO) Global Atmosphere Watch (GAW) Programme coordinates high-quality observations of atmospheric composition from global to local scales with the aim to drive high-quality and high-impact science while co-producing a new generation of products and services. In line with this vision, GAW’s Scientific Advisory Group for Total Atmospheric Deposition (SAG-TAD) has a mandate to produce global maps of wet, dry and total atmospheric deposition for important atmospheric chemicals to enable research into biogeochemical cycles and assessments of ecosystem and human health effects. The most suitable scientific approach for this activity is the emerging technique of measurement-model fusion for total atmospheric deposition. This technique requires global-scale measurements of atmospheric trace gases, particles, precipitation composition and precipitation depth, as well as predictions of the same from global/regional chemical transport models. The fusion of measurement and model results requires data assimilation and mapping techniques. The objective of the GAW Workshop on Measurement-Model Fusion for Global Total Atmospheric Deposition (MMF-GTAD), an initiative of the SAG-TAD, was to review the state-of-the-science and explore the feasibility and methodology of producing, on a routine retrospective basis, global maps of atmospheric gas and aerosol concentrations as well as wet, dry and total deposition via measurement-model

Trans-Pacific transport of reactive nitrogen and ozone to Canada during spring

Directory of Open Access Journals (Sweden)

T. W. Walker

2010-09-01

Full Text Available We interpret observations from the Intercontinental Chemical Transport Experiment, Phase B (INTEX-B in spring 2006 using a global chemical transport model (GEOS-Chem to evaluate sensitivities of the free troposphere above the North Pacific Ocean and North America to Asian anthropogenic emissions. We develop a method to use satellite observations of tropospheric NO₂ columns to provide timely estimates of trends in NO_x emissions. NO_x emissions increased by 33% for China and 29% for East Asia from 2003 to 2006. We examine measurements from three aircraft platforms from the INTEX-B campaign, including a Canadian Cessna taking vertical profiles of ozone near Whistler Peak. The contribution to the mean simulated ozone profiles over Whistler below 5.5 km is at least 7.2 ppbv for Asian anthropogenic emissions and at least 3.5 ppbv for global lightning NO_x emissions. Tropospheric ozone columns from OMI exhibit a broad Asian outflow plume across the Pacific, which is reproduced by simulation. Mean modelled sensitivities of Pacific (30° N–60° N tropospheric ozone columns are at least 4.6 DU for Asian anthropogenic emissions and at least 3.3 DU for lightning, as determined by simulations excluding either source. Enhancements of ozone over Canada from Asian anthropogenic emissions reflect a combination of trans-Pacific transport of ozone produced over Asia, and ozone produced in the eastern Pacific through decomposition of peroxyacetyl nitrates (PANs. A sensitivity study decoupling PANs globally from the model's chemical mechanism establishes that PANs increase ozone production by removing NO_x from regions of low ozone production efficiency (OPE and injecting it into regions with higher OPE, resulting in a global increase in ozone production by 2% in spring 2006. PANs contribute up to 4 ppbv to surface springtime ozone concentrations in western Canada. Ozone production due to PAN transport is

Retrieving global aerosol sources from satellites using inverse modeling

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O. Dubovik

2008-01-01

Full Text Available Understanding aerosol effects on global climate requires knowing the global distribution of tropospheric aerosols. By accounting for aerosol sources, transports, and removal processes, chemical transport models simulate the global aerosol distribution using archived meteorological fields. We develop an algorithm for retrieving global aerosol sources from satellite observations of aerosol distribution by inverting the GOCART aerosol transport model.

The inversion is based on a generalized, multi-term least-squares-type fitting, allowing flexible selection and refinement of a priori algorithm constraints. For example, limitations can be placed on retrieved quantity partial derivatives, to constrain global aerosol emission space and time variability in the results. Similarities and differences between commonly used inverse modeling and remote sensing techniques are analyzed. To retain the high space and time resolution of long-period, global observational records, the algorithm is expressed using adjoint operators.

Successful global aerosol emission retrievals at 2°×2.5 resolution were obtained by inverting GOCART aerosol transport model output, assuming constant emissions over the diurnal cycle, and neglecting aerosol compositional differences. In addition, fine and coarse mode aerosol emission sources were inverted separately from MODIS fine and coarse mode aerosol optical thickness data, respectively. These assumptions are justified, based on observational coverage and accuracy limitations, producing valuable aerosol source locations and emission strengths. From two weeks of daily MODIS observations during August 2000, the global placement of fine mode aerosol sources agreed with available independent knowledge, even though the inverse method did not use any a priori information about aerosol sources, and was initialized with a "zero aerosol emission" assumption. Retrieving coarse mode aerosol emissions was less successful

The global impact of the transport sectors on atmospheric aerosol: simulations for year 2000 emissions

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M. Righi

2013-10-01

Full Text Available We use the EMAC (ECHAM/MESSy Atmospheric Chemistry global model with the aerosol module MADE (Modal Aerosol Dynamics model for Europe, adapted for global applications to quantify the impact of transport emissions (land transport, shipping and aviation on the global aerosol. We consider a present-day (2000 scenario according to the CMIP5 (Climate Model Intercomparison Project Phase 5 emission data set developed in support of the IPCC (Intergovernmental Panel on Climate Change Fifth Assessment Report. The model takes into account particle mass and number emissions: The latter are derived from mass emissions under different assumptions on the size distribution of particles emitted by the three transport sectors. Additional sensitivity experiments are performed to quantify the effects of the uncertainties behind such assumptions. The model simulations show that the impact of the transport sectors closely matches the emission patterns. Land transport is the most important source of black carbon (BC pollution in the USA, Europe and the Arabian Peninsula, contributing up to 60–70% of the total surface-level BC concentration in these regions. Shipping contributes about 40–60% of the total aerosol sulfate surface-level concentration along the most-traveled routes of the northern Atlantic and northern Pacific oceans, with a significant impact (~ 10–20% along the coastlines. Aviation mostly affects aerosol number, contributing about 30–40% of the particle number concentration in the northern midlatitudes' upper troposphere (7–12 km, although significant effects are also simulated at the ground, due to the emissions from landing and take-off cycles. The transport-induced perturbations to the particle number concentrations are very sensitive to the assumptions on the size distribution of emitted particles, with the largest uncertainties (about one order of magnitude obtained for the land transport sector. The simulated climate impacts, due to

Driving forces: Motor vehicle trends and their implications for global warming, energy strategies, and transportation planning

International Nuclear Information System (INIS)

MacKenzie, J.J.; Walsh, M.P.

1990-01-01

Cars, trucks, and other vehicles have long been linked to smog and other urban pollution, but the part they play in the larger complex of atmospheric and energy ills that we now face is often overlooked. In Driving Forces: Motor Vehicle Trends and Their Implications for Global Warming, Energy Strategies, and Transportation Planning, James J. MacKenzie, senior associate in World Resources Institute's Program in Climate, Energy, and Pollution, and Michael P. Walsh, an international consultant on transportation and environmental issues, fill in this knowledge gap with new data and analyses. They spell out four policy shifts that can help hold the line on global warming: improve new-vehicle efficiency; make transportation more efficient; cut other greenhouse gas emissions; create the green car of the future. The report focuses especially on the US, which pioneered the automotive revolution and leads the world in oil imports and emissions

Effect of chemical degradation on fluxes of reactive compounds – a study with a stochastic Lagrangian transport model

Directory of Open Access Journals (Sweden)

J. Rinne

2012-06-01

Full Text Available In the analyses of VOC fluxes measured above plant canopies, one usually assumes the flux above canopy to equal the exchange at the surface. Thus one assumes the chemical degradation to be much slower than the turbulent transport. We used a stochastic Lagrangian transport model in which the chemical degradation was described as first order decay in order to study the effect of the chemical degradation on above canopy fluxes of chemically reactive species. With the model we explored the sensitivity of the ratio of the above canopy flux to the surface emission on several parameters such as chemical lifetime of the compound, friction velocity, stability, and canopy density. Our results show that friction velocity and chemical lifetime affected the loss during transport the most. The canopy density had a significant effect if the chemically reactive compound was emitted from the forest floor. We used the results of the simulations together with oxidant data measured during HUMPPA-COPEC-2010 campaign at a Scots pine site to estimate the effect of the chemistry on fluxes of three typical biogenic VOCs, isoprene, α-pinene, and β-caryophyllene. Of these, the chemical degradation had a major effect on the fluxes of the most reactive species β-caryophyllene, while the fluxes of α-pinene were affected during nighttime. For these two compounds representing the mono- and sesquiterpenes groups, the effect of chemical degradation had also a significant diurnal cycle with the highest chemical loss at night. The different day and night time loss terms need to be accounted for, when measured fluxes of reactive compounds are used to reveal relations between primary emission and environmental parameters.

Hemispheric transport and influence of meteorology on global aerosol climatology

Directory of Open Access Journals (Sweden)

T. L. Zhao

2012-08-01

Full Text Available Based on a 10-yr simulation with the global air quality modeling system GEM-AQ/EC, the northern hemispheric aerosol transport with the inter-annual and seasonal variability as well as the mean climate was investigated. The intercontinental aerosol transport is predominant in the zonal direction from west to east with the ranges of inter-annual variability between 14% and 63%, and is 0.5–2 orders of magnitude weaker in the meridional direction but with larger inter-annual variability. The aerosol transport is found to fluctuate seasonally with a factor of 5–8 between the maximum in late winter and spring and the minimum in late summer and fall. Three meteorological factors controlling the intercontinental aerosol transport and its inter-annual variations are identified from the modeling results: (1 Anomalies in the mid-latitude westerlies in the troposphere. (2 Variations of precipitation over the intercontinental transport pathways and (3 Changes of meteorological conditions within the boundary layer. Changed only by the meteorology, the aerosol column loadings in the free troposphere over the source regions of Europe, North America, South and East Asia vary inter-annually with the highest magnitudes of 30–37% in January and December and the lowest magnitudes of 16–20% in August and September, and the inter-annual aerosol variability within the boundary layer influencing the surface concentrations with the magnitudes from 6% to 20% is more region-dependent. As the strongest climatic signal, the El Niño-Southern Oscillation (ENSO can lead the anomalies in the intercontinental aerosols in El Niño- and La Niña-years respectively with the strong and weak transport of the mid-latitude westerlies and the low latitude easterlies in the Northern Hemisphere (NH.

How well can global chemistry models calculate the reactivity of short-lived greenhouse gases in the remote troposphere, knowing the chemical composition

Directory of Open Access Journals (Sweden)

M. J. Prather

2018-05-01

Full Text Available We develop a new protocol for merging in situ measurements with 3-D model simulations of atmospheric chemistry with the goal of integrating these data to identify the most reactive air parcels in terms of tropospheric production and loss of the greenhouse gases ozone and methane. Presupposing that we can accurately measure atmospheric composition, we examine whether models constrained by such measurements agree on the chemical budgets for ozone and methane. In applying our technique to a synthetic data stream of 14 880 parcels along 180° W, we are able to isolate the performance of the photochemical modules operating within their global chemistry-climate and chemistry-transport models, removing the effects of modules controlling tracer transport, emissions, and scavenging. Differences in reactivity across models are driven only by the chemical mechanism and the diurnal cycle of photolysis rates, which are driven in turn by temperature, water vapor, solar zenith angle, clouds, and possibly aerosols and overhead ozone, which are calculated in each model. We evaluate six global models and identify their differences and similarities in simulating the chemistry through a range of innovative diagnostics. All models agree that the more highly reactive parcels dominate the chemistry (e.g., the hottest 10 % of parcels control 25–30 % of the total reactivities, but do not fully agree on which parcels comprise the top 10 %. Distinct differences in specific features occur, including the spatial regions of maximum ozone production and methane loss, as well as in the relationship between photolysis and these reactivities. Unique, possibly aberrant, features are identified for each model, providing a benchmark for photochemical module development. Among the six models tested here, three are almost indistinguishable based on the inherent variability caused by clouds, and thus we identify four, effectively distinct, chemical models. Based on this

Estimation of Radiative Efficiency of Chemicals with Potentially Significant Global Warming Potential.

Science.gov (United States)

Betowski, Don; Bevington, Charles; Allison, Thomas C

2016-01-19

Halogenated chemical substances are used in a broad array of applications, and new chemical substances are continually being developed and introduced into commerce. While recent research has considerably increased our understanding of the global warming potentials (GWPs) of multiple individual chemical substances, this research inevitably lags behind the development of new chemical substances. There are currently over 200 substances known to have high GWP. Evaluation of schemes to estimate radiative efficiency (RE) based on computational chemistry are useful where no measured IR spectrum is available. This study assesses the reliability of values of RE calculated using computational chemistry techniques for 235 chemical substances against the best available values. Computed vibrational frequency data is used to estimate RE values using several Pinnock-type models, and reasonable agreement with reported values is found. Significant improvement is obtained through scaling of both vibrational frequencies and intensities. The effect of varying the computational method and basis set used to calculate the frequency data is discussed. It is found that the vibrational intensities have a strong dependence on basis set and are largely responsible for differences in computed RE values.

Directed transport by surface chemical potential gradients for enhancing analyte collection in nanoscale sensors.

Science.gov (United States)

Sitt, Amit; Hess, Henry

2015-05-13

Nanoscale detectors hold great promise for single molecule detection and the analysis of small volumes of dilute samples. However, the probability of an analyte reaching the nanosensor in a dilute solution is extremely low due to the sensor's small size. Here, we examine the use of a chemical potential gradient along a surface to accelerate analyte capture by nanoscale sensors. Utilizing a simple model for transport induced by surface binding energy gradients, we study the effect of the gradient on the efficiency of collecting nanoparticles and single and double stranded DNA. The results indicate that chemical potential gradients along a surface can lead to an acceleration of analyte capture by several orders of magnitude compared to direct collection from the solution. The improvement in collection is limited to a relatively narrow window of gradient slopes, and its extent strongly depends on the size of the gradient patch. Our model allows the optimization of gradient layouts and sheds light on the fundamental characteristics of chemical potential gradient induced transport.

Robustness and flexibility in compact quasiaxial stellarators: Global ideal MHD stability and energetic particle transport

International Nuclear Information System (INIS)

Redi, M.H.; Diallo, A.; Cooper, W.A.; Fu, G.Y.

2000-01-01

Concerns about the flexibility and robustness of a compact quasiaxial stellarator design are addressed by studying the effects of varied pressure and rotational transform profiles on expected performance. For thirty, related, fully three-dimensional configurations the global, ideal magnetohydrodynamic stability is evaluated as well as energetic particle transport. It is found that tokamak intuition is relevant to understanding the magnetohydrodynamic stability, with pressure gradient driving terms and shear stabilization controlling both the periodicity preserving, N=0, and the non-periodicity preserving, N=1, unstable kink modes. Global kink modes are generated by steeply peaked pressure profiles near the half radius and edge localized kink modes are found for plasmas with steep pressure profiles at the edge as well as with edge rotational transform above 0.5. Energetic particle transport is not strongly dependent on these changes of pressure and current (or rotational transform) profiles, although a weak inverse dependence on pressure peaking through the corresponding Shafranov shift is found. While good transport and MHD stability are not anticorrelated in these equilibria, stability only results from a delicate balance of the pressure and shear stabilization forces. A range of interesting MHD behaviors is found for this large set of equilibria, exhibiting similar particle transport properties

Quantifying the causes of differences in tropospheric OH within global models

Science.gov (United States)

Nicely, Julie M.; Salawitch, Ross J.; Canty, Timothy; Anderson, Daniel C.; Arnold, Steve R.; Chipperfield, Martyn P.; Emmons, Louisa K.; Flemming, Johannes; Huijnen, Vincent; Kinnison, Douglas E.; Lamarque, Jean-François; Mao, Jingqiu; Monks, Sarah A.; Steenrod, Stephen D.; Tilmes, Simone; Turquety, Solene

2017-02-01

The hydroxyl radical (OH) is the primary daytime oxidant in the troposphere and provides the main loss mechanism for many pollutants and greenhouse gases, including methane (CH4). Global mean tropospheric OH differs by as much as 80% among various global models, for reasons that are not well understood. We use neural networks (NNs), trained using archived output from eight chemical transport models (CTMs) that participated in the Polar Study using Aircraft, Remote Sensing, Surface Measurements and Models, of Climate, Chemistry, Aerosols and Transport Model Intercomparison Project (POLMIP), to quantify the factors responsible for differences in tropospheric OH and resulting CH4 lifetime (τCH4) between these models. Annual average τCH4, for loss by OH only, ranges from 8.0 to 11.6 years for the eight POLMIP CTMs. The factors driving these differences were quantified by inputting 3-D chemical fields from one CTM into the trained NN of another CTM. Across all CTMs, the largest mean differences in τCH4 (ΔτCH4) result from variations in chemical mechanisms (ΔτCH4 = 0.46 years), the photolysis frequency (J) of O3 → O(1D) (0.31 years), local O3 (0.30 years), and CO (0.23 years). The ΔτCH4 due to CTM differences in NOx (NO + NO2) is relatively low (0.17 years), although large regional variation in OH between the CTMs is attributed to NOx. Differences in isoprene and J(NO2) have negligible overall effect on globally averaged tropospheric OH, although the extent of OH variations due to each factor depends on the model being examined. This study demonstrates that NNs can serve as a useful tool for quantifying why tropospheric OH varies between global models, provided that essential chemical fields are archived.

Pore-scale modeling of vapor transport in partially saturated capillary tube with variable area using chemical potential

DEFF Research Database (Denmark)

Addassi, Mouadh; Schreyer, Lynn; Johannesson, Björn

2016-01-01

Here we illustrate the usefulness of using the chemical potential as the primary unknown by modeling isothermal vapor transport through a partially saturated cylindrically symmetric capillary tube of variable cross-sectional area using a single equation. There are no fitting parameters and the nu......Here we illustrate the usefulness of using the chemical potential as the primary unknown by modeling isothermal vapor transport through a partially saturated cylindrically symmetric capillary tube of variable cross-sectional area using a single equation. There are no fitting parameters...... and the numerical solutions to the equation are compared with experimental results with excellent agreement. We demonstrate that isothermal vapor transport can be accurately modeled without modeling the details of the contact angle, microscale temperature fluctuations, or pressure fluctuations using a modification...

Electrical resistivity tomography as monitoring tool for unsaturated zone transport: an example of preferential transport of deicing chemicals.

Science.gov (United States)

Wehrer, Markus; Lissner, Heidi; Bloem, Esther; French, Helen; Totsche, Kai Uwe

2014-01-01

Non-invasive spatially resolved monitoring techniques may hold the key to observe heterogeneous flow and transport behavior of contaminants in soils. In this study, time-lapse electrical resistivity tomography (ERT) was employed during an infiltration experiment with deicing chemical in a small field lysimeter. Deicing chemicals like potassium formate, which frequently impact soils on airport sites, were infiltrated during snow melt. Chemical composition of seepage water and the electrical response was recorded over the spring period 2010. Time-lapse electrical resistivity tomographs are able to show the infiltration of the melt water loaded with ionic constituents of deicing chemicals and their degradation product hydrogen carbonate. The tomographs indicate early breakthrough behavior in parts of the profile. Groundtruthing with pore fluid conductivity and water content variations shows disagreement between expected and observed bulk conductivity. This was attributed to the different sampling volume of traditional methods and ERT due to a considerable fraction of immobile water in the soil. The results show that ERT can be used as a soil monitoring tool on airport sites if assisted by common soil monitoring techniques.

Emergency planning and preparedness for the deliberate release of toxic industrial chemicals.

Science.gov (United States)

Russell, David; Simpson, John

2010-03-01

Society in developed and developing countries is hugely dependent upon chemicals for health, wealth, and economic prosperity, with the chemical industry contributing significantly to the global economy. Many chemicals are synthesized, stored, and transported in vast quantities and classified as high production volume chemicals; some are recognized as being toxic industrial chemicals (TICs). Chemical accidents involving chemical installations and transportation are well recognized. Such chemical accidents occur with relative frequency and may result in large numbers of casualties with acute and chronic health effects as well as fatalities. The large-scale production of TICs, the potential for widespread exposure and significant public health impact, together with their relative ease of acquisition, makes deliberate release an area of potential concern. The large numbers of chemicals, together with the large number of potential release scenarios means that the number of possible forms of chemical incident are almost infinite. Therefore, prior to undertaking emergency planning and preparedness, it is necessary to prioritize risk and subsequently mitigate. This is a multi-faceted process, including implementation of industrial protection layers, substitution of hazardous chemicals, and relocation away from communities. Residual risk provides the basis for subsequent planning. Risk-prioritized emergency planning is a tool for identifying gaps, enhancing communication and collaboration, and for policy development. It also serves to enhance preparedness, a necessary prelude to preventing or mitigating the public health risk to deliberate release. Planning is an iterative and on-going process that requires multi-disciplinary agency input, culminating in the formation of a chemical incident plan complimentary to major incident planning. Preparedness is closely related and reflects a state of readiness. It is comprised of several components, including training and exercising

Growth and characterization of Bi2Se3 crystals by chemical vapor transport

Directory of Open Access Journals (Sweden)

W. H. Jiao

2012-06-01

Full Text Available Regularly-shaped high-quality Bi2Se3 crystals were grown by a chemical vapor transport using iodine as the transport agent. In addition to exhibiting a characteristic Dirac cone for a topological insulator, the Bi2Se3 crystals show some outstanding properties including additional crystallographic surfaces, large residual resistance ratio (∼10, and high mobility (∼8000 cm2·V−1·s−1. The low-temperature resistivity abnormally increases with applying pressures up to 1.7 GPa, and no superconductivity was observed down to 0.4 K.

Investigating the global transport of trace species and the stratoshere-troposphere-exchange with the Lagrangian model ECHAM4/ATTILA; Untersuchungen zum globalen Spurenstofftransport und Stratosphaeren-Troposphaeren-Austausch mit dem Lagrangeschen Modell ECHAM4/ATTILA

Energy Technology Data Exchange (ETDEWEB)

Reithmeier, C.

2001-07-01

Investigating the chemical composition of the atmosphere and its influence on the global climate involves a large number of trace species. Therefore, the Lagrangian transport scheme ATTILA has been developed in this thesis. ATTILA runs online in the general circulation model ECHAM4 and, thus, can be used efficiently for studies involving many tracers. The present study discusses the problems which arise when applying Lagrangian methods on long range and global scale, and describes in detail the solutions developed for ATTILA. Transport experiments with both short-lived and long-lived tracers clearly show that ATTILA is numerically much less diffusive than the operational semi-Lagrangian scheme of ECHAM. It could be shown that the enhanced meridional transport in the tropopause region and the overestimated downward flux through the tropopause in ECHAM are rather due to the numerical properties of the semi-Lagrangian scheme than due to an incorrect circulation. Furthermore, the stratospheric dynamics has been investigated in this study by analysing trajectories and by calculating age spectra and mass fluxes. (orig.)

Thermal-chemical-mechanical feedback during fluid-rock interactions: Implications for chemical transport and scales of equilibria in the crust

International Nuclear Information System (INIS)

Dutrow, Barbara

2008-01-01

Our research evaluates the hypothesis that feedback amongst thermal-chemical-mechanical processes operative in fluid-rock systems alters the fluid flow dynamics of the system which, in turn, affects chemical transport and temporal and spatial scales of equilibria, thus impacting the resultant mineral textural development of rocks. Our methods include computational experimentation and detailed analyses of fluid-infiltrated rocks from well-characterized terranes. This work focuses on metamorphic rocks and hydrothermal systems where minerals and their textures are utilized to evaluate pressure (P), temperature (T), and time (t) paths in the evolution of mountain belts and ore deposits, and to interpret tectonic events and the timing of these events. Our work on coupled processes also extends to other areas where subsurface flow and transport in porous media have consequences such as oil and gas movement, geothermal system development, transport of contaminants, nuclear waste disposal, and other systems rich in fluid-rock reactions. Fluid-rock systems are widespread in the geologic record. Correctly deciphering the products resulting from such systems is important to interpreting a number of geologic phenomena. These systems are characterized by complex interactions involving time-dependent, non-linear processes in heterogeneous materials. While many of these interactions have been studied in isolation, they are more appropriately analyzed in the context of a system with feedback. When one process impacts another process, time and space scales as well as the overall outcome of the interaction can be dramatically altered. Our goals to test this hypothesis are: to develop and incorporate algorithms into our 3D heat and mass transport code to allow the effects of feedback to be investigated numerically, to analyze fluid infiltrated rocks from a variety of terranes at differing P-T conditions, to identify subtle features of the infiltration of fluids and/or feedback, and

Developing a long-term global tourism transport model using a behavioural approach: implications for sustainable tourism policy making.

NARCIS (Netherlands)

Peeters, P.M.

2013-01-01

This paper explores the creation and use of a long-term global tourism transport model for private and public sector tourism policy makers. Given that technology is unlikely to reduce tourism transport's impact on climate change sufficiently to avoid serious dangers, behavioural change is necessary.

Global aerosol transport and consequences for the radiation budget

International Nuclear Information System (INIS)

Newiger, M.; Grassl, H.; Schussel, P.; Rehkopf, J.

1984-01-01

Man's activities may influence global climate by changing the atmospheric composition and surface characteristics and by waste heat. Most prominent within this discussion is the increase or decrease of radiatively active trace gases like CO/sub 2/, N/sub 2/O, O/sub 3/, and others. The general opinion is converging towards a greenhouse effect as a combined action of all trace gases, whose exact magnitude is uncertain mainly because of the unknown reaction of water cycle. The aim of our global 2-D (resolving latitude and height) aerosol transport model is the calculation of aerosol particle number density profiles as a function of latitude for present natural plus anthropogenic emissions. The aerosol transport model uses prescribed meridonal circulation, diffusivity factors and cloud climatology for January as well as July. All these latitude and height dependent input parameters were taken from well known sources. The fixed climatology excludes the feedback of aerosol particle parameter changes on mean circulation. However, the radiative parameters of six clouds types are modified, although they possess by adoption of the Telegadas and London (1954) cloud climatology prescribed amount and height. The inclusion of the feedback on mean circulation seems premature at present. Adding particles either accounting for natural emissions or natural anthropogenic emission and removing particles by all known sinks outside and within clouds gives us - for the stationary state - vertical profiles of aerosol number density in three sizes classes as a function of latitude. These profiles in turn are input for radiation flux calculations in clear and cloudy areas in order to assess net flux changes caused by the present aerosol load in comparison to a scenario without anthropogenic emissions. The net flux changes finally are compared to those calculated for increased CO/sub 2/ levels

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

Directory of Open Access Journals (Sweden)

H. Riede

2009-12-01

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

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

Prospects for Research in Transport and Logistics on a Regional: Global Perspective (I: February 2009: İstanbul: Turkey)

OpenAIRE

Ülengin, Füsun

2009-01-01

Committees, i -- Words of Welcome and Gratitude, ii -- Introduction, iii -- Chapter 1 Global Issues in Logistics and Transportation, 1 -- Potential to Reduce GHG through Efficient Logistic Concepts, 3 -- Werner Rothengatter -- A methodological framework for the evaluation and prioritisation of multinational transport projects: the Case of euro-asian transport linkages, 21 / Dimitrios TSAMBOULAS, Angeliki KOPSACHEILI -- Container port throughput performance - case study: Far east, north west e...

Development and Performance of the Modularized, High-performance Computing and Hybrid-architecture Capable GEOS-Chem Chemical Transport Model

Science.gov (United States)

Long, M. S.; Yantosca, R.; Nielsen, J.; Linford, J. C.; Keller, C. A.; Payer Sulprizio, M.; Jacob, D. J.

2014-12-01

The GEOS-Chem global chemical transport model (CTM), used by a large atmospheric chemistry research community, has been reengineered to serve as a platform for a range of computational atmospheric chemistry science foci and applications. Development included modularization for coupling to general circulation and Earth system models (ESMs) and the adoption of co-processor capable atmospheric chemistry solvers. This was done using an Earth System Modeling Framework (ESMF) interface that operates independently of GEOS-Chem scientific code to permit seamless transition from the GEOS-Chem stand-alone serial CTM to deployment as a coupled ESM module. In this manner, the continual stream of updates contributed by the CTM user community is automatically available for broader applications, which remain state-of-science and directly referenceable to the latest version of the standard GEOS-Chem CTM. These developments are now available as part of the standard version of the GEOS-Chem CTM. The system has been implemented as an atmospheric chemistry module within the NASA GEOS-5 ESM. The coupled GEOS-5/GEOS-Chem system was tested for weak and strong scalability and performance with a tropospheric oxidant-aerosol simulation. Results confirm that the GEOS-Chem chemical operator scales efficiently for any number of processes. Although inclusion of atmospheric chemistry in ESMs is computationally expensive, the excellent scalability of the chemical operator means that the relative cost goes down with increasing number of processes, making fine-scale resolution simulations possible.

Absorption dynamics of organic chemical transport across trout gills as related to octanol-water partition coefficient

International Nuclear Information System (INIS)

McKim, J.; Schmieder, P.; Veith, G.

1985-01-01

An in vivo fish preparation was used that allowed a direct measure of the transport rates of 14 different organic chemicals across the gills of rainbow trout (Salmo gairdneri). The chemicals, all C14 labeled, were selected from five classes, encompassing a range of octanol-water partition coefficient (log P) values, from 0.23 (ethyl formate) to 7.5 (mirex). The uptake efficiency (extraction efficiency) of each chemical was determined by monitoring the inspired and expired water of trout exposed to each chemical over an exposure period of 1 to 6 hr. The mean gill extraction efficiency for all chemicals tested varied from a low of 7% to a high of 60%, extracted in a single pall of the chemical across the gills. The extraction efficiency of chemicals with log P or 1 or less were low and showed no relationship to log P. These low extraction efficiencies seen at log P of 1 and below with molecular weights below 100 were indicative of aqueous pore transport. The mean extraction efficiency for chemicals with log P values of 1 to 3 seemed to vary directly with log P, to a maximum of slightly greater than 60%, suggesting that uptake was controlled by the lipid membrane. The mean extraction efficiency for chemicals with log P of 3 to 6 was independent of log P and remained at 60%, which suggested that gill uptake was controlled by aqueous diffusion rates rather than gill membrane permeability. The mean extraction efficiency with mirex (log P . 7.5) decreased to 20%

Local impacts, global sources: The governance of boundary-crossing chemicals.

Science.gov (United States)

Gorman, Hugh S; Gagnon, Valoree S; Norman, Emma S

2016-12-01

Over the last half century, a multijurisdictional, multiscale system of governance has emerged to address concerns associated with toxic chemicals that have the capacity to bioaccumulate in organisms and biomagnify in food chains, leading to fish consumption advisories. Components of this system of governance include international conventions (such as the Stockholm Convention on Persistent Organic Pollutants and the Minamata Convention on Mercury), laws enacted by nation states and their subjurisdictions, and efforts to adaptively manage regional ecosystems (such as the U.S.-Canadian Great Lakes). Given that many of these compounds - including mercury, industrial chemicals such as polychlorinated biphenyls, and pesticides such as toxaphene - circulate throughout the globe through cycles of deposition and reemission, regional efforts to eliminate the need for fish consumption advisories cannot be successful without efforts to reduce emissions everywhere in the world. This paper argues that the scientific community, by monitoring the concentrations of these compounds in the atmosphere and by modeling their fate and transport, play an important role in connecting the various jurisdictional scales of governance. In addition, the monitoring networks that this community of scientists has established can be visualized as a technology of governance essential in an era in which societies have the capacity to produce and release such chemicals on an industrial scale.

Sensitivity of transatlantic dust transport to chemical aging and related atmospheric processes

KAUST Repository

Abdelkader, Mohamed

2017-03-20

We present a sensitivity study on transatlantic dust transport, a process which has many implications for the atmosphere, the ocean and the climate. We investigate the impact of key processes that control the dust outflow, i.e., the emission flux, convection schemes and the chemical aging of mineral dust, by using the EMAC model following Abdelkader et al. (2015). To characterize the dust outflow over the Atlantic Ocean, we distinguish two geographic zones: (i) dust interactions within the Intertropical Convergence Zone (ITCZ), or the dust–ITCZ interaction zone (DIZ), and (ii) the adjacent dust transport over the Atlantic Ocean (DTA) zone. In the latter zone, the dust loading shows a steep and linear gradient westward over the Atlantic Ocean since particle sedimentation is the dominant removal process, whereas in the DIZ zone aerosol–cloud interactions, wet deposition and scavenging processes determine the extent of the dust outflow. Generally, the EMAC simulated dust compares well with CALIPSO observations; however, our reference model configuration tends to overestimate the dust extinction at a lower elevation and underestimates it at a higher elevation. The aerosol optical depth (AOD) over the Caribbean responds to the dust emission flux only when the emitted dust mass is significantly increased over the source region in Africa by a factor of 10. These findings point to the dominant role of dust removal (especially wet deposition) in transatlantic dust transport. Experiments with different convection schemes have indeed revealed that the transatlantic dust transport is more sensitive to the convection scheme than to the dust emission flux parameterization. To study the impact of dust chemical aging, we focus on a major dust outflow in July 2009. We use the calcium cation as a proxy for the overall chemical reactive dust fraction and consider the uptake of major inorganic acids (i.e., H2SO4, HNO3 and HCl) and their anions, i.e., sulfate (SO42−), bisulfate

A Global System for Transportation Simulation and Visualization in Emergency Evacuation Scenarios

Energy Technology Data Exchange (ETDEWEB)

Lu, Wei [ORNL; Liu, Cheng [ORNL; Thomas, Neil [ORNL; Bhaduri, Budhendra L [ORNL; Han, Lee [University of Tennessee, Knoxville (UTK)

2015-01-01

Simulation-based studies are frequently used for evacuation planning and decision making processes. Given the transportation systems complexity and data availability, most evacuation simulation models focus on certain geographic areas. With routine improvement of OpenStreetMap road networks and LandScanTM global population distribution data, we present WWEE, a uniform system for world-wide emergency evacuation simulations. WWEE uses unified data structure for simulation inputs. It also integrates a super-node trip distribution model as the default simulation parameter to improve the system computational performance. Two levels of visualization tools are implemented for evacuation performance analysis, including link-based macroscopic visualization and vehicle-based microscopic visualization. For left-hand and right-hand traffic patterns in different countries, the authors propose a mirror technique to experiment with both scenarios without significantly changing traffic simulation models. Ten cities in US, Europe, Middle East, and Asia are modeled for demonstration. With default traffic simulation models for fast and easy-to-use evacuation estimation and visualization, WWEE also retains the capability of interactive operation for users to adopt customized traffic simulation models. For the first time, WWEE provides a unified platform for global evacuation researchers to estimate and visualize their strategies performance of transportation systems under evacuation scenarios.

Estimating surface water concentrations of “down-the-drain” chemicals in China using a global model

International Nuclear Information System (INIS)

Whelan, M.J.; Hodges, J.E.N.; Williams, R.J.; Keller, V.D.J.; Price, O.R.; Li, M.

2012-01-01

Predictions of surface water exposure to “down-the-drain” chemicals are presented which employ grid-based spatially-referenced data on average monthly runoff, population density, country-specific per capita domestic water and substance use rates and sewage treatment provision. Water and chemical load are routed through the landscape using flow directions derived from digital elevation data, accounting for in-stream chemical losses using simple first order kinetics. Although the spatial and temporal resolution of the model are relatively coarse, the model still has advantages over spatially inexplicit “unit-world” approaches, which apply arbitrary dilution factors, in terms of predicting the location of exposure hotspots and the statistical distribution of concentrations. The latter can be employed in probabilistic risk assessments. Here the model was applied to predict surface water exposure to “down-the-drain” chemicals in China for different levels of sewage treatment provision. Predicted spatial patterns of concentration were consistent with observed water quality classes for China. - Highlights: ► A global-scale model of “down-the-drain” chemical concentrations is presented. ► The model was used to predict spatial patterns of exposure in China. ► Predictions were consistent with observed water quality classes. ► The model can identify hotspots and statistical distributions of concentrations. - A global-scale model was used to predict spatial patterns of “down-the-drain” chemical concentrations in China. Predictions were consistent with observed water quality classes, demonstrating the potential value of the model.

PORT AND SHIPPING COMPANIES AS GLOBAL PLAYERS WITHIN THE MARITIME TRANSPORT AND LOGISTICS AREA

Directory of Open Access Journals (Sweden)

Andrzej S. Grzelakowski

2016-06-01

Full Text Available The main aim of the study was to present the current role of the maritime transport companies acting in the global maritime logistics area in the creation of fundamentals of integrated order in this sphere of global economy. The study carried out have confirmed that seaport and shipping companies take active measures aiming at building logistics governance in microenvironment which the function in. Generally, however, functioning in the conditions of market disequilibrium, they are seeking, by using the tools available to them, to build the foundations of logistics governance based on typical supply–side orientation. Only in terms of relative market equilibrium they are able, thanks to active demand-side oriented activities, to support effectively all necessary processes directed towards creating a consistent in a global scale logistics area, regulated by both the international market mechanism and public one, i.e. the global maritime policy (governance.

Enhancement of Bacterial Transport in Aerobic and Anaerobic Environments: Assessing the Effect of Metal Oxide Chemical Heterogeneities

International Nuclear Information System (INIS)

T.C. Onstott

2005-01-01

The goal of our research was to understand the fundamental processes that control microbial transport in physically and chemically heterogeneous aquifers and from this enhanced understanding determine the requirements for successful, field-scale delivery of microorganisms to metal contaminated subsurface sites. Our specific research goals were to determine; (1) the circumstances under which the preferential adsorption of bacteria to Fe, Mn, and Al oxyhydroxides influences field-scale bacterial transport, (2) the extent to which the adhesion properties of bacterial cells affect field-scale bacterial transport, (3) whether microbial Fe(III) reduction can enhance field-scale transport of Fe reducing bacteria (IRB) and other microorganisms and (4) the effect of field-scale physical and chemical heterogeneity on all three processes. Some of the spin-offs from this basic research that can improve biostimulation and bioaugmentation remediation efforts at contaminated DOE sites have included; (1) new bacterial tracking tools for viable bacteria; (2) an integrated protocol which combines subsurface characterization, laboratory-scale experimentation, and scale-up techniques to accurately predict field-scale bacterial transport; and (3) innovative and inexpensive field equipment and methods that can be employed to enhance Fe(III) reduction and microbial transport and to target microbial deposition under both aerobic and anaerobic conditions

Vectorization and parallelization of a numerical scheme for 3D global atmospheric transport-chemistry problems

NARCIS (Netherlands)

E.J. Spee (Edwin); P.M. de Zeeuw (Paul); J.G. Verwer (Jan); J.G. Blom (Joke); W. Hundsdorfer (Willem)

1996-01-01

textabstractAtmospheric air quality modeling relies in part on numerical simulation. Required numerical simulations are often hampered by lack of computer capacity and computational speed. This problem is most severe in the field of global modeling where transport and exchange of trace constituents

Large scale air pollution estimation method combining land use regression and chemical transport modeling in a geostatistical framework.

Science.gov (United States)

Akita, Yasuyuki; Baldasano, Jose M; Beelen, Rob; Cirach, Marta; de Hoogh, Kees; Hoek, Gerard; Nieuwenhuijsen, Mark; Serre, Marc L; de Nazelle, Audrey

2014-04-15

In recognition that intraurban exposure gradients may be as large as between-city variations, recent air pollution epidemiologic studies have become increasingly interested in capturing within-city exposure gradients. In addition, because of the rapidly accumulating health data, recent studies also need to handle large study populations distributed over large geographic domains. Even though several modeling approaches have been introduced, a consistent modeling framework capturing within-city exposure variability and applicable to large geographic domains is still missing. To address these needs, we proposed a modeling framework based on the Bayesian Maximum Entropy method that integrates monitoring data and outputs from existing air quality models based on Land Use Regression (LUR) and Chemical Transport Models (CTM). The framework was applied to estimate the yearly average NO2 concentrations over the region of Catalunya in Spain. By jointly accounting for the global scale variability in the concentration from the output of CTM and the intraurban scale variability through LUR model output, the proposed framework outperformed more conventional approaches.

Reduction and Uncertainty Analysis of Chemical Mechanisms Based on Local and Global Sensitivities

Science.gov (United States)

Esposito, Gaetano

Numerical simulations of critical reacting flow phenomena in hypersonic propulsion devices require accurate representation of finite-rate chemical kinetics. The chemical kinetic models available for hydrocarbon fuel combustion are rather large, involving hundreds of species and thousands of reactions. As a consequence, they cannot be used in multi-dimensional computational fluid dynamic calculations in the foreseeable future due to the prohibitive computational cost. In addition to the computational difficulties, it is also known that some fundamental chemical kinetic parameters of detailed models have significant level of uncertainty due to limited experimental data available and to poor understanding of interactions among kinetic parameters. In the present investigation, local and global sensitivity analysis techniques are employed to develop a systematic approach of reducing and analyzing detailed chemical kinetic models. Unlike previous studies in which skeletal model reduction was based on the separate analysis of simple cases, in this work a novel strategy based on Principal Component Analysis of local sensitivity values is presented. This new approach is capable of simultaneously taking into account all the relevant canonical combustion configurations over different composition, temperature and pressure conditions. Moreover, the procedure developed in this work represents the first documented inclusion of non-premixed extinction phenomena, which is of great relevance in hypersonic combustors, in an automated reduction algorithm. The application of the skeletal reduction to a detailed kinetic model consisting of 111 species in 784 reactions is demonstrated. The resulting reduced skeletal model of 37--38 species showed that the global ignition/propagation/extinction phenomena of ethylene-air mixtures can be predicted within an accuracy of 2% of the full detailed model. The problems of both understanding non-linear interactions between kinetic parameters and

Kelvin probe microscopy and electronic transport measurements in reduced graphene oxide chemical sensors

Science.gov (United States)

Kehayias, Christopher E.; MacNaughton, Samuel; Sonkusale, Sameer; Staii, Cristian

2013-06-01

Reduced graphene oxide (RGO) is an electronically hybrid material that displays remarkable chemical sensing properties. Here, we present a quantitative analysis of the chemical gating effects in RGO-based chemical sensors. The gas sensing devices are patterned in a field-effect transistor geometry, by dielectrophoretic assembly of RGO platelets between gold electrodes deposited on SiO2/Si substrates. We show that these sensors display highly selective and reversible responses to the measured analytes, as well as fast response and recovery times (tens of seconds). We use combined electronic transport/Kelvin probe microscopy measurements to quantify the amount of charge transferred to RGO due to chemical doping when the device is exposed to electron-acceptor (acetone) and electron-donor (ammonia) analytes. We demonstrate that this method allows us to obtain high-resolution maps of the surface potential and local charge distribution both before and after chemical doping, to identify local gate-susceptible areas on the RGO surface, and to directly extract the contact resistance between the RGO and the metallic electrodes. The method presented is general, suggesting that these results have important implications for building graphene and other nanomaterial-based chemical sensors.

Kelvin probe microscopy and electronic transport measurements in reduced graphene oxide chemical sensors.

Science.gov (United States)

Kehayias, Christopher E; MacNaughton, Samuel; Sonkusale, Sameer; Staii, Cristian

2013-06-21

Reduced graphene oxide (RGO) is an electronically hybrid material that displays remarkable chemical sensing properties. Here, we present a quantitative analysis of the chemical gating effects in RGO-based chemical sensors. The gas sensing devices are patterned in a field-effect transistor geometry, by dielectrophoretic assembly of RGO platelets between gold electrodes deposited on SiO2/Si substrates. We show that these sensors display highly selective and reversible responses to the measured analytes, as well as fast response and recovery times (tens of seconds). We use combined electronic transport/Kelvin probe microscopy measurements to quantify the amount of charge transferred to RGO due to chemical doping when the device is exposed to electron-acceptor (acetone) and electron-donor (ammonia) analytes. We demonstrate that this method allows us to obtain high-resolution maps of the surface potential and local charge distribution both before and after chemical doping, to identify local gate-susceptible areas on the RGO surface, and to directly extract the contact resistance between the RGO and the metallic electrodes. The method presented is general, suggesting that these results have important implications for building graphene and other nanomaterial-based chemical sensors.

Assimilation of stratospheric ozone in the chemical transport model STRATAQ

Directory of Open Access Journals (Sweden)

B. Grassi

2004-09-01

Full Text Available We describe a sequential assimilation approach useful for assimilating tracer measurements into a three-dimensional chemical transport model (CTM of the stratosphere. The numerical code, developed largely according to Kha00, uses parameterizations and simplifications allowing assimilation of sparse observations and the simultaneous evaluation of analysis errors, with reasonable computational requirements. Assimilation parameters are set by using χ2 and OmF (Observation minus Forecast statistics. The CTM used here is a high resolution three-dimensional model. It includes a detailed chemical package and is driven by UKMO (United Kingdom Meteorological Office analyses. We illustrate the method using assimilation of Upper Atmosphere Research Satellite/Microwave Limb Sounder (UARS/MLS ozone observations for three weeks during the 1996 antarctic spring. The comparison of results from the simulations with TOMS (Total Ozone Mapping Spectrometer measurements shows improved total ozone fields due to assimilation of MLS observations. Moreover, the assimilation gives indications on a possible model weakness in reproducing polar ozone values during springtime.

Assimilation of stratospheric ozone in the chemical transport model STRATAQ

Directory of Open Access Journals (Sweden)

B. Grassi

2004-09-01

Full Text Available We describe a sequential assimilation approach useful for assimilating tracer measurements into a three-dimensional chemical transport model (CTM of the stratosphere. The numerical code, developed largely according to Kha00, uses parameterizations and simplifications allowing assimilation of sparse observations and the simultaneous evaluation of analysis errors, with reasonable computational requirements. Assimilation parameters are set by using χ² and OmF (Observation minus Forecast statistics. The CTM used here is a high resolution three-dimensional model. It includes a detailed chemical package and is driven by UKMO (United Kingdom Meteorological Office analyses. We illustrate the method using assimilation of Upper Atmosphere Research Satellite/Microwave Limb Sounder (UARS/MLS ozone observations for three weeks during the 1996 antarctic spring. The comparison of results from the simulations with TOMS (Total Ozone Mapping Spectrometer measurements shows improved total ozone fields due to assimilation of MLS observations. Moreover, the assimilation gives indications on a possible model weakness in reproducing polar ozone values during springtime.

Survey and discussion of models applicable to the transport and fate thrust area of the Department of Energy Chemical and Biological Nonproliferation Program

Energy Technology Data Exchange (ETDEWEB)

NONE

1997-09-01

The availability and easy production of toxic chemical and biological agents by domestic and international terrorists pose a serious threat to US national security, especially to civilian populations in and around urban areas. To address this threat, the Department of Energy (DOE) has established the Chemical and Biological Nonproliferation Program (CBNP) with the goal of focusing the DOE`s technical resources and expertise on capabilities to deny, deter, mitigate and respond to clandestine releases of chemical and biological agents. With the intent to build on DOE core competencies, the DOE has established six technology thrust areas within the CBNP Program: Biological Information Resources; Point Sensor Systems; Stand-off Detection; Transport and Fate; Decontamination; and Systems Analysis and Integration. The purpose of the Transport and Fate Thrust is to accurately predict the dispersion, concentration and ultimate fate of chemical and biological agents released into the urban and suburban environments and has two major goals: (1) to develop an integrated and validated state-of-the-art atmospheric transport and fate modeling capability for chemical and biological agent releases within the complex urban environment from the regional scale down to building and subway interiors, and (2) to apply this modeling capability in a broad range of simulation case studies of chemical and biological agent release scenarios in suburban, urban and confined (buildings and subways) environments and provide analysis for the incident response user community. Sections of this report discuss subway transport and fate models; buildings interior transport and fate modeling; models for flow and transport around buildings; and local-regional meteorology and dispersion models.

Sorption and Transport of Pharmaceutical chemicals in Organic- and Mineral-rich Soils

Science.gov (United States)

Vulava, V. M.; Schwindaman, J.; Murphey, V.; Kuzma, S.; Cory, W.

2011-12-01

OC, again indicating that these PhACs preferentially partition into the soil OM. Such a correlation was absent for cetirizine. Breakthrough curves of PhACs measured in homogeneous packed soil columns indicated that PhAC transport was affected by chemical nonequilibrium processes depending on the soil and PhAC chemistry. The shape of the breakthrough curves indicated that there were two distinct sorption sites - OM and clay minerals - which influence nonequilibrium transport of these compounds. The retardation factor estimated using the distribution coefficient, Kd, measured from the sorption experiments was very similar to the measured value. While the sorption and transport data do not provide mechanistic information regarding the nature of PhAC interaction with chemical reactive components within geological materials, they do provide important information regarding potential fate of such compounds in the environment. The results also show the role that soil OM and mineral surfaces play in sequestering or transporting these chemicals. These insights have implications to the quality of the water resources in our communities.

Product bundling in global ocean transportation

NARCIS (Netherlands)

M. Acciaro (Michele); H. Haralambides (Hercules)

2008-01-01

textabstractThere are over 20 'components' in an international door-to-door transportation, ranging from warehousing and distribution, to forwarding, documentation, transportation, customs clearance, etc.. As tariffs in ocean transportation tend to converge due to competition and service

Magnetically Modulated Heat Transport in a Global Simulation of Solar Magneto-convection

Energy Technology Data Exchange (ETDEWEB)

Cossette, Jean-Francois [Laboratory for Atmospheric and Space Physics, Campus Box 600, University of Colorado, Boulder, CO 80303 (United States); Charbonneau, Paul [Département de Physique, Université de Montréal, C.P. 6128, Succ. Centre-Ville, Montréal, QC H3C 3J7 (Canada); Smolarkiewicz, Piotr K. [European Centre for Medium-Range Weather Forecasts, Reading, RG2 9AX (United Kingdom); Rast, Mark P., E-mail: Jean-Francois.Cossette@lasp.colorado.edu, E-mail: paulchar@astro.umontreal.ca, E-mail: smolar@ecmwf.int, E-mail: Mark.Rast@lasp.colorado.edu [Department of Astrophysical and Planetary Sciences, Laboratory for Atmospheric and Space Physics, Campus Box 391, University of Colorado, Boulder, CO 80303 (United States)

2017-05-20

We present results from a global MHD simulation of solar convection in which the heat transported by convective flows varies in-phase with the total magnetic energy. The purely random initial magnetic field specified in this experiment develops into a well-organized large-scale antisymmetric component undergoing hemispherically synchronized polarity reversals on a 40 year period. A key feature of the simulation is the use of a Newtonian cooling term in the entropy equation to maintain a convectively unstable stratification and drive convection, as opposed to the specification of heating and cooling terms at the bottom and top boundaries. When taken together, the solar-like magnetic cycle and the convective heat flux signature suggest that a cyclic modulation of the large-scale heat-carrying convective flows could be operating inside the real Sun. We carry out an analysis of the entropy and momentum equations to uncover the physical mechanism responsible for the enhanced heat transport. The analysis suggests that the modulation is caused by a magnetic tension imbalance inside upflows and downflows, which perturbs their respective contributions to heat transport in such a way as to enhance the total convective heat flux at cycle maximum. Potential consequences of the heat transport modulation for solar irradiance variability are briefly discussed.

A comparison of chemical compositions of reported altered oceanic crusts and global MORB data set: implication for isotopic heterogeneity of recycled materials

Science.gov (United States)

Shimoda, G.; Kogiso, T.

2017-12-01

Chemical composition of altered oceanic crust is one of important constraints to delineate chemical heterogeneity of the mantle. Accordingly, many researchers have been studied to determine bulk chemical composition of altered oceanic crust mainly based on chemical compositions of old oceanic crusts at Site 801 and Site 417/418, and young crust at Site 504 (e.g., Staudigel et al., 1996; Bach et al. 2003; Kuo et al., 2016). Their careful estimation provided reliable bulk chemical compositions of these Sites and revealed common geochemical feature of alteration. To assess effect of recycling of altered oceanic crust on chemical evolution of the mantle, it might be meaningful to discuss whether the reported chemical compositions of altered oceanic crusts can represent chemical composition of globally subducted oceanic crusts. Reported chemical compositions of fresh glass or less altered samples from Site 801, 417/418 and 504 were highly depleted compared to that of global MORB reported by Gale et al. (2013), suggesting that there might be sampling bias. Hence, it could be important to consider chemical difference between oceanic crusts of these three Sites and global MORB to discuss effect of recycling of oceanic crust on isotopic heterogeneity of the mantle. It has been suggested that one of controlling factors of chemical variation of oceanic crust is crustal spreading rate because different degree of partial melting affects chemical composition of magmas produced at a mid-ocean ridge. Crustal spreading rate could also affect intensity of alteration. Namely, oceanic crusts produced at slow-spreading ridges may prone to be altered due to existence of larger displacement faults compared to fast spreading ridges which have relatively smooth topography. Thus, it might be significant to evaluate isotopic evolution of oceanic crusts those were produced at different spreading rates. In this presentation, we will provide a possible chemical variation of altered oceanic

Peak globalization. Climate change, oil depletion and global trade

Energy Technology Data Exchange (ETDEWEB)

Curtis, Fred [Department of Economics, Drew University, Madison, NJ 07940 (United States)

2009-12-15

The global trade in goods depends upon reliable, inexpensive transportation of freight along complex and long-distance supply chains. Global warming and peak oil undermine globalization by their effects on both transportation costs and the reliable movement of freight. Countering the current geographic pattern of comparative advantage with higher transportation costs, climate change and peak oil will thus result in peak globalization, after which the volume of exports will decline as measured by ton-miles of freight. Policies designed to mitigate climate change and peak oil are very unlikely to change this result due to their late implementation, contradictory effects and insufficient magnitude. The implication is that supply chains will become shorter for most products and that production of goods will be located closer to where they are consumed. (author)

Peak globalization. Climate change, oil depletion and global trade

International Nuclear Information System (INIS)

Curtis, Fred

2009-01-01

The global trade in goods depends upon reliable, inexpensive transportation of freight along complex and long-distance supply chains. Global warming and peak oil undermine globalization by their effects on both transportation costs and the reliable movement of freight. Countering the current geographic pattern of comparative advantage with higher transportation costs, climate change and peak oil will thus result in peak globalization, after which the volume of exports will decline as measured by ton-miles of freight. Policies designed to mitigate climate change and peak oil are very unlikely to change this result due to their late implementation, contradictory effects and insufficient magnitude. The implication is that supply chains will become shorter for most products and that production of goods will be located closer to where they are consumed. (author)

Long-range transport of airborne microbes over the global tropical and subtropical ocean

KAUST Repository

Mayol, Eva; Arrieta, J M; Jimé nez, Maria A.; Martí nez-Asensio, Adriá n; Garcias Bonet, Neus; Dachs, Jordi; Gonzá lez-Gaya, Belé n; Royer, Sarah-J.; Bení tez-Barrios, Veró nica M.; Fraile-Nuez, Eugenio; Duarte, Carlos M.

2017-01-01

The atmosphere plays a fundamental role in the transport of microbes across the planet but it is often neglected as a microbial habitat. Although the ocean represents two thirds of the Earth's surface, there is little information on the atmospheric microbial load over the open ocean. Here we provide a global estimate of microbial loads and air-sea exchanges over the tropical and subtropical oceans based on the data collected along the Malaspina 2010 Circumnavigation Expedition. Total loads of airborne prokaryotes and eukaryotes were estimated at 2.2 × 1021 and 2.1 × 1021 cells, respectively. Overall 33-68% of these microorganisms could be traced to a marine origin, being transported thousands of kilometres before re-entering the ocean. Moreover, our results show a substantial load of terrestrial microbes transported over the oceans, with abundances declining exponentially with distance from land and indicate that islands may act as stepping stones facilitating the transoceanic transport of terrestrial microbes.The extent to which the ocean acts as a sink and source of airborne particles to the atmosphere is unresolved. Here, the authors report high microbial loads over the tropical Atlantic, Pacific and Indian oceans and propose islands as stepping stones for the transoceanic transport of terrestrial microbes..

Long-range transport of airborne microbes over the global tropical and subtropical ocean

KAUST Repository

Mayol, Eva

2017-07-28

The atmosphere plays a fundamental role in the transport of microbes across the planet but it is often neglected as a microbial habitat. Although the ocean represents two thirds of the Earth\\'s surface, there is little information on the atmospheric microbial load over the open ocean. Here we provide a global estimate of microbial loads and air-sea exchanges over the tropical and subtropical oceans based on the data collected along the Malaspina 2010 Circumnavigation Expedition. Total loads of airborne prokaryotes and eukaryotes were estimated at 2.2 × 1021 and 2.1 × 1021 cells, respectively. Overall 33-68% of these microorganisms could be traced to a marine origin, being transported thousands of kilometres before re-entering the ocean. Moreover, our results show a substantial load of terrestrial microbes transported over the oceans, with abundances declining exponentially with distance from land and indicate that islands may act as stepping stones facilitating the transoceanic transport of terrestrial microbes.The extent to which the ocean acts as a sink and source of airborne particles to the atmosphere is unresolved. Here, the authors report high microbial loads over the tropical Atlantic, Pacific and Indian oceans and propose islands as stepping stones for the transoceanic transport of terrestrial microbes..

Vadose Zone Fate and Transport Simulation of Chemicals Associated with Coal Seam Gas Extraction

Science.gov (United States)

Simunek, J.; Mallants, D.; Jacques, D.; Van Genuchten, M.

2017-12-01

The HYDRUS-1D and HYDRUS (2D/3D) computer software packages are widely used finite element models for simulating the one-, and two- or three-dimensional movement of water, heat, and multiple solutes in variably-saturated media, respectively. While the standard HYDRUS models consider only the fate and transport of individual solutes or solutes subject to first-order degradation reactions, several specialized HYDRUS add-on modules can simulate far more complex biogeochemical processes. The objective of this presentation is to provide an overview of the HYDRUS models and their add-on modules, and to demonstrate applications of the software to the subsurface fate and transport of chemicals involved in coal seam gas extraction and water management operations. One application uses the standard HYDRUS model to evaluate the natural soil attenuation potential of hydraulic fracturing chemicals and their transformation products in case of an accidental release. By coupling the processes of retardation, first-order degradation and convective-dispersive transport of the biocide bronopol and its degradation products, we demonstrated how natural attenuation reduces initial concentrations by more than a factor of hundred in the top 5 cm of the vadose zone. A second application uses the UnsatChem module to explore the possible use of coal seam gas produced water for sustainable irrigation. Simulations with different irrigation waters (untreated, amended with surface water, and reverse osmosis treated) provided detailed results regarding chemical indicators of soil and plant health, notably SAR, EC and sodium concentrations. A third application uses the coupled HYDRUS-PHREEQC module to analyze trace metal transport involving cation exchange and surface complexation sorption reactions in the vadose zone leached with coal seam gas produced water following some accidental water release scenario. Results show that the main process responsible for trace metal migration is complexation of

Internal Domains of Natural Porous Media Revealed: Critical Locations for Transport, Storage, and Chemical Reaction

Energy Technology Data Exchange (ETDEWEB)

Zachara, John M.; Brantley, Susan L.; Chorover, Jon D.; Ewing, Robert P.; Kerisit, Sebastien N.; Liu, Chongxuan; Perfect, E.; Rother, Gernot; Stack, Andrew G.

2016-03-16

Internal pore domains exist within rocks, lithic fragments, subsurface sediments and soil aggregates. These domains, which we term internal domains in porous media (IDPM), contain a significant fraction of their porosity as nanopores, dominate the reactive surface area of diverse porous media types, and are important locations for chemical reactivity and hydrocarbon storage. Traditionally difficult to interrogate, advances in instrumentation and imaging methods are providing new insights on the physical structures and chemical attributes of IDPM. In this review we: discuss analytical methods to characterize IDPM, evaluate what has been learned about their size distributions, connectivity, and extended structures; determine whether they exhibit unique chemical reactivity; and assess potential for their inclusion in reactive transport models. Three key findings are noteworthy. 1) A combination of methods now allows complete characterization of the porosity spectrum of natural materials and its connectivity; while imaging microscopies are providing three dimensional representations of the interconnected pore network. 2) Chemical reactivity in pores <10 nm is expected to be different from micro and macropores, yet research performed to date is inconclusive on the nature, direction, and magnitude of effect. 3) Existing continuum reactive transport models treat IDPM as a sub-grid feature with average, empirical, scale-dependent parameters; and are not formulated to include detailed information on pore networks. Overall we find that IDPM are key features controlling hydrocarbon release from shales in hydrofracking systems, organic matter stabilization and recalcitrance in soil, weathering and soil formation, and long term inorganic and organic contaminant behavior in the vadose zone and groundwater. We conclude with an assessment of impactful research opportunities to advance understanding of IDPM, and to incorporate their important effects in reactive transport models

Second Generation Reusable Launch Vehicle Development and Global Competitiveness of US Space Transportation Industry: Critical Success Factors Assessment

Science.gov (United States)

Enyinda, Chris I.

2002-01-01

In response to the unrelenting call in both public and private sectors fora to reduce the high cost associated with space transportation, many innovative partially or fully RLV (Reusable Launch Vehicles) designs (X-34-37) were initiated. This call is directed at all levels of space missions including scientific, military, and commercial and all aspects of the missions such as nonrecurring development, manufacture, launch, and operations. According to Wertz, tbr over thirty years, the cost of space access has remained exceedingly high. The consensus in the popular press is that to decrease the current astronomical cost of access to space, more safer, reliable, and economically viable second generation RLVs (SGRLV) must be developed. Countries such as Brazil, India, Japan, and Israel are now gearing up to enter the global launch market with their own commercial space launch vehicles. NASA and the US space launch industry cannot afford to lag behind. Developing SGRLVs will immeasurably improve the US's space transportation capabilities by helping the US to regain the global commercial space markets while supporting the transportation capabilities of NASA's space missions, Developing the SGRLVs will provide affordable commercial space transportation that will assure the competitiveness of the US commercial space transportation industry in the 21st century. Commercial space launch systems are having difficulty obtaining financing because of the high cost and risk involved. Access to key financial markets is necessary for commercial space ventures. However, public sector programs in the form of tax incentives and credits, as well as loan guarantees are not yet available. The purpose of this paper is to stimulate discussion and assess the critical success factors germane for RLVs development and US global competitiveness.

Chemical Equilibrium And Transport (CET)

Science.gov (United States)

Mcbride, B. J.

1991-01-01

Powerful, machine-independent program calculates theoretical thermodynamic properties of chemical systems. Aids in design of compressors, turbines, engines, heat exchangers, and chemical processing equipment.

Improving the representation of secondary organic aerosol (SOA in the MOZART-4 global chemical transport model

Directory of Open Access Journals (Sweden)

A. Mahmud

2013-07-01

Full Text Available The secondary organic aerosol (SOA module in the Model for Ozone and Related Chemical Tracers, version 4 (MOZART-4 was updated by replacing existing two-product (2p parameters with those obtained from two-product volatility basis set (2p-VBS fits (MZ4-C1, and by treating SOA formation from the following additional volatile organic compounds (VOCs: isoprene, propene and lumped alkenes (MZ4-C2. Strong seasonal and spatial variations in global SOA distributions were demonstrated, with significant differences in the predicted concentrations between the base case and updated model simulations. Updates to the model resulted in significant increases in annual average SOA mass concentrations, particularly for the MZ4-C2 simulation in which the additional SOA precursor VOCs were treated. Annual average SOA concentrations predicted by the MZ4-C2 simulation were 1.00 ± 1.04 μg m−3 in South America, 1.57 ± 1.88 μg m−3 in Indonesia, 0.37 ± 0.27 μg m−3 in the USA, and 0.47 ± 0.29 μg m−3 in Europe with corresponding increases of 178, 406, 311 and 292% over the base-case simulation, respectively, primarily due to inclusion of isoprene. The increases in predicted SOA mass concentrations resulted in corresponding increases in SOA contributions to annual average total aerosol optical depth (AOD by ~ 1–6%. Estimated global SOA production was 5.8, 6.6 and 19.1 Tg yr−1 with corresponding burdens of 0.22, 0.24 and 0.59 Tg for the base-case, MZ4-C1 and MZ4-C2 simulations, respectively. The predicted SOA budgets fell well within reported ranges for comparable modeling studies, 6.7 to 96 Tg yr−1, but were lower than recently reported observationally constrained values, 50 to 380 Tg yr−1. For MZ4-C2, simulated SOA concentrations at the surface also were in reasonable agreement with comparable modeling studies and observations. Total organic aerosol (OA mass concentrations at the surface, however, were slightly over-predicted in Europe, Amazonian

Air transport and tourism of Montenegro in terms of global recession

Directory of Open Access Journals (Sweden)

Radulović Ljiljana

2012-01-01

Full Text Available Today's dynamic environment can be characterized as unstable and unpredictable, which significantly affects the development of tourism and the flow of air traffic management which is why the tourism industry should be understood as a process based on continuous research, analysis and understanding of the interactions between the identified changes. Starting from the geographical position and strategic documents on Transport and Tourism, Montenegro is positioned as a air traffic destination whose success in the tourism market is conditioned by the willingness and ability of the holder of the tourist and transport policy pursuant to the challenges of today's approaches to planning and precisely define the development goals and courses of action. Based on the above and due recognition of the economic crisis as the challenges that face our country emphasized the need to analyze the effects of the global economic crisis on the performance of air traffic and future development of tourism in Montenegro. With the intention of the comprehensive observation of the current situation, this paper will present quantitative data from the previous period with the development of air traffic forecasts, organized under the development of Montenegrin tourism. In this way we want the consequences of the global economic crisis displayed as a serious threat to the development of air traffic and tourism in Montenegro, with the ultimate aim of highlighting the importance of establishing high-quality air traffic as part of an integrated approach to tourism development of our country that can achieve a certain degree of resistance to contemporary challenges.

Applications of Process Synthesis: Moving from Conventional Chemical Processes towards Biorefinery Processes

DEFF Research Database (Denmark)

Yuan, Zhihong; Chen, Bingzhen; Gani, Rafiqul

2013-01-01

Concerns about diminishing petroleum reserves, enhanced worldwide demand for fuels and fluctuations in the global oil market, together with climate change and national security have promoted many initiatives for exploring alternative, non-petroleum based processes. Among these initiatives......, biorefinery processes for converting biomass-derived carbohydrates into transportation fuels and chemicals are now gaining more and more attention from both academia and industry. Process synthesis, which has played a vital role for the development, design and operation of (petro) chemical processes, can...

The Pricing Evolution in the Air Transportation Industry. Implication for the Romanian Tourism Sector in the Era of Globalization

Directory of Open Access Journals (Sweden)

Andreea Marin-Pantelescu

2016-06-01

Full Text Available The globalization process involves the liberalization of the services and the air transportation industry is responsive to this reality. There is a developing tendency for global alliances and strategies in major airline companies. The globalization implies extending service networks in the whole world. Currently we are witnessing lower prices for domestic and foreign airline flights with benefits for the tourists’ business and leisure activities. The last minute offers and early booking prices provide a win-win situation, for the airline companies on one side and for the customers on the other side. The positive online reviews influence people buying decision because customers are more sensitive than ever to the services prices. Under this condition it is very interesting to see the evolution of pricing in the air transportation industry and the implication for the Romanian tourism sector.

Recovery of rare earths from used polishes by chemical vapor transport process

International Nuclear Information System (INIS)

Ozaki, T.; Machida, K.; Adachi, G.

1998-01-01

Full text: Rare earth oxide polishes are widely used in the glass industry because of its mechanical and chemical polishing action. The Japanese glass industry use 2000 tons per year of the polishes, and a large portion of them are thrown away after their polishing lifetime. A dry recovery processes for rare earths from the used polishes have been investigated by using a chemical vapor transport method via the formation of vapor complexes RAl n Cl 3+3n (R = rare earths). A flow type reactor with various temperature gradients was employed for the process. The used polishes were mixed with active carbon, and chlorinated with N 2 + Cl 2 mixture at 1273 K. Aluminium oxide were also chlorinated at lower temperature and the resulting AlCl 3 were introduced to the reactor. The rare earth chlorides and AlCl 3 were converted to the vapor complexes. These were driven along the temperature gradient, decomposed according to the reverse reaction, and regenerated RCl 3 . About 90 % of the used polish were chlorinated after 2 hours. Rare earth chlorides, AlCl 3 , and FeCl 3 were fully transported after 82 hours. The rare earth chlorides were mainly condensed over the temperature range 1263-903 K. On the other hand, AlCl 3 and FeCl 3 were deposited at the temperature range below 413 K. CaCl 2 and SrCl 2 were hardly transported and remained in the residue. When the temperature gradient with the smaller slope was used, mutual separation efficiencies among the rare earths was improved. The highest CeCl 3 purity of 80% was obtained in the process

BETR Global - A geographically explicit global-scale multimedia contaminant fate model

Energy Technology Data Exchange (ETDEWEB)

Macleod, M.; Waldow, H. von; Tay, P.; Armitage, J. M.; Wohrnschimmel, H.; Riley, W.; McKone, T. E.; Hungerbuhler, K.

2011-04-01

We present two new software implementations of the BETR Global multimedia contaminant fate model. The model uses steady-state or non-steady-state mass-balance calculations to describe the fate and transport of persistent organic pollutants using a desktop computer. The global environment is described using a database of long-term average monthly conditions on a 15{sup o} x 15{sup o} grid. We demonstrate BETR Global by modeling the global sources, transport, and removal of decamethylcyclopentasiloxane (D5).

Global existence of weak solutions to dissipative transport equations with nonlocal velocity

Science.gov (United States)

Bae, Hantaek; Granero-Belinchón, Rafael; Lazar, Omar

2018-04-01

We consider 1D dissipative transport equations with nonlocal velocity field: where is a nonlocal operator given by a Fourier multiplier. We especially consider two types of nonlocal operators: (1) , the Hilbert transform, (2) . In this paper, we show several global existence of weak solutions depending on the range of γ, δ and α. When , we take initial data having finite energy, while we take initial data in weighted function spaces (in the real variables or in the Fourier variables), which have infinite energy, when .

Global emission inventory and atmospheric transport of black carbon. Evaluation of the associated exposure

Energy Technology Data Exchange (ETDEWEB)

Wang, Rong

2015-06-01

This thesis presents research focusing on the improvement of high-resolution global black carbon (BC) emission inventory and application in assessing the population exposure to ambient BC. A particular focus of the thesis is on the construction of a high-resolution (both spatial and sectorial) fuel consumption database, which is used to develop the emission inventory of black carbon. Above all, the author updates the global emission inventory of black carbon, a resource subsequently used to study the atmospheric transport of black carbon over Asia with the help of a high-resolution nested model. The thesis demonstrates that spatial bias in fuel consumption and BC emissions can be reduced by means of the sub-national disaggregation approach. Using the inventory and nested model, ambient BC concentrations can be better validated against observations. Lastly, it provides a complete uncertainty analysis of global black carbon emissions, and this uncertainty is taken into account in the atmospheric modeling, helping to better understand the role of black carbon in regional and global air pollution.

BETR global - A geographically-explicit global-scale multimedia contaminant fate model

International Nuclear Information System (INIS)

MacLeod, Matthew; Waldow, Harald von; Tay, Pascal; Armitage, James M.; Woehrnschimmel, Henry; Riley, William J.; McKone, Thomas E.; Hungerbuhler, Konrad

2011-01-01

We present two new software implementations of the BETR Global multimedia contaminant fate model. The model uses steady-state or non-steady-state mass-balance calculations to describe the fate and transport of persistent organic pollutants using a desktop computer. The global environment is described using a database of long-term average monthly conditions on a 15 o x 15 o grid. We demonstrate BETR Global by modeling the global sources, transport, and removal of decamethylcyclopentasiloxane (D5). - Two new software implementations of the Berkeley-Trent Global Contaminant Fate Model are available. The new model software is illustrated using a case study of the global fate of decamethylcyclopentasiloxane (D5).

Mineral-leaching chemical transport with runoff and sediment from severely eroded rare-earth tailings in southern China

Science.gov (United States)

Lu, Huizhong; Cao, Longxi; Liang, Yin; Yuan, Jiuqin; Zhu, Yayun; Wang, Yi; Gu, Yalan; Zhao, Qiguo

2017-08-01

Rare-earth mining has led to severe soil erosion in southern China. Furthermore, the presence of the mineral-leaching chemical ammonium sulfate in runoff and sediment poses a serious environmental threat to downstream water bodies. In this paper, the characteristics of mineral-leaching chemicals in surface soil samples collected in the field were studied. In addition, NH4+ and SO42- transport via soil erosion was monitored using runoff and sediment samples collected during natural rainfall processes. The results demonstrated that the NH4+ contents in the surface sediment deposits increased from the top of the heap (6.56 mg kg-1) to the gully (8.23 mg kg-1) and outside the tailing heap (13.03 mg kg-1). The contents of SO42- in the different locations of the tailing heaps ranged from 27.71 to 40.33 mg kg-1. During typical rainfall events, the absorbed NH4+ concentrations (2.05, 1.26 mg L-1) in runoff were significantly higher than the dissolved concentrations (0.93, 1.04 mg L-1), while the absorbed SO42- concentrations (2.87, 1.92 mg L-1) were significantly lower than the dissolved concentrations (6.55, 7.51 mg L-1). The dissolved NH4+ and SO42- concentrations in runoff displayed an exponentially decreasing tendency with increasing transport distance (Y = 1. 02 ṡ exp( - 0. 00312X); Y = 3. 34 ṡ exp( - 0. 0185X)). No clear trend with increasing distance was observed for the absorbed NH4+ and SO42- contents in transported sediment. The NH4+ and SO42- contents had positive correlations with the silt and clay ratio in transported sediment but negative correlations with the sand ratio. These results provide a better understanding of the transport processes and can be used to develop equations to predict the transport of mineral-leaching chemicals in rare-earth tailings, which can provide a scientific foundation for erosion control and soil management in rare-earth tailing regions in southern China.

Electron transport characteristics of silicon nanowires by metal-assisted chemical etching

Energy Technology Data Exchange (ETDEWEB)

Qi, Yangyang; Wang, Zhen; Zhang, Mingliang; Wang, Xiaodong, E-mail: xdwang@semi.ac.cn; Ji, An; Yang, Fuhua [Engineering Research Center for Semiconductor Integrated Technology, Institute of Semiconductors, Chinese Academy of Sciences, Beijing, 100083 (China)

2014-03-15

The electron transport characteristics of silicon nanowires (SiNWs) fabricated by metal-assisted chemical etching with different doping concentrations were studied. By increasing the doping concentration of the starting Si wafer, the resulting SiNWs were prone to have a rough surface, which had important effects on the contact and the electron transport. A metal-semiconductor-metal model and a thermionic field emission theory were used to analyse the current-voltage (I-V) characteristics. Asymmetric, rectifying and symmetric I-V curves were obtained. The diversity of the I-V curves originated from the different barrier heights at the two sides of the SiNWs. For heavily doped SiNWs, the critical voltage was one order of magnitude larger than that of the lightly doped, and the resistance obtained by differentiating the I-V curves at large bias was also higher. These were attributed to the lower electron tunnelling possibility and higher contact barrier, due to the rough surface and the reduced doping concentration during the etching process.

Electron transport characteristics of silicon nanowires by metal-assisted chemical etching

Science.gov (United States)

Qi, Yangyang; Wang, Zhen; Zhang, Mingliang; Wang, Xiaodong; Ji, An; Yang, Fuhua

2014-03-01

The electron transport characteristics of silicon nanowires (SiNWs) fabricated by metal-assisted chemical etching with different doping concentrations were studied. By increasing the doping concentration of the starting Si wafer, the resulting SiNWs were prone to have a rough surface, which had important effects on the contact and the electron transport. A metal-semiconductor-metal model and a thermionic field emission theory were used to analyse the current-voltage (I-V) characteristics. Asymmetric, rectifying and symmetric I-V curves were obtained. The diversity of the I-V curves originated from the different barrier heights at the two sides of the SiNWs. For heavily doped SiNWs, the critical voltage was one order of magnitude larger than that of the lightly doped, and the resistance obtained by differentiating the I-V curves at large bias was also higher. These were attributed to the lower electron tunnelling possibility and higher contact barrier, due to the rough surface and the reduced doping concentration during the etching process.

Development of CO2 inversion system based on the adjoint of the global coupled transport model

Science.gov (United States)

Belikov, Dmitry; Maksyutov, Shamil; Chevallier, Frederic; Kaminski, Thomas; Ganshin, Alexander; Blessing, Simon

2014-05-01

We present the development of an inverse modeling system employing an adjoint of the global coupled transport model consisting of the National Institute for Environmental Studies (NIES) Eulerian transport model (TM) and the Lagrangian plume diffusion model (LPDM) FLEXPART. NIES TM is a three-dimensional atmospheric transport model, which solves the continuity equation for a number of atmospheric tracers on a grid spanning the entire globe. Spatial discretization is based on a reduced latitude-longitude grid and a hybrid sigma-isentropic coordinate in the vertical. NIES TM uses a horizontal resolution of 2.5°×2.5°. However, to resolve synoptic-scale tracer distributions and to have the ability to optimize fluxes at resolutions of 0.5° and higher we coupled NIES TM with the Lagrangian model FLEXPART. The Lagrangian component of the forward and adjoint models uses precalculated responses of the observed concentration to the surface fluxes and 3-D concentrations field simulated with the FLEXPART model. NIES TM and FLEXPART are driven by JRA-25/JCDAS reanalysis dataset. Construction of the adjoint of the Lagrangian part is less complicated, as LPDMs calculate the sensitivity of measurements to the surrounding emissions field by tracking a large number of "particles" backwards in time. Developing of the adjoint to Eulerian part was performed with automatic differentiation tool the Transformation of Algorithms in Fortran (TAF) software (http://www.FastOpt.com). This method leads to the discrete adjoint of NIES TM. The main advantage of the discrete adjoint is that the resulting gradients of the numerical cost function are exact, even for nonlinear algorithms. The overall advantages of our method are that: 1. No code modification of Lagrangian model is required, making it applicable to combination of global NIES TM and any Lagrangian model; 2. Once run, the Lagrangian output can be applied to any chemically neutral gas; 3. High-resolution results can be obtained over

Speciation of anthropogenic emissions of non-methane volatile organic compounds: a global gridded data set for 1970–2012

Directory of Open Access Journals (Sweden)

G. Huang

2017-06-01

Full Text Available Non-methane volatile organic compounds (NMVOCs include a large number of chemical species which differ significantly in their chemical characteristics and thus in their impacts on ozone and secondary organic aerosol formation. It is important that chemical transport models (CTMs simulate the chemical transformation of the different NMVOC species in the troposphere consistently. In most emission inventories, however, only total NMVOC emissions are reported, which need to be decomposed into classes to fit the requirements of CTMs. For instance, the Emissions Database for Global Atmospheric Research (EDGAR provides spatially resolved global anthropogenic emissions of total NMVOCs. In this study the EDGAR NMVOC inventory was revised and extended in time and in sectors. Moreover the new version of NMVOC emission data in the EDGAR database were disaggregated on a detailed sector resolution to individual species or species groups, thus enhancing the usability of the NMVOC emission data by the modelling community. Region- and source-specific speciation profiles of NMVOC species or species groups are compiled and mapped to EDGAR processes (detailed resolution of sectors, with corresponding quality codes specifying the quality of the mapping. Individual NMVOC species in different profiles are aggregated to 25 species groups, in line with the common classification of the Global Emissions Initiative (GEIA. Global annual grid maps with a resolution of 0.1°  ×  0.1° for the period 1970–2012 are produced by sector and species. Furthermore, trends in NMVOC composition are analysed, taking road transport and residential sources in Germany and the United Kingdom (UK as examples.

Ion transport by gating voltage to nanopores produced via metal-assisted chemical etching method

Science.gov (United States)

Van Toan, Nguyen; Inomata, Naoki; Toda, Masaya; Ono, Takahito

2018-05-01

In this work, we report a simple and low-cost way to create nanopores that can be employed for various applications in nanofluidics. Nano sized Ag particles in the range from 1 to 20 nm are formed on a silicon substrate with a de-wetting method. Then the silicon nanopores with an approximate 15 nm average diameter and 200 μm height are successfully produced by the metal-assisted chemical etching method. In addition, electrically driven ion transport in the nanopores is demonstrated for nanofluidic applications. Ion transport through the nanopores is observed and could be controlled by an application of a gating voltage to the nanopores.

Global changes and the air-sea exchange of chemicals

International Nuclear Information System (INIS)

1991-01-01

Present and potential future changes to the global environment have important implications for marine pollution and for the air-sea exchange of both anthropogenic and natural substances. This report addresses three issues related to the potential impact of global change on the air-sea exchange of chemicals: Global change and the air-sea transfer of the nutrients nitrogen and iron. Global change and the air-sea exchange of gases. Oceanic responses to radiative and oxidative changes in the atmosphere. The deposition of atmospheric anthropogenic nitrogen has probably increased biological productivity in coastal regions along many continental margins. Atmospheric deposition of new nitrogen may also have increased productivity somewhat in mid-ocean regions. The projected future increases of nitrogen oxide emissions from Asia, Africa and South America will provide significant increases in the rate of deposition of oxidized nitrogen to the central North Pacific, the equatorial Atlantic, and the equatorial and central South Indian Oceans. Atmospheric iron may be an important nutrient in certain open regions. Future changes will likely occur if there are changing patterns of aridity and wind speed as a result of climate change. The most important future effects on surface ocean p CO2 will likely be caused by changes in ocean circulation. The pH of the ocean would decrease by ∼0.3 units for a doubling of p CO2 , reducing the capacity of the ocean to take up CO 2 . There is increasing evidence that dimethyl sulfide from the ocean is a source of cloud condensation nuclei and thus a factor controlling cloud albedo. By 2060 in the southern hemisphere reduction in total column stratospheric ozone from recent levels could reach 2 to 5% in the tropics, 10% at mid latitudes, and over 20% at 60 deg C. S. In this same time frame increases in ground-level effective UV-B radiation could reach 5%, 26% and 66%, at low, mid, and high latitudes in the southern hemisphere. Changes in

Lagrangian transport model forecasts and a transport climatology for the Intercontinental Transport and Chemical Transformation 2002 (ITCT 2K2) measurement campaign

Science.gov (United States)

Forster, Caroline; Cooper, Owen; Stohl, Andreas; Eckhardt, Sabine; James, Paul; Dunlea, Edward; Nicks, Dennis K.; Holloway, John S.; Hübler, Gerd; Parrish, David D.; Ryerson, Tom B.; Trainer, Michael

2004-04-01

On the basis of Lagrangian tracer transport simulations this study presents an intercontinental transport climatology and tracer forecasts for the Intercontinental Transport and Chemical Transformation 2002 (ITCT 2K2) aircraft measurement campaign, which took place at Monterey, California, in April-May 2002 to measure Asian pollution arriving at the North American West Coast. For the climatology the average transport of an Asian CO tracer was calculated over a time period of 15 years using the particle dispersion model FLEXPART. To determine by how much the transport from Asia to North America during ITCT 2K2 deviated from the climatological mean, the 15-year average for April and May was compared with the average for April and May 2002 and that for the ITCT 2K2 period. It was found that 8% less Asian CO tracer arrived at the North American West Coast during the ITCT 2K2 period compared to the climatological mean. Below 8-km altitude, the maximum altitude of the research aircraft, 13% less arrived. Nevertheless, pronounced layers of Asian pollution were measured during 3 of the 13 ITCT 2K2 flights. FLEXPART was also successfully used as a forecasting tool for the flight planning during ITCT 2K2. It provided 3-day forecasts for three different anthropogenic CO tracers originating from Asia, North America, and Europe. In two case studies the forecast abilities of FLEXPART are analyzed and discussed by comparing the forecasts with measurement data and infrared satellite images. The model forecasts underestimated the measured CO enhancements by about a factor of 4, mainly because of an underestimation of the Asian emissions in the emission inventory and because of biomass-burning influence that was not modeled. Nevertheless, the intercontinental transport and dispersion of pollution plumes were qualitatively well predicted, and on the basis of the model results the aircraft could successfully be guided into the polluted air masses.

Few-Group Transport Analysis of the Core-Reflector Problem in Fast Reactor Cores via Equivalent Group Condensation and Local/Global Iteration

International Nuclear Information System (INIS)

Won, Jong Hyuck; Cho, Nam Zin

2011-01-01

In deterministic neutron transport methods, a process called fine-group to few-group condensation is used to reduce the computational burden. However, recent results on the core-reflector problem in fast reactor cores show that use of a small number of energy groups has limitation to describe neutron flux around core reflector interface. Therefore, researches are still ongoing to overcome this limitation. Recently, the authors proposed I) direct application of equivalently condensed angle-dependent total cross section to discrete ordinates method to overcome the limitation of conventional multi-group approximations, and II) local/global iteration framework in which fine-group discrete ordinates calculation is used in local problems while few-group transport calculation is used in the global problem iteratively. In this paper, an analysis of the core-reflector problem is performed in few-group structure using equivalent angle-dependent total cross section with local/global iteration. Numerical results are obtained under S 12 discrete ordinates-like transport method with scattering cross section up to P1 Legendre expansion

Simulating the Fate and Transport of Coal Seam Gas Chemicals in Variably-Saturated Soils Using HYDRUS

Directory of Open Access Journals (Sweden)

Dirk Mallants

2017-05-01

Full Text Available The HYDRUS-1D and HYDRUS (2D/3D computer software packages are widely used finite element models for simulating the one-, and two- or three-dimensional movement of water, heat, and multiple solutes in variably-saturated media, respectively. While the standard HYDRUS models consider only the fate and transport of individual solutes or solutes subject to first-order degradation reactions, several specialized HYDRUS add-on modules can simulate far more complex biogeochemical processes. The objective of this paper is to provide a brief overview of the HYDRUS models and their add-on modules, and to demonstrate possible applications of the software to the subsurface fate and transport of chemicals involved in coal seam gas extraction and water management operations. One application uses the standard HYDRUS model to evaluate the natural soil attenuation potential of hydraulic fracturing chemicals and their transformation products in case of an accidental release. By coupling the processes of retardation, first-order degradation and convective-dispersive transport of the biocide bronopol and its degradation products, we demonstrated how natural attenuation reduces initial concentrations by more than a factor of hundred in the top 5 cm of the soil. A second application uses the UnsatChem module to explore the possible use of coal seam gas produced water for sustainable irrigation. Simulations with different irrigation waters (untreated, amended with surface water, and reverse osmosis treated provided detailed results regarding chemical indicators of soil and plant health, notably SAR, EC and sodium concentrations. A third application uses the HP1 module to analyze trace metal transport involving cation exchange and surface complexation sorption reactions in a soil leached with coal seam gas produced water following some accidental water release scenario. Results show that the main process responsible for trace metal migration in soil is complexation of

Global production chains in the fast fashion sector, transports and logistics: the case of the Spanish retailer Inditex

Directory of Open Access Journals (Sweden)

Ana Isabel Escalona Orcao

2014-01-01

Full Text Available Recent geographical analyses of global production networks in different economic sectors demonstrate that little attention has been paid to the logistical and transport systems through which networks are fully integrated. This paper on Inditex, a leading firm in the fast fashion sector, addresses this lack of attention and analyses how transport and logistics fit into the production network and provide the firm with one of its most notable competitive advantages. We describe the network of shops and manufacturing, present the principles of the logistical model, and provide details of the procedures applied for the functional and geographical integration of the chain of production of Zara, the best known of the company’s 11 brands. The analysis highlights the growing use of air transport in supplying chains of high-fashion-content products manufactured in distant countries and in the distribution of garments to distant markets. The conclusion of the paper is that logistics and transport strategies must be considered because the geographical configuration of global fashion networks increasingly depends on how rapidly the major fashion retailers are able to meet the needs of time-sensitive customers and the appropriate organisational and logistical strategies they adopt for that purpose.

Evidence for the 'grasshopper' effect and fractionation during long-range atmospheric transport of organic contaminants

International Nuclear Information System (INIS)

Gouin, T.; Mackay, D.; Jones, K.C.; Harner, T.; Meijer, S.N.

2004-01-01

Although there is indisputable evidence that long-range atmospheric transport (LRAT) of organic contaminants occurs on a global scale, uncertainties remain about the detailed mechanism and extent of this phenomenon as well as the physical-chemical properties which facilitate LRAT. In this study, we discuss how mass balance models and monitoring data can contribute to a fuller understanding of the mechanism and extent of LRAT. Specifically we address the issues of 'grasshopping' or 'hopping' (the extent to which molecules are subject to multiple hops as distinct from a single emission-deposition event) and 'global fractionation' (the differing behavior of chemicals as they are transported). It is shown that simple mass balance models can be used to assist the interpretation of monitoring data while also providing an instrument that can be used to assess the LRAT potential and the extent of hopping that organic substances may experience. The available evidence supports the notion that many persistent organic pollutants experience varying degrees of 'hopping' during their environmental journey and as a consequence become fractionated with distance from source. - Evidence for global scale fractionation and hopping of POPs is reviewed

Sensitivity of Global Methane Bayesian Inversion to Surface Observation Data Sets and Chemical-Transport Model Resolution

Science.gov (United States)

Lew, E. J.; Butenhoff, C. L.; Karmakar, S.; Rice, A. L.; Khalil, A. K.

2017-12-01

Methane is the second most important greenhouse gas after carbon dioxide. In efforts to control emissions, a careful examination of the methane budget and source strengths is required. To determine methane surface fluxes, Bayesian methods are often used to provide top-down constraints. Inverse modeling derives unknown fluxes using observed methane concentrations, a chemical transport model (CTM) and prior information. The Bayesian inversion reduces prior flux uncertainties by exploiting information content in the data. While the Bayesian formalism produces internal error estimates of source fluxes, systematic or external errors that arise from user choices in the inversion scheme are often much larger. Here we examine model sensitivity and uncertainty of our inversion under different observation data sets and CTM grid resolution. We compare posterior surface fluxes using the data product GLOBALVIEW-CH4 against the event-level molar mixing ratio data available from NOAA. GLOBALVIEW-CH4 is a collection of CH4 concentration estimates from 221 sites, collected by 12 laboratories, that have been interpolated and extracted to provide weekly records from 1984-2008. Differently, the event-level NOAA data records methane mixing ratios field measurements from 102 sites, containing sampling frequency irregularities and gaps in time. Furthermore, the sampling platform types used by the data sets may influence the posterior flux estimates, namely fixed surface, tower, ship and aircraft sites. To explore the sensitivity of the posterior surface fluxes to the observation network geometry, inversions composed of all sites, only aircraft, only ship, only tower and only fixed surface sites, are performed and compared. Also, we investigate the sensitivity of the error reduction associated with the resolution of the GEOS-Chem simulation (4°×5° vs 2°×2.5°) used to calculate the response matrix. Using a higher resolution grid decreased the model-data error at most sites, thereby

Bringing global gyrokinetic turbulence simulations to the transport timescale using a multiscale approach

Science.gov (United States)

Parker, Jeffrey B.; LoDestro, Lynda L.; Told, Daniel; Merlo, Gabriele; Ricketson, Lee F.; Campos, Alejandro; Jenko, Frank; Hittinger, Jeffrey A. F.

2018-05-01

The vast separation dividing the characteristic times of energy confinement and turbulence in the core of toroidal plasmas makes first-principles prediction on long timescales extremely challenging. Here we report the demonstration of a multiple-timescale method that enables coupling global gyrokinetic simulations with a transport solver to calculate the evolution of the self-consistent temperature profile. This method, which exhibits resiliency to the intrinsic fluctuations arising in turbulence simulations, holds potential for integrating nonlocal gyrokinetic turbulence simulations into predictive, whole-device models.

Optimal voxel size for measuring global gray and white matter proton metabolite concentrations using chemical shift imaging

DEFF Research Database (Denmark)

Hanson, Lars Peter Grüner; Adalsteinsson, E; Pfefferbaum, A

2000-01-01

Quantification of gray and white matter levels of spectroscopically visible metabolites can provide important insights into brain development and pathological conditions. Chemical shift imaging offers a gain in efficiency for estimation of global gray and white matter metabolite concentrations co...

Fully-kinetic Ion Simulation of Global Electrostatic Turbulent Transport in C-2U

Science.gov (United States)

Fulton, Daniel; Lau, Calvin; Bao, Jian; Lin, Zhihong; Tajima, Toshiki; TAE Team

2017-10-01

Understanding the nature of particle and energy transport in field-reversed configuration (FRC) plasmas is a crucial step towards an FRC-based fusion reactor. The C-2U device at Tri Alpha Energy (TAE) achieved macroscopically stable plasmas and electron energy confinement time which scaled favorably with electron temperature. This success led to experimental and theoretical investigation of turbulence in C-2U, including gyrokinetic ion simulations with the Gyrokinetic Toroidal Code (GTC). A primary objective of TAE's new C-2W device is to explore transport scaling in an extended parameter regime. In concert with the C-2W experimental campaign, numerical efforts have also been extended in A New Code (ANC) to use fully-kinetic (FK) ions and a Vlasov-Poisson field solver. Global FK ion simulations are presented. Future code development is also discussed.

Properties of zinc selenide grown by chemical vapor transport and its application to room-temperature radiation detection

International Nuclear Information System (INIS)

Brunett, B.A.; Toney, J.E.; Schlesinger, T.E.; Yoon, H.; Goorsky, M.S.; Rudolph, P.

1998-01-01

The authors have characterized ZnSe material grown by chemical vapor transport in iodine using triple-axis X-ray diffraction (TAD), photo-induced current transient spectroscopy (PICTS), photoluminescence (PL), current-voltage measurements and gamma-ray spectroscopy. The material was found to have inadequate carrier transport for nuclear spectrometer use, but there was a discernible difference in performance between crystals which could be correlated with crystallinity as determined by the TAD rocking curves

Error estimation and global fitting in transverse-relaxation dispersion experiments to determine chemical-exchange parameters

International Nuclear Information System (INIS)

Ishima, Rieko; Torchia, Dennis A.

2005-01-01

Off-resonance effects can introduce significant systematic errors in R 2 measurements in constant-time Carr-Purcell-Meiboom-Gill (CPMG) transverse relaxation dispersion experiments. For an off-resonance chemical shift of 500 Hz, 15 N relaxation dispersion profiles obtained from experiment and computer simulation indicated a systematic error of ca. 3%. This error is three- to five-fold larger than the random error in R 2 caused by noise. Good estimates of total R 2 uncertainty are critical in order to obtain accurate estimates in optimized chemical exchange parameters and their uncertainties derived from χ 2 minimization of a target function. Here, we present a simple empirical approach that provides a good estimate of the total error (systematic + random) in 15 N R 2 values measured for the HIV protease. The advantage of this empirical error estimate is that it is applicable even when some of the factors that contribute to the off-resonance error are not known. These errors are incorporated into a χ 2 minimization protocol, in which the Carver-Richards equation is used fit the observed R 2 dispersion profiles, that yields optimized chemical exchange parameters and their confidence limits. Optimized parameters are also derived, using the same protein sample and data-fitting protocol, from 1 H R 2 measurements in which systematic errors are negligible. Although 1 H and 15 N relaxation profiles of individual residues were well fit, the optimized exchange parameters had large uncertainties (confidence limits). In contrast, when a single pair of exchange parameters (the exchange lifetime, τ ex , and the fractional population, p a ), were constrained to globally fit all R 2 profiles for residues in the dimer interface of the protein, confidence limits were less than 8% for all optimized exchange parameters. In addition, F-tests showed that quality of the fits obtained using τ ex , p a as global parameters were not improved when these parameters were free to fit the R

The Ozone Budget in the Upper Troposphere from Global Modeling Initiative (GMI)Simulations

Science.gov (United States)

Rodriquez, J.; Duncan, Bryan N.; Logan, Jennifer A.

2006-01-01

Ozone concentrations in the upper troposphere are influenced by in-situ production, long-range tropospheric transport, and influx of stratospheric ozone, as well as by photochemical removal. Since ozone is an important greenhouse gas in this region, it is particularly important to understand how it will respond to changes in anthropogenic emissions and changes in stratospheric ozone fluxes.. This response will be determined by the relative balance of the different production, loss and transport processes. Ozone concentrations calculated by models will differ depending on the adopted meteorological fields, their chemical scheme, anthropogenic emissions, and treatment of the stratospheric influx. We performed simulations using the chemical-transport model from the Global Modeling Initiative (GMI) with meteorological fields from (It)h e NASA Goddard Institute for Space Studies (GISS) general circulation model (GCM), (2) the atmospheric GCM from NASA's Global Modeling and Assimilation Office(GMAO), and (3) assimilated winds from GMAO . These simulations adopt the same chemical mechanism and emissions, and adopt the Synthetic Ozone (SYNOZ) approach for treating the influx of stratospheric ozone -. In addition, we also performed simulations for a coupled troposphere-stratosphere model with a subset of the same winds. Simulations were done for both 4degx5deg and 2degx2.5deg resolution. Model results are being tested through comparison with a suite of atmospheric observations. In this presentation, we diagnose the ozone budget in the upper troposphere utilizing the suite of GMI simulations, to address the sensitivity of this budget to: a) the different meteorological fields used; b) the adoption of the SYNOZ boundary condition versus inclusion of a full stratosphere; c) model horizontal resolution. Model results are compared to observations to determine biases in particular simulations; by examining these comparisons in conjunction with the derived budgets, we may pinpoint

Mass transport measurements and modeling for chemical vapor infiltration

Energy Technology Data Exchange (ETDEWEB)

Starr, T.L.; Chiang, D.Y.; Fiadzo, O.G.; Hablutzel, N. [Georgia Inst. of Tech., Atlanta, GA (United States). School of Materials Science and Engineering

1997-12-01

This project involves experimental and modeling investigation of densification behavior and mass transport in fiber preforms and partially densified composites, and application of these results to chemical vapor infiltration (CVI) process modeling. This supports work on-going at ORNL in process development for fabrication of ceramic matrix composite (CMC) tubes. Tube-shaped composite preforms are fabricated at ORNL with Nextel{trademark} 312 fiber (3M Corporation, St. Paul, MN) by placing and compressing several layers of braided sleeve on a tubular mandrel. In terms of fiber architecture these preforms are significantly different than those made previously with Nicalon{trademark} fiber (Nippon Carbon Corp., Tokyo, Japan) square weave cloth. The authors have made microstructure and permeability measurements on several of these preforms and a few partially densified composites so as to better understand their densification behavior during CVI.

A multimedia fate and chemical transport modeling system for pesticides: I. Model development and implementation

International Nuclear Information System (INIS)

Li Rong; Yang Fuquan; Sloan, James J; Scholtz, M Trevor

2011-01-01

We have combined the US EPA MM5/MCIP/SMOKE/CMAQ modeling system with a dynamic soil model, the pesticide emission model (PEM), to create a multimedia chemical transport model capable of describing the important physical and chemical processes involving pesticides in the soil, in the atmosphere, and on the surface of vegetation. These processes include: agricultural practices (e.g. soil tilling and pesticide application mode); advection and diffusion of pesticides, moisture, and heat in the soil; partitioning of pesticides between soil organic carbon and interstitial water and air; emissions from the soil to the atmosphere; gas-particle partitioning and transport in the atmosphere; and atmospheric chemistry and dry and wet deposition of pesticides to terrestrial and water surfaces. The modeling system was tested by simulating toxaphene in a domain that covers most of North America for the period from 1 January 2000 to 31 December 2000. The results show obvious transport of the pesticide from the heavily contaminated soils in the southern United States and Mexico to water bodies including the Atlantic Ocean, the Gulf of Mexico and the Great Lakes, leading to significant dry and wet deposition into these ecosystems. The spatial distributions of dry and wet depositions differ because of their different physical mechanisms; the former follows the distribution of air concentrations whereas the latter is more biased to the North East due to the effect of precipitation.

A multimedia fate and chemical transport modeling system for pesticides: I. Model development and implementation

Energy Technology Data Exchange (ETDEWEB)

Li Rong; Yang Fuquan; Sloan, James J [Department of Earth and Environmental Sciences, University of Waterloo, Waterloo, ON N2L 3G1 (Canada); Scholtz, M Trevor, E-mail: sloanj@connect.uwaterloo.ca [ORTECH Environmental, 2395 Speakman Drive, Mississauga, ON L5K 1B3 (Canada)

2011-07-15

We have combined the US EPA MM5/MCIP/SMOKE/CMAQ modeling system with a dynamic soil model, the pesticide emission model (PEM), to create a multimedia chemical transport model capable of describing the important physical and chemical processes involving pesticides in the soil, in the atmosphere, and on the surface of vegetation. These processes include: agricultural practices (e.g. soil tilling and pesticide application mode); advection and diffusion of pesticides, moisture, and heat in the soil; partitioning of pesticides between soil organic carbon and interstitial water and air; emissions from the soil to the atmosphere; gas-particle partitioning and transport in the atmosphere; and atmospheric chemistry and dry and wet deposition of pesticides to terrestrial and water surfaces. The modeling system was tested by simulating toxaphene in a domain that covers most of North America for the period from 1 January 2000 to 31 December 2000. The results show obvious transport of the pesticide from the heavily contaminated soils in the southern United States and Mexico to water bodies including the Atlantic Ocean, the Gulf of Mexico and the Great Lakes, leading to significant dry and wet deposition into these ecosystems. The spatial distributions of dry and wet depositions differ because of their different physical mechanisms; the former follows the distribution of air concentrations whereas the latter is more biased to the North East due to the effect of precipitation.

A multimedia fate and chemical transport modeling system for pesticides: I. Model development and implementation

Science.gov (United States)

Li, Rong; Scholtz, M. Trevor; Yang, Fuquan; Sloan, James J.

2011-07-01

We have combined the US EPA MM5/MCIP/SMOKE/CMAQ modeling system with a dynamic soil model, the pesticide emission model (PEM), to create a multimedia chemical transport model capable of describing the important physical and chemical processes involving pesticides in the soil, in the atmosphere, and on the surface of vegetation. These processes include: agricultural practices (e.g. soil tilling and pesticide application mode); advection and diffusion of pesticides, moisture, and heat in the soil; partitioning of pesticides between soil organic carbon and interstitial water and air; emissions from the soil to the atmosphere; gas-particle partitioning and transport in the atmosphere; and atmospheric chemistry and dry and wet deposition of pesticides to terrestrial and water surfaces. The modeling system was tested by simulating toxaphene in a domain that covers most of North America for the period from 1 January 2000 to 31 December 2000. The results show obvious transport of the pesticide from the heavily contaminated soils in the southern United States and Mexico to water bodies including the Atlantic Ocean, the Gulf of Mexico and the Great Lakes, leading to significant dry and wet deposition into these ecosystems. The spatial distributions of dry and wet depositions differ because of their different physical mechanisms; the former follows the distribution of air concentrations whereas the latter is more biased to the North East due to the effect of precipitation.

Mineral-leaching chemical transport with runoff and sediment from severely eroded rare-earth tailings in southern China

Directory of Open Access Journals (Sweden)

H. Lu

2017-08-01

Full Text Available Rare-earth mining has led to severe soil erosion in southern China. Furthermore, the presence of the mineral-leaching chemical ammonium sulfate in runoff and sediment poses a serious environmental threat to downstream water bodies. In this paper, the characteristics of mineral-leaching chemicals in surface soil samples collected in the field were studied. In addition, NH4+ and SO42− transport via soil erosion was monitored using runoff and sediment samples collected during natural rainfall processes. The results demonstrated that the NH4+ contents in the surface sediment deposits increased from the top of the heap (6.56 mg kg−1 to the gully (8.23 mg kg−1 and outside the tailing heap (13.03 mg kg−1. The contents of SO42− in the different locations of the tailing heaps ranged from 27.71 to 40.33 mg kg−1. During typical rainfall events, the absorbed NH4+ concentrations (2.05, 1.26 mg L−1 in runoff were significantly higher than the dissolved concentrations (0.93, 1.04 mg L−1, while the absorbed SO42− concentrations (2.87, 1.92 mg L−1 were significantly lower than the dissolved concentrations (6.55, 7.51 mg L−1. The dissolved NH4+ and SO42− concentrations in runoff displayed an exponentially decreasing tendency with increasing transport distance (Y = 1. 02 ⋅ exp( − 0. 00312X; Y = 3. 34 ⋅ exp( − 0. 0185X. No clear trend with increasing distance was observed for the absorbed NH4+ and SO42− contents in transported sediment. The NH4+ and SO42− contents had positive correlations with the silt and clay ratio in transported sediment but negative correlations with the sand ratio. These results provide a better understanding of the transport processes and can be used to develop equations to predict the transport of mineral-leaching chemicals in rare-earth tailings, which can provide a scientific foundation for erosion control and soil management in rare

GNAQPMS v1.1: accelerating the Global Nested Air Quality Prediction Modeling System (GNAQPMS) on Intel Xeon Phi processors

OpenAIRE

H. Wang; H. Wang; H. Wang; H. Wang; H. Chen; H. Chen; Q. Wu; Q. Wu; J. Lin; X. Chen; X. Xie; R. Wang; R. Wang; X. Tang; Z. Wang

2017-01-01

The Global Nested Air Quality Prediction Modeling System (GNAQPMS) is the global version of the Nested Air Quality Prediction Modeling System (NAQPMS), which is a multi-scale chemical transport model used for air quality forecast and atmospheric environmental research. In this study, we present the porting and optimisation of GNAQPMS on a second-generation Intel Xeon Phi processor, codenamed Knights Landing (KNL). Compared with the first-generation Xeon Phi coprocessor (code...

Nuclear and Chemical Weapons and Materiel: Chemical Surety

National Research Council Canada - National Science Library

2001-01-01

.... It has been revised to update responsibilities, Personnel Reliability Program (PRP) procedures, transportation policies, chemical event notification, chemical accident or incident response and assistance (CAIRA...

Electron transport characteristics of silicon nanowires by metal-assisted chemical etching

Directory of Open Access Journals (Sweden)

Yangyang Qi

2014-02-01

Full Text Available The electron transport characteristics of silicon nanowires (SiNWs fabricated by metal-assisted chemical etching with different doping concentrations were studied. By increasing the doping concentration of the starting Si wafer, the resulting SiNWs were prone to have a rough surface, which had important effects on the contact and the electron transport. A metal-semiconductor-metal model and a thermionic field emission theory were used to analyse the current-voltage (I-V characteristics. Asymmetric, rectifying and symmetric I-V curves were obtained. The diversity of the I-V curves originated from the different barrier heights at the two sides of the SiNWs. For heavily doped SiNWs, the critical voltage was one order of magnitude larger than that of the lightly doped, and the resistance obtained by differentiating the I-V curves at large bias was also higher. These were attributed to the lower electron tunnelling possibility and higher contact barrier, due to the rough surface and the reduced doping concentration during the etching process.

Single gold nanoparticle plasmonic spectroscopy for study of chemical-dependent efflux function of single ABC transporters of single live Bacillus subtilis cells.

Science.gov (United States)

Browning, Lauren M; Lee, Kerry J; Cherukuri, Pavan K; Huang, Tao; Songkiatisak, Preeyaporn; Warren, Seth; Xu, Xiao-Hong Nancy

2018-03-26

ATP-binding cassette (ABC) membrane transporters serve as self-defense transport apparatus in many living organisms and they can selectively extrude a wide variety of substrates, leading to multidrug resistance (MDR). The detailed molecular mechanisms remain elusive. Single nanoparticle plasmonic spectroscopy highly depends upon their sizes, shapes, chemical and surface properties. In our previous studies, we have used the size-dependent plasmonic spectra of single silver nanoparticles (Ag NPs) to study the real-time efflux kinetics of the ABC (BmrA) transporter and MexAB-OprM transporter in single live cells (Gram-positive and Gram-negative bacterium), respectively. In this study, we prepared and used purified, biocompatible and stable (non-aggregated) gold nanoparticles (Au NPs) (12.4 ± 0.9 nm) to study the efflux kinetics of single BmrA membrane transporters of single live Bacillus subtillis cells, aiming to probe chemical dependent efflux functions of BmrA transporters and their potential chemical sensing capability. Similar to those observed using Ag NPs, accumulation of the intracellular Au NPs in single live cells (WT and ΔBmrA) highly depends upon the cellular expression of BmrA and the NP concentration (0.7 and 1.4 nM). The lower accumulation of intracellular Au NPs in WT (normal expression of BmrA) than ΔBmrA (deletion of bmrA) indicates that BmrA extrudes the Au NPs out of the WT cells. The accumulation of Au NPs in the cells increases with NP concentration, suggesting that the Au NPs most likely passively diffuse into the cells, similar to antibiotics. The result demonstrates that such small Au NPs can serve as imaging probes to study the efflux function of the BmrA membrane transporter in single live cells. Furthermore, the dependence of the accumulation rate of intracellular Au NPs in single live cells upon the expression of BmrA and the concentration of the NPs is about twice higher than that of the same sized Ag NPs. This interesting finding

Impact of inter-sectoral trade on national and global CO2 emissions: An empirical analysis of China and US

International Nuclear Information System (INIS)

Guo Jie; Zou Lele; Wei Yiming

2010-01-01

This paper attempts to discuss the CO 2 emissions embodied in Sino-US international trade using a sector approach. Based on an input-output model established in this study, we quantify the impact of Sino-US international trade on national and global CO 2 emissions. Our initial findings reveal that: In 2005, the US reduced 190.13 Mt CO 2 emissions through the consumption of imported goods from China, while increasing global CO 2 emissions by about 515.25 Mt. Similarly, China reduced 178.62 Mt CO 2 emissions through the consumption of US goods, while reducing global CO 2 emissions by 129.93 Mt. Sino-US international trade increased global CO 2 emissions by 385.32 Mt as a whole, of which the Chemical, Fabricated Metal Products, Non-metallic Mineral Products and Transportation Equipment sectors contributed an 86.71% share. Therefore, we suggest that accelerating the adjustment of China's trade structure and export of US advanced technologies and experience related to clean production and energy efficiency to China as the way to reduce the negative impact of Sino-US trade on national and global CO 2 emissions. This behavior should take into account the processing and manufacturing industries as a priority, especially the Chemical, Fabricated Metal Products, Non-metallic Mineral Products and Transportation Equipment sectors.

GLOBAL RANDOM WALK SIMULATIONS FOR SENSITIVITY AND UNCERTAINTY ANALYSIS OF PASSIVE TRANSPORT MODELS

Directory of Open Access Journals (Sweden)

Nicolae Suciu

2011-07-01

Full Text Available The Global Random Walk algorithm (GRW performs a simultaneoustracking on a fixed grid of huge numbers of particles at costscomparable to those of a single-trajectory simulation by the traditional Particle Tracking (PT approach. Statistical ensembles of GRW simulations of a typical advection-dispersion process in groundwater systems with randomly distributed spatial parameters are used to obtain reliable estimations of the input parameters for the upscaled transport model and of their correlations, input-output correlations, as well as full probability distributions of the input and output parameters.

Roles of transport and chemistry processes in global ozone change on interannual and multidecadal time scales

Science.gov (United States)

Sekiya, T.; Sudo, K.

2014-04-01

This study investigates ozone changes and the individual impacts of transport and chemistry on those changes. We specifically examine (1) variation related to El Niño Southern Oscillation, which is a dominant mode of interannual variation of tropospheric ozone, and (2) long-term change between the 2000s and 2100s. During El Niño, the simulated ozone shows an increase (1 ppbv/K) over Indonesia, a decrease (2-10 ppbv/K) over the eastern Pacific in the tropical troposphere, and an increase (50 ppbv/K) over the eastern Pacific in the midlatitude lower stratosphere. These variations fundamentally agree with those observed by Microwave Limb Sounder/Tropospheric Emission Spectrometer instruments. The model demonstrates that tropospheric chemistry has a strong impact on the variation over the eastern Pacific in the tropical lower troposphere and that transport dominates the variation in the midlatitude lower stratosphere. Between the 2000s and 2100s, the model predicts an increase in the global burden of stratospheric ozone (0.24%/decade) and a decrease in the global burden of tropospheric ozone (0.82%/decade). The increase in the stratospheric burden is controlled by stratospheric chemistry. Tropospheric chemistry reduces the tropospheric burden by 1.07%/decade. However, transport (i.e., stratosphere-troposphere exchange and tropospheric circulation) causes an increase in the burden (0.25%/decade). Additionally, we test the sensitivity of ozone changes to increased horizontal resolution of the representation of atmospheric circulation and advection apart from any aspects of the nonlinearity of chemistry sensitivity to horizontal resolution. No marked difference is found in medium-resolution or high-resolution simulations, suggesting that the increased horizontal resolution of transport has a minor impact.

Enhancement of marine cloud albedo via controlled sea spray injections: a global model study of the influence of emission rates, microphysics and transport

Directory of Open Access Journals (Sweden)

H. Korhonen

2010-05-01

Full Text Available Modification of cloud albedo by controlled emission of sea spray particles into the atmosphere has been suggested as a possible geoengineering option to slow global warming. Previous global studies have imposed changes in cloud drop concentration in low level clouds to explore the radiative and climatic effects. Here, we use a global aerosol transport model to quantify how an imposed flux of sea spray particles affects the natural aerosol processes, the particle size distribution, and concentrations of cloud drops. We assume that the proposed fleet of vessels emits sea spray particles with a wind speed-dependent flux into four regions of persistent stratocumulus cloud off the western coasts of continents. The model results show that fractional changes in cloud drop number concentration (CDNC vary substantially between the four regions because of differences in wind speed (which affects the spray efficiency of the vessels, transport and particle deposition rates, and because of variations in aerosols from natural and anthropogenic sources. Using spray emission rates comparable to those implied by previous studies we find that the predicted CDNC changes are very small (maximum 20% and in one of the four regions even negative. The weak or negative effect is because the added particles suppress the in-cloud supersaturation and prevent existing aerosol particles from forming cloud drops. A scenario with five times higher emissions (considerably higher than previously assumed increases CDNC on average by 45–163%, but median concentrations are still below the 375 cm⁻³ assumed in previous studies. An inadvertent effect of the spray emissions is that sulphur dioxide concentrations are suppressed by 1–2% in the seeded regions and sulphuric acid vapour by 64–68% due to chemical reactions on the additional salt particles. The impact of this suppression on existing aerosol is negligible in the model, but should be investigated further in

Time-dependent inversion estimates of global biomass-burning CO emissions using Measurement of Pollution in the Troposphere (MOPITT) measurements

NARCIS (Netherlands)

Arellano, A.F.; Kasibhatla, P.S.; Giglio, L.; van der Werf, G.R.; Randerson, J.T; Collatz, G.J.

2006-01-01

We present an inverse-modeling analysis of CO emissions using column CO retrievals from the Measurement of Pollution in the Troposphere (MOPITT) instrument and a global chemical transport model (GEOS-CHEM). We first focus on the information content of MOPITT CO column retrievals in terms of

Morphological, Chemical Surface, and Diffusive Transport Characterizations of a Nanoporous Alumina Membrane

Directory of Open Access Journals (Sweden)

María I. Vázquez

2015-12-01

Full Text Available Synthesis of a nanoporous alumina membrane (NPAM by the two-step anodization method and its morphological and chemical surface characterization by analyzing Scanning Electron Microscopy (SEM micrographs and X-Ray Photoelectron Spectroscopy (XPS spectra is reported. Influence of electrical and diffusive effects on the NaCl transport across the membrane nanopores is determined from salt diffusion measurements performed with a wide range of NaCl concentrations, which allows the estimation of characteristic electrochemical membrane parameters such as the NaCl diffusion coefficient and the concentration of fixed charges in the membrane, by using an appropriated model and the membrane geometrical parameters (porosity and pore length. These results indicate a reduction of ~70% in the value of the NaCl diffusion coefficient through the membrane pores with respect to solution. The transport number of ions in the membrane pores (Na+ and Cl−, respectively were determined from concentration potential measurements, and the effect of concentration-polarization at the membrane surfaces was also considered by comparing concentration potential values obtained with stirred solutions (550 rpm and without stirring. From both kinds of results, a value higher than 0.05 M NaCl for the feed solution seems to be necessary to neglect the contribution of electrical interactions in the diffusive transport.

Interaction of Physical and Chemical Processes Controlling the Environmental Fate and Transport of Lampricides Through Stream-Hyporheic Systems

Science.gov (United States)

Hixson, J.; Ward, A. S.; Schmadel, N.; McConville, M.; Remucal, C.

2016-12-01

The transport and fate of contaminants of emerging concern through the environment is complicated by the heterogeneity of natural systems and the unique reaction pathways of individual compounds. Our current evaluation of risk is often simplified to controls assumed to be homogeneous in space and time. However, we know spatial heterogeneity and time-variable reaction rates complicate predictions of environmental transport and fate, and therefore risk. These complications are the result of the interactions between the physical and chemical systems and the time-variable equilibrium that exists between the two. Compounds that interact with both systems, such as photolytic compounds, require that both components are fully understood in order to predict transport and fate. Release of photolytic compounds occurs through both unintentional releases and intentional loadings. Evaluating risks associated with unintentional releases and implementing best management practices for intentional releases requires an in-depth understanding of the sensitivity of photolytic compounds to external controls. Lampricides, such as 3-trifluoromethyl-4-nitrophenol (TFM), are broadly applied in the Great Lakes system to control the population of invasive sea lamprey. Over-dosing can yield fish kills and other detrimental impacts. Still, planning accounts for time of passage and dilution, but not the interaction of the physical and chemical systems (i.e., storage in the hyporheic zone and time-variable decay rates). In this study, we model a series of TFM applications to test the efficacy of dosing as a function of system characteristics. Overall, our results demonstrate the complexity associated with photo-sensitive compounds through stream-hyporheic systems, and highlight the need to better understand how physical and chemical systems interact to control transport and fate in the environment.

Municipal solid waste conversion to transportation fuels: a life-cycle estimation of global warming potential and energy consumption

DEFF Research Database (Denmark)

Pressley, Phillip N.; Aziz, Tarek N.; DeCarolis, Joseph F.

2014-01-01

This paper utilizes life cycle assessment (LCA) methodology to evaluate the conversion of U.S. municipal solid waste (MSW) to liquid transportation fuels via gasification and Fischer-Tropsch (FT). The model estimates the cumulative energy demand and global warming potential (GWP) associated...

A cloud-scale chemical-transport simulation during EULINOX. A case study for July 21 1998.

Science.gov (United States)

Ramaroson, R.

2002-12-01

The main issues addressed by the European project EULINOX covered mainly the quantification of NOx production from lightning, the transport of NOx and surface emissions (e.g. CO) by convective systems, and the lightning distribution around thunderstorms. O3, CO, CO2, NOx, CN concentrations, J(NO2), meteorological variables and lightning have been observed and measured using ground systems and aircraft platforms during the project. Two aircraft have been operated: the DLR Falcon and the Do-228 providing the distribution of species in the PBL and at higher altitudes across the anvil along the jet tracks. July 21st 1998 was a special day during EULINOX : strong convection system, high electrical activities and a NO pic around 23 ppbv on board Falcon in the anvil. Thunderstorms associated with strong convective systems were encountered and well covered by the network of measurement systems as well as for the meteorology than for the chemistry and lightning localization. This work focuses on two objectives: how to describe the meteorology during EULINOX and to quantify the impact of the cloud scales on tropospheric NO and CO concentration. To reach this target, 2 types of simulation have been performed. The fist one uses the MM5 model in a 4 domain-nested version (ratio =3) to simulate the convective cloud system or isolated cell with a 1.5km by 1.5km resolution for the finest grid. The second run uses an off-line chemical transport model (MEDIUM) with a detailed chemistry assimilating in input the MM5 dynamics. On a broader scale, the general synoptic meteorology over Europe is well simulated by MM5. Over the finest domain, the model was able to generate a supercell storm but rather weak (vertical characteristics) and unstable compared to the observations. The cell depth is in a good agreement with observations with a horizontal position lightly shifted spatially. The chemical-transport simulation using MEDIUM including as input the MM5 meteorology output shows a

Global and Regional Impacts of HONO on the Chemical Composition of Clouds and Aerosols

Science.gov (United States)

Elshorbany, Y. F.; Crutzen, P. J.; Steil, B.; Pozzer, A.; Tost, H.; Lelieveld, J.

2014-01-01

Recently, realistic simulation of nitrous acid (HONO) based on the HONO / NOx ratio of 0.02 was found to have a significant impact on the global budgets of HOx (OH + HO2) and gas phase oxidation products in polluted regions, especially in winter when other photolytic sources are of minor importance. It has been reported that chemistry-transport models underestimate sulphate concentrations, mostly during winter. Here we show that simulating realistic HONO levels can significantly enhance aerosol sulphate (S(VI)) due to the increased formation of H2SO4. Even though in-cloud aqueous phase oxidation of dissolved SO2 (S(IV)) is the main source of S(VI), it appears that HONO related enhancement of H2O2 does not significantly affect sulphate because of the predominantly S(IV) limited conditions, except over eastern Asia. Nitrate is also increased via enhanced gaseous HNO3 formation and N2O5 hydrolysis on aerosol particles. Ammonium nitrate is enhanced in ammonia-rich regions but not under ammonia-limited conditions. Furthermore, particle number concentrations are also higher, accompanied by the transfer from hydrophobic to hydrophilic aerosol modes. This implies a significant impact on the particle lifetime and cloud nucleating properties. The HONO induced enhancements of all species studied are relatively strong in winter though negligible in summer. Simulating realistic HONO levels is found to improve the model measurement agreement of sulphate aerosols, most apparent over the US. Our results underscore the importance of HONO for the atmospheric oxidizing capacity and corroborate the central role of cloud chemical processing in S(IV) formation

Algal biomass as a global source of transport fuels: Overview and development perspectives

Directory of Open Access Journals (Sweden)

Kifayat Ullah

2014-08-01

Full Text Available As a result of the global fuel crisis of the early 1970s, coupled with concerns for the environment, the use of biofuel has been on the increase in many regions throughout the world. At present, a total of approximately 30 billion (30×109 liters of biofuel are utilized worldwide annually, although most countries rely hugely on the first generation biofuel. The limitations of the first and second generation biofuel gave rise to current interest in algae as a promising alternative to these conventional biofuel sources. Algal biomass could provide a lion׳s share of the global transport fuel requirements in future. The present review highlights some important developments in, and potentials of algaculture as a major biomass resource of the future. However, the major constraint to commercial-scale algae farming for energy production is the cost factor, which must be addressed adequately before its potentials can be harnessed.

GNAQPMS-Hg v1.0, a global nested atmospheric mercury transport model: model description, evaluation and application to trans-boundary transport of Chinese anthropogenic emissions

Science.gov (United States)

Chen, H. S.; Wang, Z. F.; Li, J.; Tang, X.; Ge, B. Z.; Wu, X. L.; Wild, O.; Carmichael, G. R.

2015-09-01

Atmospheric mercury (Hg) is a toxic pollutant and can be transported over the whole globe due to its long lifetime in the atmosphere. For the purpose of assessing Hg hemispheric transport and better characterizing regional Hg pollution, a global nested atmospheric Hg transport model (GNAQPMS-Hg - Global Nested Air Quality Prediction Modeling System for Hg) has been developed. In GNAQPMS-Hg, the gas- and aqueous-phase Hg chemistry representing the transformation among three forms of Hg: elemental mercury (Hg(0)), divalent mercury (Hg(II)), and primary particulate mercury (Hg(P)) are calculated. A detailed description of the model, including mercury emissions, gas- and aqueous-phase chemistry, and dry and wet deposition is given in this study. Worldwide observations including extensive data in China have been collected for model evaluation. Comparison results show that the model reasonably simulates the global mercury budget and the spatiotemporal variation of surface mercury concentrations and deposition. Overall, model predictions of annual total gaseous mercury (TGM) and wet deposition agree with observations within a factor of 2, and within a factor of 5 for oxidized mercury and dry deposition. The model performs significantly better in North America and Europe than in East Asia. This can probably be attributed to the large uncertainties in emission inventories, coarse model resolution and to the inconsistency between the simulation and observation periods in East Asia. Compared to the global simulation, the nested simulation shows improved skill at capturing the high spatial variability of surface Hg concentrations and deposition over East Asia. In particular, the root mean square error (RMSE) of simulated Hg wet deposition over East Asia is reduced by 24 % in the nested simulation. Model sensitivity studies indicate that Chinese primary anthropogenic emissions account for 30 and 62 % of surface mercury concentrations and deposition over China, respectively

Transport in Halobacterium Halobium: Light-Induced Cation-Gradients, Amino Acid Transport Kinetics, and Properties of Transport Carriers

Science.gov (United States)

Lanyi, Janos K.

1977-01-01

Cell envelope vesicles prepared from H. halobium contain bacteriorhodopsin and upon illumination protons are ejected. Coupled to the proton motive force is the efflux of Na(+). Measurements of Na-22 flux, exterior pH change, and membrane potential, Delta(psi) (with the dye 3,3'-dipentyloxadicarbocyanine) indicate that the means of Na(+) transport is sodium/proton exchange. The kinetics of the pH changes and other evidence suggests that the antiport is electrogenic (H(+)/Na(++ greater than 1). The resulting large chemical gradient for Na(+) (outside much greater than inside), as well as the membrane potential, will drive the transport of 18 amino acids. The I9th, glutamate, is unique in that its accumulation is indifferent to Delta(psi): this amino acid is transported only when a chemical gradient for Na(+) is present. Thus, when more and more NaCl is included in the vesicles glutamate transport proceeds with longer and longer lags. After illumination the gradient of H+() collapses within 1 min, while the large Na(+) gradient and glutamate transporting activity persists for 10- 15 min, indicating that proton motive force is not necessary for transport. A chemical gradient of Na(+), arranged by suspending vesicles loaded with KCl in NaCl, drives glutamate transport in the dark without other sources of energy, with V(sub max) and K(sub m) comparable to light-induced transport. These and other lines of evidence suggest that the transport of glutamate is facilitated by symport with Na(+), in an electrically neutral fashion, so that only the chemical component of the Na(+) gradient is a driving force.

Global Sources and Pathways of Mercury in the Context of Human Health

Directory of Open Access Journals (Sweden)

Kyrre Sundseth

2017-01-01

Full Text Available This paper reviews information from the existing literature and the EU GMOS (Global Mercury Observation System project to assess the current scientific knowledge on global mercury releases into the atmosphere, on global atmospheric transport and deposition, and on the linkage between environmental contamination and potential impacts on human health. The review concludes that assessment of global sources and pathways of mercury in the context of human health is important for being able to monitor the effects from implementation of the Minamata Convention targets, although new research is needed on the improvement of emission inventory data, the chemical and physical behaviour of mercury in the atmosphere, the improvement of monitoring network data, predictions of future emissions and speciation, and on the subsequent effects on the environment, human health, as well as the economic costs and benefits of reducing these aspects.

Production of lightning NOx and its vertical distribution calculated from three-dimensional cloud-scale chemical transport model simulations

KAUST Repository

Ott, Lesley E.; Pickering, Kenneth E.; Stenchikov, Georgiy L.; Allen, Dale J.; DeCaria, Alex J.; Ridley, Brian; Lin, Ruei-Fong; Lang, Stephen; Tao, Wei-Kuo

2010-01-01

A three-dimensional (3-D) cloud-scale chemical transport model that includes a parameterized source of lightning NOx on the basis of observed flash rates has been used to simulate six midlatitude and subtropical thunderstorms observed during four

Transport and Chemical Evolution over the Pacific (TRACE-P) aircraft mission: Design, execution, and first results

Science.gov (United States)

Jacob, Daniel J.; Crawford, James H.; Kleb, Mary M.; Connors, Vickie S.; Bendura, Richard J.; Raper, James L.; Sachse, Glen W.; Gille, John C.; Emmons, Louisa; Heald, Colette L.

2003-10-01

The NASA Transport and Chemical Evolution over the Pacific (TRACE-P) aircraft mission was conducted in February-April 2001 over the NW Pacific (1) to characterize the Asian chemical outflow and relate it quantitatively to its sources and (2) to determine its chemical evolution. It used two aircraft, a DC-8 and a P-3B, operating out of Hong Kong and Yokota Air Force Base (near Tokyo), with secondary sites in Hawaii, Wake Island, Guam, Okinawa, and Midway. The aircraft carried instrumentation for measurements of long-lived greenhouse gases, ozone and its precursors, aerosols and their precursors, related species, and chemical tracers. Five chemical transport models (CTMs) were used for chemical forecasting. Customized bottom-up emission inventories for East Asia were generated prior to the mission to support chemical forecasting and to serve as a priori for evaluation with the aircraft data. Validation flights were conducted for the Measurements Of Pollution In The Troposphere (MOPITT) satellite instrument and revealed little bias (6 ± 2%) in the MOPITT measurements of CO columns. A major event of transpacific Asian pollution was characterized through combined analysis of TRACE-P and MOPITT data. The TRACE-P observations showed that cold fronts sweeping across East Asia and the associated warm conveyor belts (WCBs) are the dominant pathway for Asian outflow to the Pacific in spring. The WCBs lift both anthropogenic and biomass burning (SE Asia) effluents to the free troposphere, resulting in complex chemical signatures. The TRACE-P data are in general consistent with a priori emission inventories, lending confidence in our ability to quantify Asian emissions from socioeconomic data and emission factors. However, the residential combustion source in rural China was found to be much larger than the a priori, and there were also unexplained chemical enhancements (HCN, CH3Cl, OCS, alkylnitrates) in Chinese urban plumes. The Asian source of CCl4 was found to be much

DNA Charge Transport: From Chemical Principles to the Cell

Science.gov (United States)

Arnold, Anna R.; Grodick, Michael A.; Barton, Jacqueline K.

2016-01-01

The DNA double helix has captured the imagination of many, bringing it to the forefront of biological research. DNA has unique features that extend our interest into areas of chemistry, physics, material science and engineering. Our laboratory has focused on studies of DNA charge transport (CT), wherein charges can efficiently travel long molecular distances through the DNA helix while maintaining an exquisite sensitivity to base pair π-stacking. Because DNA CT chemistry reports on the integrity of the DNA duplex, this property may be exploited to develop electrochemical devices to detect DNA lesions and DNA-binding proteins. Furthermore, studies now indicate that DNA CT may also be used in the cell by, for example, DNA repair proteins, as a cellular diagnostic, in order to scan the genome to localize efficiently to damage sites. In this review, we describe this evolution of DNA CT chemistry from the discovery of fundamental chemical principles to applications in diagnostic strategies and possible roles in biology. PMID:26933744

In-cloud oxalate formation in the global troposphere: a 3-D modeling study

Directory of Open Access Journals (Sweden)

S. Myriokefalitakis

2011-06-01

Full Text Available Organic acids attract increasing attention as contributors to atmospheric acidity, secondary organic aerosol mass and aerosol hygroscopicity. Oxalic acid is globally the most abundant dicarboxylic acid, formed via chemical oxidation of gas-phase precursors in the aqueous phase of aerosols and droplets. Its lifecycle and atmospheric global distribution remain highly uncertain and are the focus of this study. The first global spatial and temporal distribution of oxalate, simulated using a state-of-the-art aqueous-phase chemical scheme embedded within the global 3-dimensional chemistry/transport model TM4-ECPL, is here presented. The model accounts for comprehensive gas-phase chemistry and its coupling with major aerosol constituents (including secondary organic aerosol. Model results are consistent with ambient observations of oxalate at rural and remote locations (slope = 1.16 ± 0.14, r² = 0.36, N = 114 and suggest that aqueous-phase chemistry contributes significantly to the global atmospheric burden of secondary organic aerosol. In TM4-ECPL most oxalate is formed in-cloud and less than 5 % is produced in aerosol water. About 62 % of the oxalate is removed via wet deposition, 30 % by in-cloud reaction with hydroxyl radical, 4 % by in-cloud reaction with nitrate radical and 4 % by dry deposition. The in-cloud global oxalate net chemical production is calculated to be about 21–37 Tg yr⁻¹ with almost 79 % originating from biogenic hydrocarbons, mainly isoprene. This condensed phase net source of oxalate in conjunction with a global mean turnover time against deposition of about 5 days, maintain oxalate's global tropospheric burden of 0.2–0.3 Tg, i.e. 0.05–0.1 Tg-C that is about 5–9 % of model-calculated water soluble organic carbon burden.

Chemical Risk Assessment Screening Tool of a Global Chemical Company

OpenAIRE

Evelyn Tjoe-Nij; Christophe Rochin; Nathalie Berne; Alessandro Sassi; Antoine Leplay

2018-01-01

Background: This paper describes a simple-to-use and reliable screening tool called Critical Task Exposure Screening (CTES), developed by a chemical company. The tool assesses if the exposure to a chemical for a task is likely to be within acceptable levels. Methods: CTES is a Microsoft Excel tool, where the inhalation risk score is calculated by relating the exposure estimate to the corresponding occupational exposure limit (OEL) or occupational exposure band (OEB). The inhalation exposure i...

A global gas flaring black carbon emission rate dataset from 1994 to 2012

Science.gov (United States)

Huang, Kan; Fu, Joshua S.

2016-11-01

Global flaring of associated petroleum gas is a potential emission source of particulate matters (PM) and could be notable in some specific regions that are in urgent need of mitigation. PM emitted from gas flaring is mainly in the form of black carbon (BC), which is a strong short-lived climate forcer. However, BC from gas flaring has been neglected in most global/regional emission inventories and is rarely considered in climate modeling. Here we present a global gas flaring BC emission rate dataset for the period 1994-2012 in a machine-readable format. We develop a region-dependent gas flaring BC emission factor database based on the chemical compositions of associated petroleum gas at various oil fields. Gas flaring BC emission rates are estimated using this emission factor database and flaring volumes retrieved from satellite imagery. Evaluation using a chemical transport model suggests that consideration of gas flaring emissions can improve model performance. This dataset will benefit and inform a broad range of research topics, e.g., carbon budget, air quality/climate modeling, and environmental/human exposure.

The study of thermodynamic properties and transport properties of multicomponent systems with chemical reactions

Directory of Open Access Journals (Sweden)

Samujlov E.

2013-04-01

Full Text Available In case of system with chemical reaction the most important properties are heat conductivity and heat capacity. In this work we have considered the equation for estimate the component of these properties caused by chemical reaction and ionization processes. We have evaluated the contribution of this part in heat conductivity and heat capacity too. At the high temperatures contribution in heat conductivity from ionization begins to play an important role. We have created a model, which describe partial and full ionization of gases and gas mixtures. In addition, in this work we present the comparison of our result with experimental data and data from numerical simulation. We was used the data about transport properties of middle composition of Russian coals and the data of thermophysical properties of natural gas for comparison.

Towards the use of dynamic growing seasons in a chemical transport model

Science.gov (United States)

Sakalli, A.; Simpson, D.

2012-12-01

Chemical transport models (CTMs), used for the prediction of, for example, nitrogen deposition or air quality changes, require estimates of the growing season of plants for a number of reasons. Typically, the growing seasons are defined in a very simplified way in CTMs, using fixed dates or simple functions. In order to explore the importance of more realistic growing season estimates, we have developed a new and simple method (the T5 method) for calculating the start of the growing season (SGS) of birch (which we use as a surrogate for deciduous trees), suitable for use in CTMs and other modelling systems. We developed the T5 method from observations, and here we compare with these and other methodologies, and show that with just two parameters T5 captures well the spatial variation in SGS across Europe. We use the EMEP MSC-W chemical transport model to illustrate the importance of improved SGS estimates for ozone and two metrics associated with ozone damage to vegetation. This study shows that although inclusion of more realistic growing seasons has only small effects on annual average concentrations of pollutants such as ozone, the metrics associated with vegetation risk from ozone are significantly affected. This work demonstrates a strong need to include more realistic treatments of growing seasons in CTMs. The method used here could also be suitable for other types of models that require information on vegetation cover, such as meteorological and regional climate models. In future work, the T5 and other methods will be further evaluated for other forest species, as well as for agricultural and grassland land covers, which are important for emissions and deposition of reactive nitrogen compounds.

Maritime transport operation in conditions of globalization

Directory of Open Access Journals (Sweden)

Tomasz Nowosielski

2011-06-01

Full Text Available The contemporary world economy is subject to dynamic integration processes that cause the most open countries in the free import and export goods. Intensive trade relations requires intercontinental free access to well-functioning transport systems. In the case of trade with distant partners, especially on other continents, an important criterion for the organization of cargo handling is a long range. Technological development of means of transport has meant that transport services have become a cheap and highly accessible to passengers and cargo.

Impacts of Intercontinental Transport of Anthropogenic Fine Particulate Matter on Human Mortality

Science.gov (United States)

Anenberg, Susan C.; West, J. Jason; Hongbin, Yu; Chin, Mian; Schulz, Michael; Bergmann, Dan; Bey, Isabelle; Bian, Huisheng; Diehl, Thomas; Fiore, Arlene;

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

Energy Technology Data Exchange (ETDEWEB)

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

1990-01-01

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

Transportable lidar for the measurement of ozone concentration and flux profiles in the lower troposphere

International Nuclear Information System (INIS)

Zhao, Yanzeng; Howell, J.N.; Hardesty, R.M.

1992-01-01

In many areas of the United States, as well as in other industrial areas (such as Europe), elevated and potentially harmful levels of ozone are being measured during summer. Most of this ozone is photochemically produced. The relatively long lifetime of ozone allows industrially produced ozone to be transported on a hemispheric scale. Since the trends of tropospheric ozone are very likely dependent on the source strengths and distributions of the pollutants and the chemical/ transport process involved, a predictive understanding of tropospheric ozone climatology requires a focus on the chemical and transport processes that link regional emissions to hemispheric ozone trends and distributions. Of critical importance to these studies is a satisfactory data base of tropospheric ozone distribution from which global and regional tropospheric ozone climatology can be derived, and the processes controlling tropospheric ozone can be better understood. A transportable lidar for measuring ozone concentration and flux profiles in the lower troposphere is needed. One such system is being developed at the National Oceanic and Atmospheric Administration/Earth Resources Laboratory (NOAA/ERL) Wave Propagation Laboratory (WPL)

Local and distant residence times of contaminants in multi-compartment models. Part II: Application to assessing environmental mobility and long-range atmospheric transport

International Nuclear Information System (INIS)

Reid, Liisa; Mackay, Don

2008-01-01

In Part I, the concepts of inherent, local and distant residence times (DRTs) were reviewed as metrics of the extent to which chemical discharges or emissions in one region or box are transported to distant regions. In this second part, the concepts are applied to geographically relevant systems to illustrate their applicability to the assessment of chemicals for long-range transport potential (LRTP). It is shown that the relative ranking of chemicals as characterized by the DRT method is similar to that of the characteristic travel distance concept. A DRT source-receptor matrix is developed that can express the chemical-specific potential of source regions to contaminate a specific receptor region of concern such as the Arctic. The matrix can be modified to identify for a specific source region the likely destinations of emissions as well as to assess the relative vulnerability of regions in the global environment to contaminants of concern. - The DRT concept is applied to multi-box and geographically explicit models to assess the long-range transport potential of 10 chemicals

Spectrophotometric study of closed-tube chemical transport of vanadium oxides with TeCl/sub 4/

Energy Technology Data Exchange (ETDEWEB)

Ohtani, T; Yamaoka, T; Shimamura, K

1986-06-01

The in situ observations of the gaseous species in the closed-tube chemical transport systems, V/sub 2/O/sub 3/-TeCl/sub 4/, V/sub 5/O/sub 9/-TeCl/sub 4/, VO/sub 2/-TeCl/sub 4/, V/sub 6/O/sub 13/-TeCl/sub 4/, and V/sub 2/O/sub 5/-TeCl/sub 4/ were made by using an UV and VIS spectrophotometer which was improved for the high-temperature measurements. The measurements showed that a great majority of gaseous species in the transport tube is VOCl/sub 3/ for all the systems, which is in agreement with the earlier result of the mass spectrometry on the VO/sub 2/-TeCl/sub 4/ system.

A Model to Couple Flow, Thermal and Reactive Chemical Transport, and Geo-mechanics in Variably Saturated Media

Science.gov (United States)

Yeh, G. T.; Tsai, C. H.

2015-12-01

This paper presents the development of a THMC (thermal-hydrology-mechanics-chemistry) process model in variably saturated media. The governing equations for variably saturated flow and reactive chemical transport are obtained based on the mass conservation principle of species transport supplemented with Darcy's law, constraint of species concentration, equation of states, and constitutive law of K-S-P (Conductivity-Degree of Saturation-Capillary Pressure). The thermal transport equation is obtained based on the conservation of energy. The geo-mechanic displacement is obtained based on the assumption of equilibrium. Conventionally, these equations have been implicitly coupled via the calculations of secondary variables based on primary variables. The mechanisms of coupling have not been obvious. In this paper, governing equations are explicitly coupled for all primary variables. The coupling is accomplished via the storage coefficients, transporting velocities, and conduction-dispersion-diffusion coefficient tensor; one set each for every primary variable. With this new system of equations, the coupling mechanisms become clear. Physical interpretations of every term in the coupled equations will be discussed. Examples will be employed to demonstrate the intuition and superiority of these explicit coupling approaches. Keywords: Variably Saturated Flow, Thermal Transport, Geo-mechanics, Reactive Transport.

Comparisons of physical and chemical sputtering in high density divertor plasmas with the Monte Carlo Impurity (MCI) transport model

International Nuclear Information System (INIS)

Evans, T.E.; Loh, Y.S.; West, W.P.; Finkenthal, D.F.

1997-11-01

The MCI transport model was used to compare chemical and physical sputtering for a DIII-D divertor plasma near detachment. With physical sputtering alone the integrated carbon influx was 8.4 x 10 19 neutral/s while physical plus chemical sputtering produced an integrated carbon influx of 1.7 x 10 21 neutrals/s. The average carbon concentration in the computational volume increased from 0.012% with only physical sputtering to 0.182% with both chemical and physical sputtering. This increase in the carbon inventory produced more radiated power which is in better agreement with experimental measurements

Transportation Industry 2004

National Research Council Canada - National Science Library

Miller, Evan; Kathir, Nathan; Brogan, Dennis M

2004-01-01

.... Because the defense sector relies on commercial transportation for both peacetime activities and for power projection, senior military leaders must understand the global transportation industry...

Globalisation, transport and the environment

Science.gov (United States)

2010-01-01

OECD and the International Transport Forum (ITF) held a GLobal Forum on Transport and Environment in a Globalising World, 10-12 November 2008 in Guadalajara, Mexico. There were around 200 participants from 23 countries at the global forum, representi...

Comparison of the Chemical Composition of Mineral Particles Collected in Dunhuang, China and those Collected in the Free Troposphere over Japan: Possible Chemical Modification during Long-Range Transport

International Nuclear Information System (INIS)

Trochkine, D.; Iwasaka, Y.; Matsuki, A.; Yamada, M.; Kim, Y.-S.; Zhang, D.; Shi, G.-Y.; Shen, Z.; Li, G.

2003-01-01

The Asian continent is recognized as one of the most important sources of mineral (or soil) particles. These particles have a large potential to effect global changes through the biogeochemical cycle of particulates and through radiative balance (IPCC Third Assessment Report, 2001). Therefore, comparison of particle compositions near the source region and those after long-range transport is important in understanding the long-range particle transport phenomenon. Individual aerosol particles were collected in Dunhuang (40 o 09'N; 94 o 41'E), China. Particles were collected at the campus of the Meteorological Bureau of Dunhuang City (17 August 2001) and near the Mogao Grots, located approximately 30 km from Dunhuang (18 August 2001, 18 October 2001 and 13 January 2002) using a two-stage low-volume impactor. The morphology of individual aerosol particles and their elemental compositions were examined via a scanning electron microscope (Hitachi, S-3000N) equipped with an energy dispersive X-ray (EDX) analyzer (Horiba, EMAX-500). The particles collected at these locations were comprised primarily of minerals, with the exception of sulphate particles in the submicron range that were contained in the sample collected on 18 October 2001 (likely, ammonium sulphate). The most abundant elements were found to be Si and Al. Approximately 46-77% of the collected particles were Si-rich particles (composed primarily of quartz and aluminosilicate),and 13-41% of the collected particles were Ca-rich particles,such as calcite (CaCO 3 ), dolomite (CaMg(CO 3 ) 2 ),and gypsum (CaSO 4 c2H 2 O). The fractions of Fe-rich, Mg-rich, Ti-rich, K-rich, and Cl-rich were 3-10, 0-7, 0-3, 0-1, and 0-1%, respectively. Similar types of mineral particles were found in the free troposphere over Japan(Trochkine et al., 2002). A number of differences were found to exist between the particles collected in China and those collected in Japan, and these differences can be explained by chemical modification of

3D CFD for chemical transport profiles in a rotating disk CVD reactor

Science.gov (United States)

Han, Jong-Hyun; Yoon, Do-Young

2010-06-01

The RDCVD (Rotating Disk Chemical Vapor Deposition) technique is an appropriate method for uniform deposition of grains, such as compound semiconductior materials. The substrate temperature and rotation speed are the major factors, which determine the thickness uniformity of the deposited films. This paper investigates 3D CFD (3 Dimensional Computational Fluid Dynamics) simulation results of flow and heat transfer in a reactor of RDCVD using Fluent. In order to establish the reducibility of buoyancy effect on deposition quality, the chemical transport profile upon the disk heated is examined successfully in 3D domain for different rotating speeds. The resulting vortex flows due the simultaneous buoyance and centrifuge are discussed qualitatively in the 3D virtual system of a RDCVD reactor. 3D CFD is even more effective to describe the internal vortex flows due to the competitive inlet, buoyancy and centrifuge flows, which cannot be realized in the general 2D (2 Dimensional) CFD.[Figure not available: see fulltext.

Heat, mass, and momentum transport model for hydrogen diffusion flames in nuclear reactor containments

International Nuclear Information System (INIS)

Travis, J.R.

1985-01-01

It is now possible to analyze the time-dependent, fully three-dimensional behavior of hydrogen diffusion flames in nuclear reactor containments. This analysis involves coupling the full Navier-Stokes equations with multi-species transport to the global chemical kinetics of hydrogen combustion. A transport equation for the subgrid scale turbulent kinetic energy density is solved to produce the time and space dependent turbulent transport coefficients. The heat transfer coefficient governing the exchange of heat between fluid computational cells adjacent to wall cells is calculated by a modified Reynolds analogy formulation. The analysis of a MARK-III containment indicates very complex flow patterns that greatly influence fluid and wall temperatures and heat fluxes. 18 refs., 24 figs

Status of the solar and infrared radiation submodels in the LLNL 1-D and 2-D chemical-transport models

International Nuclear Information System (INIS)

Grant, K.E.; Taylor, K.E.; Ellis, J.S.; Wuebbles, D.J.

1987-07-01

The authors have implemented a series of state of the art radiation transport submodels in previously developed one dimensional and two dimensional chemical transport models of the troposphere and stratosphere. These submodels provide the capability of calculating accurate solar and infrared heating rates. They are a firm basis for further radiation submodel development as well as for studying interactions between radiation and model dynamics under varying conditions of clear sky, clouds, and aerosols. 37 refs., 3 figs

Transportation and the environment.

NARCIS (Netherlands)

Banister, D.; Anderton, K.; Bonilla, D.; Givoni, M.; Schwanen, T.

2011-01-01

The growth of CO2-intensive transport, mobility and the impact of transport on the environment are reviewed. The recent global exponential growth in transport is unsustainable and must end unless the transport sector can decarbonize. The paper examines solutions for low-carbon transport systems; the

NATURAL GAS TRANSPORTATION

OpenAIRE

Stanis³aw Brzeziñski

2007-01-01

In the paper, Author presents chosen aspects of natural gas transportation within global market. Natural gas transportation is a technicaly complicated and economicly expensive process; in infrastructure construction and activities costs. The paper also considers last and proposed initiatives in natural gas transportation.

Errors and improvements in the use of archived meteorological data for chemical transport modeling: an analysis using GEOS-Chem v11-01 driven by GEOS-5 meteorology

Directory of Open Access Journals (Sweden)

K. Yu

2018-01-01

Full Text Available Global simulations of atmospheric chemistry are commonly conducted with off-line chemical transport models (CTMs driven by archived meteorological data from general circulation models (GCMs. The off-line approach has the advantages of simplicity and expediency, but it incurs errors due to temporal averaging in the meteorological archive and the inability to reproduce the GCM transport algorithms exactly. The CTM simulation is also often conducted at coarser grid resolution than the parent GCM. Here we investigate this cascade of CTM errors by using 222Rn–210Pb–7Be chemical tracer simulations off-line in the GEOS-Chem CTM at rectilinear 0.25°  ×  0.3125° (≈ 25 km and 2°  ×  2.5° (≈ 200 km resolutions and online in the parent GEOS-5 GCM at cubed-sphere c360 (≈ 25 km and c48 (≈ 200 km horizontal resolutions. The c360 GEOS-5 GCM meteorological archive, updated every 3 h and remapped to 0.25°  ×  0.3125°, is the standard operational product generated by the NASA Global Modeling and Assimilation Office (GMAO and used as input by GEOS-Chem. We find that the GEOS-Chem 222Rn simulation at native 0.25°  ×  0.3125° resolution is affected by vertical transport errors of up to 20 % relative to the GEOS-5 c360 online simulation, in part due to loss of transient organized vertical motions in the GCM (resolved convection that are temporally averaged out in the 3 h meteorological archive. There is also significant error caused by operational remapping of the meteorological archive from a cubed-sphere to a rectilinear grid. Decreasing the GEOS-Chem resolution from 0.25°  ×  0.3125° to 2°  ×  2.5° induces further weakening of vertical transport as transient vertical motions are averaged out spatially and temporally. The resulting 222Rn concentrations simulated by the coarse-resolution GEOS-Chem are overestimated by up to 40 % in surface air relative to the

The understanding of the R7T7 glass blocks long term behavior: chemical and transport coupling in fractured media

International Nuclear Information System (INIS)

Chomat, L.

2008-04-01

The long term behavior of nuclear waste glass blocks depends highly on chemical reactions which occur at the surface in contact with water. Studies carried out on inactive fractured glass blocks show that fracture networks play a significant part in reactive surface area. Nevertheless, the complexity of results interpretation, due to a weak knowledge of fracture networks and local lixiviation conditions, does not allow us to comprehend the physical and chemical mechanisms involved. Model cracks are a key step to study chemical and transport coupling in fractured media. Crack lixiviation in aggressive conditions (pH≥11) show that the crack's position (horizontal or vertical) determines the dominant transport mechanism (respectively diffusion or convection induced by gravity). This gravity driven flow seems to be negligible in lower pH conditions. The convective velocity is estimated by a 1D model of reactive transport. Two other parameters are studied: the influence of thermal gradient and the influence of interconnected cracks on alteration. A strong retroactive effect of convection, due to thermal gradient, on the alteration kinetic is observed inside the crack. These works lead to a complete alteration experiment of a 163 crack network subject to a thermal gradient. The use of the geochemical software, HYTEC, within the framework of this study shows the potential of the software which is however limited by the kinetics law used. (author)

The industry commitment to global transport safety standards

International Nuclear Information System (INIS)

Green, L.

2004-01-01

Standards and regulations have no intrinsic practical effect without taking into account those who are the object of such standards and regulations. Standards and regulations do not become operationally effective until they are implemented by the entities which are subject to them. Accordingly, there is a necessary synergy between the regulator and the regulated - the regulators whose task it is to make and enforce the rules for safe, efficient and reliable transport, and those whose job it is to transport within the rules. One has no full meaning without the other. Harmonisation issues which can impede efficient and timely implementation of regulations can occur at any stage of the process, starting with the timely publication of the IAEA Regulations, incorporation by the modal organisations, adoption by national competent authorities and finally, rendered operational by industrial transport organisations. Both, the regulator and the transporter, can be more effective in achieving their purposes when they co-operate in the interest of mutual understanding. PATRAM provides one excellent opportunity for such exchange between the regulator and the regulated - there are other important opportunities within the IAEA and international modal organisations. I suggest, however, that more could be done between the regulators and the regulated collectively to share real-life experiences with actually implementing the regulations and operating within them, and to draw appropriate lessons. In the case of the international transport safety regulatory regime, it is the nuclear transport industry, such as represented by the World Nuclear Transport Institute (WNTI), which is, of course, the object of transport safety standards and regulations. And as such, the nuclear transport industry is a principal stakeholder in the regime. Regulatory compliance is a cornerstone of the nuclear transport industry. The international nature of the fuel cycle mandates transnational movement of

The industry commitment to global transport safety standards

International Nuclear Information System (INIS)

Green, L.

2004-01-01

Standards and regulations have no intrinsic practical effect without taking into account those who are the object of such standards and regulations. Standards and regulations do not become operationally effective until they are implemented by the entities which are subject to them. Accordingly, there is a necessary synergy between the regulator and the regulated-the regulators whose task it is to make and enforce the rules for safe, efficient and reliable transport, and those whose job it is to transport within the rules. One has no full meaning without the other. Harmonisation issues which can impede efficient and timely implementation of regulations can occur at any stage of the process, starting with the timely publication of the IAEA regulations, incorporation by the modal organisations, adoption by national competent authorities and finally, rendered operational by industrial transport organisations. Both the regulator and the transporter can be more effective in achieving their purposes when they cooperate in the interest of mutual understanding. PATRAM provides one excellent opportunity for such exchange between the regulator and the regulated-there are other important opportunities within the IAEA and international modal organisations. It is suggested, however, that more could be done between the regulators and the regulated collectively to share real-life experiences with actually implementing the regulations and operating within them, and to draw appropriate lessons. In the case of the international transport safety regulatory regime, it is the nuclear transport industry, such as represented by the World Nuclear Transport Institute (WNTI), which is, of course, the object of transport safety standards and regulations. And as such, the nuclear transport industry is a principal stakeholder in the regime. Regulatory compliance is a cornerstone of the nuclear transport industry. The international nature of the fuel cycle mandates transnational movement of

The industry commitment to global transport safety standards

Energy Technology Data Exchange (ETDEWEB)

Green, L. [World Nuclear Transport Inst., London (United Kingdom)

2004-07-01

Standards and regulations have no intrinsic practical effect without taking into account those who are the object of such standards and regulations. Standards and regulations do not become operationally effective until they are implemented by the entities which are subject to them. Accordingly, there is a necessary synergy between the regulator and the regulated - the regulators whose task it is to make and enforce the rules for safe, efficient and reliable transport, and those whose job it is to transport within the rules. One has no full meaning without the other. Harmonisation issues which can impede efficient and timely implementation of regulations can occur at any stage of the process, starting with the timely publication of the IAEA Regulations, incorporation by the modal organisations, adoption by national competent authorities and finally, rendered operational by industrial transport organisations. Both, the regulator and the transporter, can be more effective in achieving their purposes when they co-operate in the interest of mutual understanding. PATRAM provides one excellent opportunity for such exchange between the regulator and the regulated - there are other important opportunities within the IAEA and international modal organisations. I suggest, however, that more could be done between the regulators and the regulated collectively to share real-life experiences with actually implementing the regulations and operating within them, and to draw appropriate lessons. In the case of the international transport safety regulatory regime, it is the nuclear transport industry, such as represented by the World Nuclear Transport Institute (WNTI), which is, of course, the object of transport safety standards and regulations. And as such, the nuclear transport industry is a principal stakeholder in the regime. Regulatory compliance is a cornerstone of the nuclear transport industry. The international nature of the fuel cycle mandates transnational movement of

An energy-economic scenario analysis of alternative fuels for personal transport using the Global Multi-regional MARKAL model (GMM)

International Nuclear Information System (INIS)

Guel, Timur; Kypreos, Socrates; Turton, Hal; Barreto, Leonardo

2009-01-01

This paper deals with the long-term prospects of alternative fuels in global personal transport. It aims at assessing key drivers and key bottlenecks for their deployment, focusing particularly on the role of biofuels and hydrogen in meeting climate policy objectives. The analysis is pursued using the Global Multi-regional MARKAL model (GMM), a perfect foresight ''bottom-up'' model of the global energy system with a detailed representation of alternative fuel chains, linked to the Model for the Assessment of Greenhouse Gas Induced Climate Change (MAGICC). The analysis shows that biofuels are limited by the regional availability of low-cost biomass, but can be important for meeting mild climate policy targets. If policy-makers intend to pursue more stringent climate policy, then hydrogen becomes a competitive option. However, the analysis finds that the use of hydrogen in personal transport is restricted to very stringent climate policy, as only such policy provides enough incentive to build up the required delivery infrastructure. An analysis of costs additionally shows that ''keeping the hydrogen option open'' does not take considerable investments compared to the investment needs in the power sector within the next decades, but allows the use of hydrogen for the pursuit of stringent climate policy in the second half of the century. (author)

End-to-End Trajectory for Conjunction Class Mars Missions Using Hybrid Solar-Electric/Chemical Transportation System

Science.gov (United States)

Chai, Patrick R.; Merrill, Raymond G.; Qu, Min

2016-01-01

NASA's Human Spaceflight Architecture Team is developing a reusable hybrid transportation architecture in which both chemical and solar-electric propulsion systems are used to deliver crew and cargo to exploration destinations. By combining chemical and solar-electric propulsion into a single spacecraft and applying each where it is most effective, the hybrid architecture enables a series of Mars trajectories that are more fuel efficient than an all chemical propulsion architecture without significant increases to trip time. The architecture calls for the aggregation of exploration assets in cislunar space prior to departure for Mars and utilizes high energy lunar-distant high Earth orbits for the final staging prior to departure. This paper presents the detailed analysis of various cislunar operations for the EMC Hybrid architecture as well as the result of the higher fidelity end-to-end trajectory analysis to understand the implications of the design choices on the Mars exploration campaign.

Observation of Zn vacancies in ZnO grown by chemical vapor transport

Energy Technology Data Exchange (ETDEWEB)

Tuomisto, F.; Saarinen, K. [Laboratory of Physics, Helsinki University of Technology, P.O. Box 1100, 02015 TKK (Finland); Grasza, K.; Mycielski, A. [Institute of Physics, Polish Academy of Sciences, Lotnikow 32/46, 02-668 Warsaw (Poland)

2006-03-15

We have used positron annihilation spectroscopy to study the vacancy defects in ZnO crystals grown by both the conventional and contactless chemical vapor transport (CVT and CCVT). Our results show that Zn vacancies or Zn vacancy related defects are present in as-grown ZnO, irrespective of the growth method. Zn vacancies are observed in CVT-grown undoped ZnO and (Zn,Mn)O. The Zn vacancies present in undoped CCVT-ZnO are the dominant negatively charged point defect in the material. Doping the material with As introduces also Zn vacancy-related defect complexes with larger open volume. (copyright 2006 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Local chemical potential, local hardness, and dual descriptors in temperature dependent chemical reactivity theory.

Science.gov (United States)

Franco-Pérez, Marco; Ayers, Paul W; Gázquez, José L; Vela, Alberto

2017-05-31

In this work we establish a new temperature dependent procedure within the grand canonical ensemble, to avoid the Dirac delta function exhibited by some of the second order chemical reactivity descriptors based on density functional theory, at a temperature of 0 K. Through the definition of a local chemical potential designed to integrate to the global temperature dependent electronic chemical potential, the local chemical hardness is expressed in terms of the derivative of this local chemical potential with respect to the average number of electrons. For the three-ground-states ensemble model, this local hardness contains a term that is equal to the one intuitively proposed by Meneses, Tiznado, Contreras and Fuentealba, which integrates to the global hardness given by the difference in the first ionization potential, I, and the electron affinity, A, at any temperature. However, in the present approach one finds an additional temperature-dependent term that introduces changes at the local level and integrates to zero. Additionally, a τ-hard dual descriptor and a τ-soft dual descriptor given in terms of the product of the global hardness and the global softness multiplied by the dual descriptor, respectively, are derived. Since all these reactivity indices are given by expressions composed of terms that correspond to products of the global properties multiplied by the electrophilic or nucleophilic Fukui functions, they may be useful for studying and comparing equivalent sites in different chemical environments.

Do goethite surfaces really control the transport and retention of multi-walled carbon nanotubes in chemically heterogeneous porous media?

Science.gov (United States)

Transport and retention behavior of multiwalled carbon nanotubes (MWCNTs) was studied in mixtures of negatively charged quartz sand (QS) and positively charged goethite-coated sand (GQS) to assess the role of chemical heterogeneity. The linear equilibrium sorption model provided a good description o...

Basin-scale transport of hydrothermal dissolved metals across the South Pacific Ocean.

Science.gov (United States)

Resing, Joseph A; Sedwick, Peter N; German, Christopher R; Jenkins, William J; Moffett, James W; Sohst, Bettina M; Tagliabue, Alessandro

2015-07-09

Hydrothermal venting along mid-ocean ridges exerts an important control on the chemical composition of sea water by serving as a major source or sink for a number of trace elements in the ocean. Of these, iron has received considerable attention because of its role as an essential and often limiting nutrient for primary production in regions of the ocean that are of critical importance for the global carbon cycle. It has been thought that most of the dissolved iron discharged by hydrothermal vents is lost from solution close to ridge-axis sources and is thus of limited importance for ocean biogeochemistry. This long-standing view is challenged by recent studies which suggest that stabilization of hydrothermal dissolved iron may facilitate its long-range oceanic transport. Such transport has been subsequently inferred from spatially limited oceanographic observations. Here we report data from the US GEOTRACES Eastern Pacific Zonal Transect (EPZT) that demonstrate lateral transport of hydrothermal dissolved iron, manganese, and aluminium from the southern East Pacific Rise (SEPR) several thousand kilometres westward across the South Pacific Ocean. Dissolved iron exhibits nearly conservative (that is, no loss from solution during transport and mixing) behaviour in this hydrothermal plume, implying a greater longevity in the deep ocean than previously assumed. Based on our observations, we estimate a global hydrothermal dissolved iron input of three to four gigamoles per year to the ocean interior, which is more than fourfold higher than previous estimates. Complementary simulations with a global-scale ocean biogeochemical model suggest that the observed transport of hydrothermal dissolved iron requires some means of physicochemical stabilization and indicate that hydrothermally derived iron sustains a large fraction of Southern Ocean export production.

Securing global trade through secure freight transportation : final report.

Science.gov (United States)

2009-12-16

Given the increased probability of disruptions to global supply chains, and the significant impact these have on national and global economies, the problem is how to secure global trade. The concept of a global trade chain-of-custody has been develop...

Absorption, transport, and chemical fate of plutonium in soybean plants

International Nuclear Information System (INIS)

Garland, T.R.; Cataldo, D.A.; Wildung, R.E.

1981-01-01

Absorption of plutonium (Pu) by soybean plants (Glycine max cv. Williams) is limited by Pu solubility in soils. Changes in Pu concentration in different tissues with time to senescence indicate Pu is freely transported through the xylem during growth but not subject to remobilization on flowering. Studies in which the DTPA complex of 238 Pu was supplied to the plant suggest a change in chemical form following root absorption. Of the Pu in roots, stems, and leaves at senescence, 28, 54, and 67%, respectively, were soluble. The Pu in the solluble fraction was primarily associated with components of >10000 equivalent molecular weight in leaves and roots, whereas stems exhibited an equal distribution between components in the >10000 and <500 molecular weight fractions. Plutonium associated with mature seeds is concentrated in the seed hull (85%) and cotyledons (14%). The Pu associated with the cotyledon was primarily in the insoluble residues and soluble soy whey

Quantifying the Global Marine Biogenic Nitrogen Oxides Emissions

Science.gov (United States)

Su, H.; Wang, S.; Lin, J.; Hao, N.; Poeschl, U.; Cheng, Y.

2017-12-01

Nitrogen oxides (NOx) are among the most important molecules in atmospheric chemistry and nitrogen cycle. The NOx over the ocean areas are traditionally believed to originate from the continental outflows or the inter-continental shipping emissions. By comparing the satellite observations (OMI) and global chemical transport model simulation (GEOS-Chem), we suggest that the underestimated modeled atmospheric NO2 columns over biogenic active ocean areas can be possibly attributed to the biogenic source. Nitrification and denitrification in the ocean water produces nitrites which can be further reduced to NO through microbiological processes. We further report global distributions of marine biogenic NO emissions. The new added emissions improve the agreement between satellite observations and model simulations over large areas. Our model simulations manifest that the marine biogenic NO emissions increase the atmospheric oxidative capacity and aerosol formation rate, providing a closer link between atmospheric chemistry and ocean microbiology.

Ionic Diffusion and Kinetic Homogeneous Chemical Reactions in the Pore Solution of Porous Materials with Moisture Transport

DEFF Research Database (Denmark)

Johannesson, Björn

2009-01-01

Results from a systematic continuum mixture theory will be used to establish the governing equations for ionic diffusion and chemical reactions in the pore solution of a porous material subjected to moisture transport. The theory in use is the hybrid mixture theory (HMT), which in its general form......’s law of diffusion and the generalized Darcy’s law will be used together with derived constitutive equations for chemical reactions within phases. The mass balance equations for the constituents and the phases together with the constitutive equations gives the coupled set of non-linear differential...... general description of chemical reactions among constituents is described. The Petrov – Galerkin approach are used in favour of the standard Galerkin weighting in order to improve the solution when the convective part of the problem is dominant. A modified type of Newton – Raphson scheme is derived...

No Nation Is Home Alone: Understanding The International Dimension Of Homeland Security Through Global Transportation Security Programs

Science.gov (United States)

2016-03-01

global economy have produced security gaps susceptible to exploitation. Transportation infrastructure , such as air and seaports, can be the target...15 Karen DeYoung, “New Issue of Jihadist Magazine Produced by Al-Qaeda in Yemen Suggests Attacks on U.S.,” Washington Post, December 24, 2014. http...is a complex system of people, things, and infrastructure that cross national boundaries; security policies must continue to be implemented to

Cross-separatrix Coupling in Nonlinear Global Electrostatic Turbulent Transport in C-2U

Science.gov (United States)

Lau, Calvin; Fulton, Daniel; Bao, Jian; Lin, Zhihong; Binderbauer, Michl; Tajima, Toshiki; Schmitz, Lothar; TAE Team

2017-10-01

In recent years, the progress of the C-2/C-2U advanced beam-driven field-reversed configuration (FRC) experiments at Tri Alpha Energy, Inc. has pushed FRCs to transport limited regimes. Understanding particle and energy transport is a vital step towards an FRC reactor, and two particle-in-cell microturbulence codes, the Gyrokinetic Toroidal Code (GTC) and A New Code (ANC), are being developed and applied toward this goal. Previous local electrostatic GTC simulations find the core to be robustly stable with drift-wave instability only in the scrape-off layer (SOL) region. However, experimental measurements showed fluctuations in both regions; one possibility is that fluctuations in the core originate from the SOL, suggesting the need for non-local simulations with cross-separatrix coupling. Current global ANC simulations with gyrokinetic ions and adiabatic electrons find that non-local effects (1) modify linear growth-rates and frequencies of instabilities and (2) allow instability to move from the unstable SOL to the linearly stable core. Nonlinear spreading is also seen prior to mode saturation. We also report on the progress of the first turbulence simulations in the SOL. This work is supported by the Norman Rostoker Fellowship.

Global styrene oligomers monitoring as new chemical contamination from polystyrene plastic marine pollution.

Science.gov (United States)

Kwon, Bum Gun; Koizumi, Koshiro; Chung, Seon-Yong; Kodera, Yoichi; Kim, Jong-Oh; Saido, Katsuhiko

2015-12-30

Polystyrene (PS) plastic marine pollution is an environmental concern. However, a reliable and objective assessment of the scope of this problem, which can lead to persistent organic contaminants, has yet to be performed. Here, we show that anthropogenic styrene oligomers (SOs), a possible indicator of PS pollution in the ocean, are found globally at concentrations that are higher than those expected based on the stability of PS. SOs appear to persist to varying degrees in the seawater and sand samples collected from beaches around the world. The most persistent forms are styrene monomer, styrene dimer, and styrene trimer. Sand samples from beaches, which are commonly recreation sites, are particularly polluted with these high SOs concentrations. This finding is of interest from both scientific and public perspectives because SOs may pose potential long-term risks to the environment in combination with other endocrine disrupting chemicals. From SOs monitoring results, this study proposes a flow diagram for SOs leaching from PS cycle. Using this flow diagram, we conclude that SOs are global contaminants in sandy beaches around the world due to their broad spatial distribution. Copyright © 2015 Elsevier B.V. All rights reserved.

A fugacity approach for modeling the transport of airborne organic chemicals in an air/plant/soil system

International Nuclear Information System (INIS)

Oliver, L.D.; McKone, T.E.

1991-05-01

An important issue facing both public and private agencies is the identification and quantification of exposures by indirect pathways to toxic chemicals released to the atmosphere. With recent public concerns over pesticides such as malathion and alar in foods, greater attention is being given to the process of chemical uptake by plants. Whether chemicals taken up by plants can accumulate and ultimately enter the human food chain are important questions for determining health risks and safe levels of toxic air-pollutant emissions and pesticide application. A number of plant-toxicokinetic, or ''botanicokinetic,'' models have been developed to give estimates of how chemicals are partitioned and transported within plants. In this paper, we provide a brief review of these models, describing their main features and listing some of their advantages and disadvantages. We then describe and demonstrate a five-compartment air/plant/soil model, which builds on and extends the features included in previous models. We apply this model to the steady-state chemical partitioning of perchloroethylene, hexachlorobenzene, and 2,3,7,8-tetrachlorodibenzo-p-dioxin in grass as test cases. We conclude with a discussion of the advantages and limitations of the model

Life Cycle Inventory (LCI) Data-Treatment Chemicals, Construction Materials, Transportation, On-site Equipment, and Other Processes for Use in Spreadsheets for Environmental Footprint Analysis (SEFA)

Science.gov (United States)

This report estimates environmental emission factors (EmF) for key chemicals, construction and treatment materials, transportation/on-site equipment, and other processes used at remediation sites. The basis for chemical, construction, and treatment material EmFs is life cycle inv...

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

Science.gov (United States)

Bousserez, N.; Attie, J. L.; Peuch, V. H.; Michou, M.; Pfister, G.; Edwards, D.; Emmons, L.; Arnold, S.; Heckel, A.; Richter, A.;

Transport, mechanical and global migration data of multilayer copolyamide nanocomposite films with different layouts.

Science.gov (United States)

Scarfato, P; Garofalo, E; Di Maio, L; Incarnato, L

2017-06-01

Transport, mechanical and global migration data concern multilayer food packaging films with different layouts, all incorporating a layered silicate/polyamide nanocomposite as oxygen barrier layer, and a low-density polyethylene (LDPE) as moisture resistant layer in direct contact with food. The data are related to "Tuning of co-extrusion processing conditions and film layout to optimize the performances of PA/PE multilayer nanocomposite films for food packaging" by Garofalo et al. (2017) [1]. Nanocomposite multilayer films, with different relative layer thicknesses and clay types, were produced using a laboratory scale co-extrusion blown-film equipment and were analyzed in terms of transport to oxygen and water vapor, mechanical properties and overall migration. The results have shown that all the multilayer hybrid films, based on the copolyamide layer filled with Cloisite 30B, displayed the most significant oxygen barrier improvements and the best mechanical properties compared to the unfilled films. No significant alteration of the overall migration values was observed, as expectable [2], [3], [4]. The performance improvement was more relevant in the case of the film with the thinner nanocomposite layer.

Using Lagrangian Chemical Transport Modeling to Assess the Impact of Biomass Burning on Ozone and PM2.5

Science.gov (United States)

Alvarado, M. J.; Lonsdale, C. R.; Brodowski, C. M.

2017-12-01

One of the challenges of using in situ measurements to study the air quality and climate impacts of biomass burning is correctly determining the contribution of biomass burning sources to the measured ambient concentrations. This is especially important for policy purposes, as the ozone (O3) and fine particulate matter (PM2.5) from natural wildfires should not be confused with that from controllable anthropogenic sources. We have developed a Lagrangian chemical transport model called STILT-ASP that is able to quantify the impact of wildfire events on O3 and PM2.5 measurements made at surface monitoring sites, by mobile laboratories, or by aircraft. STILT-ASP is built by coupling the Stochastic Time Inverted Lagrangian Transport (STILT) model with AER's Aerosol Simulation Program (ASP), which has been used in many studies of the gas and aerosol chemistry of biomass burning smoke. Here we present recent revisions made in STILT-ASP v2.0, including the use of more detailed chemical speciation of fire emissions and biogenic emissions calculated using the MEGAN model with meteorological inputs consistent with those used to drive STILT. We will present the results of an evaluation of the performance of STILT-ASP v2.0 using surface, mobile lab, and aircraft data from the 2013 Houston DISCOVER-AQ campaign. STILT-ASP v2.0 showed good average performance for O3 during the peak of the high O3 episodes on Sept. 25-26, 2013, with a mean bias of -4 ppbv. We will also demonstrate the use of STILT-ASP to evaluate the impact of biomass burning on O3 and PM2.5 in urban areas and to assess the impact of remote fires on the boundary conditions used in Eulerian chemical transport models like CAMx.

Impacts of Storm Surge Mitigation Strategies on Aboveground Storage Tank Chemical Spill Transport

Science.gov (United States)

Do, C.; Bass, B. J.; Bernier, C.; Samii, A.; Dawson, C.; Bedient, P. B.

2017-12-01

The Houston Ship Channel (HSC), located in the hurricane-prone Houston-Galveston region of the upper Texas Coast, is one of the busiest waterways in the United States and is home to one of the largest petrochemical complexes in the world. Due to the proximity of the HSC to Galveston Bay and the Gulf of Mexico, chemical spills resulting from storm surge damage to aboveground storage tanks (ASTs) pose serious threats to the environment, residential communities, and national/international markets whose activities in the HSC generate billions of dollars annually. In an effort to develop a comprehensive storm surge mitigation strategy for Galveston Bay and its constituents, Rice University's Severe Storm Prediction, Education, and Evacuation from Disasters Center proposed two structural storm surge mitigation concepts, the Mid Bay Structure (MBS) and the Lower Bay Structure (LBS) as components of the Houston-Galveston Area Protection System (H-GAPS) project. The MBS consists of levees along the HSC and a navigational gate across the channel, and the LBS consists of a navigation gate and environmental gates across Bolivar Road. The impacts of these two barrier systems on the fate of AST chemical spills in the HSC have previously been unknown. This study applies the coupled 2D SWAN+ADCIRC model to simulate hurricane storm surge circulation within the Gulf of Mexico and Galveston Bay due to a synthetic storm which results in approximately 250-year surge levels in Galveston Bay. The SWAN+ADCIRC model is run using high-resolution computational meshes that incorporate the MBS and LBS scenarios, separately. The resulting wind and water velocities are then fed into a Lagrangian particle transport model to simulate the spill trajectories of the ASTs most likely to fail during the 250-year proxy storm. Results from this study illustrate how each storm surge mitigation strategy impacts the transport of chemical spills (modeled as Lagrangian particles) during storm surge as

A study on the environmental behavior of global air pollutants based on the continuous measurements of atmospheric radon concentrations

International Nuclear Information System (INIS)

Iida, Takao; Yamazawa, Hiromi

2003-01-01

Radon is a useful natural radioactive tracer of air transportation of atmospheric pollution, since radon is a noble gas and chemically inert. The atmospheric radon concentration is usually measured by a high-sensitivity electrostatic collection method or a two-filter method. The variations of radon concentrations observed over a solitary island and in the upper atmosphere are suitable for comparing with those of air pollutants. Some numerical simulation models were used to study the radon global transport in the atmosphere. In East Asia, atmospheric radon and air pollutants are transported with the air stream from the continent of China to the Northwestern Pacific Ocean. It is necessary to clarify the transport mechanism from both radon observations at various locations and numerical simulation. (author)

Assessment of ground-water flow and chemical transport in a tidally influenced aquifer using geostatistical filtering and hydrocarbon fingerprinting

International Nuclear Information System (INIS)

Marquis, S.A. Jr.; Smith, E.A.

1994-01-01

Traditional environmental investigations at tidally influenced hazardous waste sites such as marine fuel storage terminals have generally failed to characterize ground-water flow and chemical transport because they have been based on only a cursory knowledge of plume geometry, chemicals encountered, and hydrogeologic setting and synoptic ground-water level measurement. Single-time observations cannot be used to accurately determine flow direction and gradient in tidally fluctuating aquifers since these measurements delineate hydraulic head at only one point in time during a tidal cycle, not the net effect of the fluctuations. In this study, a more rigorous approach was used to characterize flow and chemical transport in a tidally influenced aquifer at a marine fuel storage terminal using: (1) ground-water-level monitoring over three tidal cycles (72 hours), (2) geostatistical filtering of ground-water-level data using 25-hour and 71-hour filtering methods, and (3) hydrocarbon fingerprinting analysis. The results from the study indicate that naphtha released from one of the on-site naphtha tanks has been the predominant contributor to the hydrocarbon plume both on-site and downgradient off-site and that net ground-water and hydrocarbon movement has been to the southeast away from the tank since 1989

Global Optimization for Transport Network Expansion and Signal Setting

OpenAIRE

Liu, Haoxiang; Wang, David Z. W.; Yue, Hao

2015-01-01

This paper proposes a model to address an urban transport planning problem involving combined network design and signal setting in a saturated network. Conventional transport planning models usually deal with the network design problem and signal setting problem separately. However, the fact that network capacity design and capacity allocation determined by network signal setting combine to govern the transport network performance requires the optimal transport planning to consider the two pr...

Global alteration of the drug-binding pocket of human P-glycoprotein (ABCB1) by substitution of fifteen conserved residues reveals a negative correlation between substrate size and transport efficiency.

Science.gov (United States)

Vahedi, Shahrooz; Chufan, Eduardo E; Ambudkar, Suresh V

2017-11-01

P-glycoprotein (P-gp), an ATP-dependent efflux pump, is linked to the development of multidrug resistance in cancer cells. However, the drug-binding sites and translocation pathways of this transporter are not yet well-characterized. We recently demonstrated the important role of tyrosine residues in regulating P-gp ATP hydrolysis via hydrogen bond formations with high affinity modulators. Since tyrosine is both a hydrogen bond donor and acceptor, and non-covalent interactions are key in drug transport, in this study we investigated the global effect of enrichment of tyrosine residues in the drug-binding pocket on the drug binding and transport function of P-gp. By employing computational analysis, 15 conserved residues in the drug-binding pocket of human P-gp that interact with substrates were identified and then substituted with tyrosine, including 11 phenylalanine (F72, F303, F314, F336, F732, F759, F770, F938, F942, F983, F994), two leucine (L339, L975), one isoleucine (I306), and one methionine (M949). Characterization of the tyrosine-rich P-gp mutant in HeLa cells demonstrated that this major alteration in the drug-binding pocket by introducing fifteen additional tyrosine residues is well tolerated and has no measurable effect on total or cell surface expression of this mutant. Although the tyrosine-enriched mutant P-gp could transport small to moderate size (transport large (>1000 Daltons) substrates such as NBD-cyclosporine A, Bodipy-paclitaxel and Bodipy-vinblastine was significantly decreased. This was further supported by the physico-chemical characterization of seventeen tested substrates, which revealed a negative correlation between drug transport and molecular size for the tyrosine-enriched P-gp mutant. Published by Elsevier Inc.

Silver chemical vapor generation for atomic absorption spectrometry: Minimization of transport losses, interferences and application to water analysis

Czech Academy of Sciences Publication Activity Database

Musil, Stanislav; Kratzer, Jan; Vobecký, Miloslav; Benada, Oldřich; Matoušek, Tomáš

2010-01-01

Roč. 25, č. 10 (2010), s. 1618-1626 ISSN 0267-9477 R&D Projects: GA ČR GA203/09/1783 Institutional research plan: CEZ:AV0Z40310501; CEZ:AV0Z50200510 Keywords : chemical vapor generation * 111Ag radioindicator * transport losses Subject RIV: CB - Analytical Chemistry, Separation Impact factor: 4.372, year: 2010

Abiotic/biotic coupling in the rhizosphere: a reactive transport modeling analysis

Science.gov (United States)

Lawrence, Corey R.; Steefel, Carl; Maher, Kate

2014-01-01

A new generation of models is needed to adequately simulate patterns of soil biogeochemical cycling in response changing global environmental drivers. For example, predicting the influence of climate change on soil organic matter storage and stability requires models capable of addressing complex biotic/abiotic interactions of rhizosphere and weathering processes. Reactive transport modeling provides a powerful framework simulating these interactions and the resulting influence on soil physical and chemical characteristics. Incorporation of organic reactions in an existing reactive transport model framework has yielded novel insights into soil weathering and development but much more work is required to adequately capture root and microbial dynamics in the rhizosphere. This endeavor provides many advantages over traditional soil biogeochemical models but also many challenges.

Atmospheric Transport and Mixing linked to Rossby Wave Breaking in GFDL Dynamical Core

Science.gov (United States)

Liu, C.; Barnes, E. A.

2015-12-01

Atmospheric transport and mixing plays an important role in the global energy balance and the distribution of health-related chemical constituents. Previous studies suggest a close linkage between large-scale transport and Rossby wave breaking (RWB). In this work, we use the GFDL spectral dynamical core to investigate this relationship and study the response of RWB-related transport in different climate scenarios. In a standard control run, we quantify the contribution of RWB to the total transport and mixing of an idealized tracer. In addition, we divide the contribution further into the two types of RWB - anticyclonic wave breaking (AWB) and cyclonic wave breaking (CWB) -- and contrast their efficiency at transport and mixing. Our results are compared to a previous study in which the transport ability of the two types of RWB is studied for individual baroclinic wave life-cycles. In a series of sensitivity runs, we study the response of RWB-related transport and mixing to various states of the jet streams. The responses of the mean strength, frequency, and the efficiency of RWB-related transport are documented and the implications for the transport and mixing in a warmer climate are discussed.

Alternative "global warming" metrics in life cycle assessment: a case study with existing transportation data.

Science.gov (United States)

Peters, Glen P; Aamaas, Borgar; T Lund, Marianne; Solli, Christian; Fuglestvedt, Jan S

2011-10-15

The Life Cycle Assessment (LCA) impact category "global warming" compares emissions of long-lived greenhouse gases (LLGHGs) using Global Warming Potential (GWP) with a 100-year time-horizon as specified in the Kyoto Protocol. Two weaknesses of this approach are (1) the exclusion of short-lived climate forcers (SLCFs) and biophysical factors despite their established importance, and (2) the use of a particular emission metric (GWP) with a choice of specific time-horizons (20, 100, and 500 years). The GWP and the three time-horizons were based on an illustrative example with value judgments and vague interpretations. Here we illustrate, using LCA data of the transportation sector, the importance of SLCFs relative to LLGHGs, different emission metrics, and different treatments of time. We find that both the inclusion of SLCFs and the choice of emission metric can alter results and thereby change mitigation priorities. The explicit inclusion of time, both for emissions and impacts, can remove value-laden assumptions and provide additional information for impact assessments. We believe that our results show that a debate is needed in the LCA community on the impact category "global warming" covering which emissions to include, the emission metric(s) to use, and the treatment of time.

Modelling the gas transport and chemical processes related to clad oxidation and hydriding

Energy Technology Data Exchange (ETDEWEB)

Montgomery, R O; Rashid, Y R [ANATECH Research Corp., San Diego, CA (United States)

1997-08-01

Models are developed for the gas transport and chemical processes associated with the ingress of steam into a LWR fuel rod through a small defect. These models are used to determine the cladding regions in a defective fuel rod which are susceptible to massive hydriding and the creation of sunburst hydrides. The brittle nature of zirconium hydrides (ZrH{sub 2}) in these susceptible regions produces weak spots in the cladding which can act as initiation sites for cladding cracks under certain cladding stress conditions caused by fuel cladding mechanical interaction. The modeling of the axial gas transport is based on gaseous bimolar diffusion coupled with convective mass transport using the mass continuity equation. Hydrogen production is considered from steam reaction with cladding inner surface, fission products and internal components. Eventually, the production of hydrogen and its diffusion along the length results in high hydrogen concentration in locations remote from the primary defect. Under these conditions, the hydrogen can attack the cladding inner surface and breakdown the protective ZrO{sub 2} layer locally, initiating massive localized hydriding leading to sunburst hydride. The developed hydrogen evolution model is combined with a general purpose fuel behavior program to integrate the effects of power and burnup into the hydriding kinetics. Only in this manner can the behavior of a defected fuel rod be modeled to determine the conditions the result in fuel rod degradation. (author). 14 refs, 6 figs.

Stochastic models of intracellular transport

KAUST Repository

Bressloff, Paul C.; Newby, Jay M.

2013-01-01

mechanisms for intracellular transport: passive diffusion and motor-driven active transport. Diffusive transport can be formulated in terms of the motion of an overdamped Brownian particle. On the other hand, active transport requires chemical energy, usually

Real Time Global Tests of the ALICE High Level Trigger Data Transport Framework

CERN Document Server

Becker, B.; Cicalo J.; Cleymans, C.; de Vaux, G.; Fearick, R.W.; Lindenstruth, V.; Richter, M.; Rorich, D.; Staley, F.; Steinbeck, T.M.; Szostak, A.; Tilsner, H.; Weis, R.; Vilakazi, Z.Z.

2008-01-01

The High Level Trigger (HLT) system of the ALICE experiment is an online event filter and trigger system designed for input bandwidths of up to 25 GB/s at event rates of up to 1 kHz. The system is designed as a scalable PC cluster, implementing several hundred nodes. The transport of data in the system is handled by an object-oriented data flow framework operating on the basis of the publisher-subscriber principle, being designed fully pipelined with lowest processing overhead and communication latency in the cluster. In this paper, we report the latest measurements where this framework has been operated on five different sites over a global north-south link extending more than 10,000 km, processing a ``real-time'' data flow.

Sustainable Transportation

DEFF Research Database (Denmark)

Hall, Ralph P.; Gudmundsson, Henrik; Marsden, Greg

2014-01-01

The transportation system is the backbone of economic and social progress and the means by which humans access goods and services and connect with one another. Yet, as the scale of transportation activities has grown worldwide, so too have the negative environmental, social, and economic impacts...... that relate to the construction and maintenance of transportation infrastructure and the operation or use of the different transportation modes. The concept of sustainable transportation emerged in response to these concerns as part of the broader notion of sustainable development. Given the transportation...... sector’s significant contribution to global challenges such as climate change, it is often said that sustainable development cannot be achieved without sustainable transportation....

Chemical Structure and Dynamics annual report 1997

International Nuclear Information System (INIS)

Colson, S.D.; McDowell, R.S.

1998-03-01

The Chemical Structure and Dynamics (CS and D) program is a major component of the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL), developed by Pacific Northwest National Laboratory (PNNL) to provide a state-of-the-art collaborative facility for studies of chemical structure and dynamics. The authors respond to the need for a fundamental, molecular level understanding of chemistry at a wide variety of environmentally important interfaces by: (1) extending the experimental characterization and theoretical description of chemical reactions to encompass the effects of condensed media and interfaces; (2) developing a multidisciplinary capability for describing interfacial chemical processes within which the new knowledge generated can be brought to bear on complex phenomena in environmental chemistry and in nuclear waste processing and storage; and (3) developing state-of-the-art analytical methods for characterizing complex materials of the types found in stored wastes and contaminated soils, and for detecting and monitoring trace atmospheric species. The focus of the research is defined primarily by DOE's environmental problems: fate and transport of contaminants in the subsurface environment, processing and storage of waste materials, cellular effects of chemical and radiological insult, and atmospheric chemistry as it relates to air quality and global change. Twenty-seven projects are described under the following topical sections: Reaction mechanisms at interfaces; High-energy processes at environmental interfaces; Cluster models of the condensed phase; and Miscellaneous

Chemical Structure and Dynamics annual report 1997

Energy Technology Data Exchange (ETDEWEB)

Colson, S.D.; McDowell, R.S.

1998-03-01

The Chemical Structure and Dynamics (CS and D) program is a major component of the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL), developed by Pacific Northwest National Laboratory (PNNL) to provide a state-of-the-art collaborative facility for studies of chemical structure and dynamics. The authors respond to the need for a fundamental, molecular level understanding of chemistry at a wide variety of environmentally important interfaces by: (1) extending the experimental characterization and theoretical description of chemical reactions to encompass the effects of condensed media and interfaces; (2) developing a multidisciplinary capability for describing interfacial chemical processes within which the new knowledge generated can be brought to bear on complex phenomena in environmental chemistry and in nuclear waste processing and storage; and (3) developing state-of-the-art analytical methods for characterizing complex materials of the types found in stored wastes and contaminated soils, and for detecting and monitoring trace atmospheric species. The focus of the research is defined primarily by DOE`s environmental problems: fate and transport of contaminants in the subsurface environment, processing and storage of waste materials, cellular effects of chemical and radiological insult, and atmospheric chemistry as it relates to air quality and global change. Twenty-seven projects are described under the following topical sections: Reaction mechanisms at interfaces; High-energy processes at environmental interfaces; Cluster models of the condensed phase; and Miscellaneous.

Exploring the planetary boundary for chemical pollution.

Science.gov (United States)

Diamond, Miriam L; de Wit, Cynthia A; Molander, Sverker; Scheringer, Martin; Backhaus, Thomas; Lohmann, Rainer; Arvidsson, Rickard; Bergman, Åke; Hauschild, Michael; Holoubek, Ivan; Persson, Linn; Suzuki, Noriyuki; Vighi, Marco; Zetzsch, Cornelius

2015-05-01

Rockström et al. (2009a, 2009b) have warned that humanity must reduce anthropogenic impacts defined by nine planetary boundaries if "unacceptable global change" is to be avoided. Chemical pollution was identified as one of those boundaries for which continued impacts could erode the resilience of ecosystems and humanity. The central concept of the planetary boundary (or boundaries) for chemical pollution (PBCP or PBCPs) is that the Earth has a finite assimilative capacity for chemical pollution, which includes persistent, as well as readily degradable chemicals released at local to regional scales, which in aggregate threaten ecosystem and human viability. The PBCP allows humanity to explicitly address the increasingly global aspects of chemical pollution throughout a chemical's life cycle and the need for a global response of internationally coordinated control measures. We submit that sufficient evidence shows stresses on ecosystem and human health at local to global scales, suggesting that conditions are transgressing the safe operating space delimited by a PBCP. As such, current local to global pollution control measures are insufficient. However, while the PBCP is an important conceptual step forward, at this point single or multiple PBCPs are challenging to operationalize due to the extremely large number of commercial chemicals or mixtures of chemicals that cause myriad adverse effects to innumerable species and ecosystems, and the complex linkages between emissions, environmental concentrations, exposures and adverse effects. As well, the normative nature of a PBCP presents challenges of negotiating pollution limits amongst societal groups with differing viewpoints. Thus, a combination of approaches is recommended as follows: develop indicators of chemical pollution, for both control and response variables, that will aid in quantifying a PBCP(s) and gauging progress towards reducing chemical pollution; develop new technologies and technical and social

Global network centrality of university rankings

Science.gov (United States)

Guo, Weisi; Del Vecchio, Marco; Pogrebna, Ganna

2017-10-01

Universities and higher education institutions form an integral part of the national infrastructure and prestige. As academic research benefits increasingly from international exchange and cooperation, many universities have increased investment in improving and enabling their global connectivity. Yet, the relationship of university performance and its global physical connectedness has not been explored in detail. We conduct, to our knowledge, the first large-scale data-driven analysis into whether there is a correlation between university relative ranking performance and its global connectivity via the air transport network. The results show that local access to global hubs (as measured by air transport network betweenness) strongly and positively correlates with the ranking growth (statistical significance in different models ranges between 5% and 1% level). We also found that the local airport's aggregate flight paths (degree) and capacity (weighted degree) has no effect on university ranking, further showing that global connectivity distance is more important than the capacity of flight connections. We also examined the effect of local city economic development as a confounding variable and no effect was observed suggesting that access to global transportation hubs outweighs economic performance as a determinant of university ranking. The impact of this research is that we have determined the importance of the centrality of global connectivity and, hence, established initial evidence for further exploring potential connections between university ranking and regional investment policies on improving global connectivity.

Intercontinental Transport of Air Pollution

Science.gov (United States)

Rogers, David; Whung, Pai-Yei; Einaudi, Franco (Technical Monitor)

2001-01-01

The development of the global economy goes beyond raising our standards of living. We are in an ear of increasing environmental as well as economic interdependence. Long-range transport of anthropogenic atmospheric pollutants such as ozone, ozone precursors, airborne particles, heavy metals (such as mercury) and persistent organic pollutants are the four major types of pollution that are transported over intercontinental distances and have global environmental effects. The talk includes: 1) an overview of the international agreements related to intercontinental transport of air pollutants, 2) information needed for decision making, 3) overview of the past research on intercontinental transport of air pollutants - a North American's perspective, and 4) future research needs.

NATO Advanced Study Institute on Chemical Transport in Melasomatic Processes

CERN Document Server

1987-01-01

As indicated on the title page, this book is an outgrowth of the NATO Advanced Study Institute (ASI) on Chemical Transport in Metasomatic Processes, which was held in Greece, June 3-16, 1985. The ASI consisted of five days of invited lectures, poster sessions, and discussion at the Club Poseidon near Loutraki, Corinthia, followed by a two-day field trip in Corinthia and Attica. The second week of the ASI consisted of an excursion aboard M/S Zeus, M/Y Dimitrios II, and the M/S Irini to four of the Cycladic Islands to visit, study, and sample outstanding exposures of metasomatic activity on Syros, Siphnos, Seriphos, and Naxos. Nine­ teen invited lectures and 10 session chairmen/discussion leaders participated in the ASI, which was attended by a total of 92 professional scientists and graduate stu­ dents from 15 countries. Seventeen of the invited lectures and the Field Excursion Guide are included in this volume, together with 10 papers and six abstracts representing contributed poster sessions. Although more...

Chemical physics of electroactive materials: concluding remarks.

Science.gov (United States)

Rutland, Mark W

2017-07-01

It is an honour to be charged with providing the concluding remarks for a Faraday Discussion. As many have remarked before, it is nonetheless a prodigious task, and what follows is necessarily a personal, and probably perverse, view of a watershed event in the Chemical Physics of Electroactive materials. The spirit of the conference was captured in a single sentence during the meeting itself."It is the nexus between rheology, electrochemistry, colloid science and energy storage". The current scientific climate is increasingly dominated by a limited number of global challenges, and there is thus a tendency for research to resemble a football match played by 6 year olds, where everyone on the field chases the (funding) ball instead of playing to their "discipline". It is thus reassuring to see how the application of rigorous chemical physics is leading to ingenious new solutions for both energy storage and harvesting, via, for example, nanoactuation, electrowetting, ionic materials and nanoplasmonics. In fact, the same language of chemical physics allows seamless transition between applications as diverse as mechano-electric energy generation, active moisture transport and plasmonic shutters - even the origins of life were addressed in the context of electro-autocatalysis!

Description and evaluation of the Model for Ozone and Related chemical Tracers, version 4 (MOZART-4

Directory of Open Access Journals (Sweden)

L. K. Emmons

2010-01-01

Full Text Available The Model for Ozone and Related chemical Tracers, version 4 (MOZART-4 is an offline global chemical transport model particularly suited for studies of the troposphere. The updates of the model from its previous version MOZART-2 are described, including an expansion of the chemical mechanism to include more detailed hydrocarbon chemistry and bulk aerosols. Online calculations of a number of processes, such as dry deposition, emissions of isoprene and monoterpenes and photolysis frequencies, are now included. Results from an eight-year simulation (2000–2007 are presented and evaluated. The MOZART-4 source code and standard input files are available for download from the NCAR Community Data Portal (http://cdp.ucar.edu.

Exploring the planetary boundary for chemical pollution

DEFF Research Database (Denmark)

Diamond, Miriam L.; de Wit, Cynthia A.; Molander, Sverker

2015-01-01

Rockström et al. (2009a, 2009b) have warned that humanity must reduce anthropogenic impacts defined by nine planetary boundaries if "unacceptable global change" is to be avoided. Chemical pollution was identified as one of those boundaries for which continued impacts could erode the resilience...... of ecosystems and humanity. The central concept of the planetary boundary (or boundaries) for chemical pollution (PBCP or PBCPs) is that the Earth has a finite assimilative capacity for chemical pollution, which includes persistent, as well as readily degradable chemicals released at local to regional scales......, which in aggregate threaten ecosystem and human viability. The PBCP allows humanity to explicitly address the increasingly global aspects of chemical pollution throughout a chemical's life cycle and the need for a global response of internationally coordinated control measures. We submit that sufficient...

Chemical and toxicological characterization of exhaust emissions from alternative fuels for urban public transport

International Nuclear Information System (INIS)

Turrio Baldassarri, L.; Conti, R.; Crebelli, B.; Iamicelli, A.L.; De Berardis, M.; Gambino, A.L.; Iannaccone, S.

2008-01-01

The Istituto Superiore di Sanita (ISS, the National Institute of Health of Italy) and the Istituto dei Motori (IM) of the Consiglio Nazionale delle Ricerche (CNR, National Research Council) have carried out this study, jointly funded by the two institutes together with the Ministry of Environment. The chemical and toxicological characteristics of emissions from two urban bus engines were studied: a diesel engine fueled with both diesel oil and bio diesel blend and an equivalent spark-ignition one fuelled with compressed natural gas, operating in steady-state conditions. Regulated and unregulated pollutants, such as carcinogenic polycyclic aromatic hydrocarbons and nitrated derivatives, carbonyl compounds and light aromatic hydrocarbons were quantified. Mutagenicity of the emissions was evaluated by the Salmonella typhimurium/mammalian microsome assay. The effect of the fuels under study on the size distribution of particulate matter was also evaluated. The impact of diesel-powered transport on urban air quality, and the potential benefits for human health deriving from the use of natural gas for public transport, are discussed [it

Transportation

National Research Council Canada - National Science Library

Allshouse, Michael; Armstrong, Frederick Henry; Burns, Stephen; Courts, Michael; Denn, Douglas; Fortunato, Paul; Gettings, Daniel; Hansen, David; Hoffman, D. W; Jones, Robert

2007-01-01

.... The ability of the global transportation industry to rapidly move passengers and products from one corner of the globe to another continues to amaze even those wise to the dynamics of such operations...

Modeling the global atmospheric transport and deposition of mercury to the Great Lakes

Directory of Open Access Journals (Sweden)

Mark D. Cohen

2016-07-01

Full Text Available Abstract Mercury contamination in the Great Lakes continues to have important public health and wildlife ecotoxicology impacts, and atmospheric deposition is a significant ongoing loading pathway. The objective of this study was to estimate the amount and source-attribution for atmospheric mercury deposition to each lake, information needed to prioritize amelioration efforts. A new global, Eulerian version of the HYSPLIT-Hg model was used to simulate the 2005 global atmospheric transport and deposition of mercury to the Great Lakes. In addition to the base case, 10 alternative model configurations were used to examine sensitivity to uncertainties in atmospheric mercury chemistry and surface exchange. A novel atmospheric lifetime analysis was used to characterize fate and transport processes within the model. Model-estimated wet deposition and atmospheric concentrations of gaseous elemental mercury (Hg(0 were generally within ∼10% of measurements in the Great Lakes region. The model overestimated non-Hg(0 concentrations by a factor of 2–3, similar to other modeling studies. Potential reasons for this disagreement include model inaccuracies, differences in atmospheric Hg fractions being compared, and the measurements being biased low. Lake Erie, downwind of significant local/regional emissions sources, was estimated by the model to be the most impacted by direct anthropogenic emissions (58% of the base case total deposition, while Lake Superior, with the fewest upwind local/regional sources, was the least impacted (27%. The U.S. was the largest national contributor, followed by China, contributing 25% and 6%, respectively, on average, for the Great Lakes. The contribution of U.S. direct anthropogenic emissions to total mercury deposition varied between 46% for the base case (with a range of 24–51% over all model configurations for Lake Erie and 11% (range 6–13% for Lake Superior. These results illustrate the importance of atmospheric

Transport Infrastructure and the Environment in the Global South: Sustainable Mobility and Urbanism

Directory of Open Access Journals (Sweden)

Robert Cervero

2015-04-01

Full Text Available Abstrak. Integrasi infrastruktur transportasi dan perkembangan kota harus ditingkatkan kepentingannya. Di banyak kota di belahan bumi bagian selatan, investasi pada Bus Rapid Transit (BRT memberikan kesempatan untuk peningkatan tersebut. Akan tetapi, sampai saat ini, sistem BRT telah gagal dalam menciptakan pembangunan yang kompak dan multi-guna bukan saja karena kurangnya perencanaan strategis kawasan stasiun tetapi juga dampak dari penempatan jalur-jalur dan stasiun pada wilayah perkotaan yang stagnan dan pada median jalan yang sibuk. Sistem BRT selama ini dipertimbangkan dan dirancang sebagai suatu investasi pergerakan dan bukan pembentuk kota. Disebabkan mayoritas pertumbuhan kota di masa depan di seluruh dunia akan berada pada kota-kota menengah yang cocok untuk investasi BRT, kesempatan untuk membuat sistem BRT sebagai investasi pembentuk kota tidak boleh disia-siakan. Pembangunan yang berorientasi transit adalah salah satu dari sejumlah model yang paling menjanjikan untuk mendorong pola pergerakan dan urbanisasi yang lebih berkelanjutan di kota-kota di belahan bumi selatan.Kata kunci. Transportasi publik, bus rapid transit, tata guna lahan, keberlanjutan, pembangunan berorientasi transitAbstract. The integration of transport infrastructure and urban development must be elevated in importance. In many cities of the Global South, recent Bus Rapid Transit (BRT investments provide an unprecedented opportunity to do just that. To date, however, BRT systems have failed to leverage compact, mixed-use development due not only to little strategic station-area planning but also factors like siting lines and stations in stagnant urban districts and busy roadway medians. BRT systems are being conceived and designed as mobility investments rather than city-shaping ones. Given that the majority of future urban growth worldwide will be in intermediate-size cities well-suited for BRT investments, the opportunities for making these not only mobility

Lagrangian Characterization of the Sources and Chemical Transformation of Airmasses Observed by the NASA DC-8 During ICARTT/INTEX-A

Science.gov (United States)

Al-Saadi, J.; Pierce, R. B.; Fairlie, T. D.; Kittaka, C.; Schaack, T. K.; Zapotocny, T.; Johnson, D. R.; Avery, M. A.; Thompson, A.; Cohen, R. C.; Dibb, J. E.; Crawford, J. H.; Rault, D. F.; Szykman, J. J.; Martin, R.

2005-12-01

The global component of the Regional Air Quality Modeling System (RAQMS global) was used to provide atmospheric chemical composition forecasts for flight planning purposes during the 2004 ICARTT/INTEX-A measurement campaign. A unique aspect of these predictions is that satellite ozone observations, including high-vertical-resolution stratospheric profiles, are assimilated to improve the chemical forecasts. Post mission analysis has focused on using Lagrangian back trajectories, initialized from the NASA DC-8 flight track, to characterize the airmasses sampled by the DC-8. In this analysis the dynamical and chemical fields generated by the RAQMS-global prediction are sampled by 5-day back trajectories and then composited to identify the source regions and chemical and dynamical influences on the sampled airmasses. We briefly demonstrate the fidelity of the RAQMS global predictions through comparisons with ozonesonde and aircraft insitu measurements. We then show results of the Lagrangian source analysis to demonstrate the contributions of chemical and dynamical processes to the observed airmass composition, particularly focusing on budgets of ozone and nitrogen oxides. Our analysis shows that the middle and upper tropospheric air sampled over the continental US during July 2004 was strongly influenced by remote source regions including the central Pacific lower stratosphere, eastern Pacific mid troposphere, Canadian free troposphere, and maritime air from the Gulf of Mexico and the Bahamas. Convective vertical exchange during long range transport of these air masses results in a vertical coupling between the upper and lower troposphere, with Lagrangian averaged convective sinks of upper tropospheric ozone and convective sources of lower tropospheric and boundary layer ozone.

Chemical characterization of long-range transport biomass burning emissions to the Himalayas: insights from high-resolution aerosol mass spectrometry

Science.gov (United States)

Zhang, Xinghua; Xu, Jianzhong; Kang, Shichang; Liu, Yanmei; Zhang, Qi

2018-04-01

An intensive field measurement was conducted at a remote, background, high-altitude site (Qomolangma Station, QOMS, 4276 m a.s.l.) in the northern Himalayas, using an Aerodyne high-resolution time-of-flight aerosol mass spectrometer (HR-ToF-AMS) along with other collocated instruments. The field measurement was performed from 12 April to 12 May 2016 to chemically characterize the high time-resolved submicron particulate matter (PM1) and obtain the dynamic processes (emissions, transport, and chemical evolution) of biomass burning (BB), frequently transported from South Asia to the Himalayas during pre-monsoon season. Overall, the average (±1σ) PM1 mass concentration was 4.44 (±4.54) µg m-3 for the entire study, which is comparable with those observed at other remote sites worldwide. Organic aerosol (OA) was the dominant PM1 species (accounting for 54.3 % of total PM1 on average) followed by black carbon (BC) (25.0 %), sulfate (9.3 %), ammonium (5.8 %), nitrate (5.1 %), and chloride (0.4 %). The average size distributions of PM1 species all peaked at an overlapping accumulation mode (˜ 500 nm), suggesting that aerosol particles were internally well-mixed and aged during long-range transport. Positive matrix factorization (PMF) analysis on the high-resolution organic mass spectra identified three distinct OA factors, including a BB-related OA (BBOA, 43.7 %), a nitrogen-containing OA (NOA, 13.9 %) and a more-oxidized oxygenated OA (MO-OOA, 42.4 %). Two polluted episodes with enhanced PM1 mass loadings and elevated BBOA contributions from the west and southwest of QOMS during the study were observed. A typical BB plume was investigated in detail to illustrate the chemical evolution of aerosol characteristics under distinct air mass origins, meteorological conditions, and atmospheric oxidation processes.

Chemical form of selenium affects its uptake, transport, and glutathione peroxidase activity in the human intestinal Caco-2 cell model.

Science.gov (United States)

Zeng, Huawei; Jackson, Matthew I; Cheng, Wen-Hsing; Combs, Gerald F

2011-11-01

Determining the effect of selenium (Se) chemical form on uptake, transport, and glutathione peroxidase activity in human intestinal cells is critical to assess Se bioavailability at nutritional doses. In this study, we found that two sources of L-selenomethionine (SeMet) and Se-enriched yeast each increased intracellular Se content more effectively than selenite or methylselenocysteine (SeMSC) in the human intestinal Caco-2 cell model. Interestingly, SeMSC, SeMet, and digested Se-enriched yeast were transported at comparable efficacy from the apical to basolateral sides, each being about 3-fold that of selenite. In addition, these forms of Se, whether before or after traversing from apical side to basolateral side, did not change the potential to support glutathione peroxidase (GPx) activity. Although selenoprotein P has been postulated to be a key Se transport protein, its intracellular expression did not differ when selenite, SeMSC, SeMet, or digested Se-enriched yeast was added to serum-contained media. Taken together, our data show, for the first time, that the chemical form of Se at nutritional doses can affect the absorptive (apical to basolateral side) efficacy and retention of Se by intestinal cells; but that, these effects are not directly correlated to the potential to support GPx activity.

Global changes and the air-sea exchange of chemicals. Reports and studies. No. 48

Energy Technology Data Exchange (ETDEWEB)

GESAMP-IMO/FAO/UNESCO/WMO/WHO/IAEA/UN/UNEP Joint Group of Experts on the Scientific Aspects of Marine Pollution

1992-12-31

Present and future changes to global environment have implications for marine pollution and for air-sea exchange of both anthropogenic and natural substances. This report addresses 3 issues related to potential impact of global change on air-sea exchange of chemicals: Global change and air-sea transfer of nutrients nitrogen and iron. Global change and air-sea exchange of gases. Oceanic responses to radiative and oxidative changes in atmosphere. Deposition of atmospheric anthropogenic nitrogen has probably increased bio- productivity in coastal regions along continental margins. Atmospheric deposition of new nitrogen may also have increased productivity somewhat in mid-ocean regions. Projected future increases of N oxide emissions from Asia, Africa and South America will increase the rate of deposition of oxidized nitrogen to central North Pacific, equatorial Atlantic, and equatorial and central South Indian Oceans. Atmospheric iron may be an important nutrient in certain open regions. Future changes will likely occur from changed aridity and wind speed as a result of climate change. The most important future effects on surface ocean p{sub CO2} will likely be caused by changes in ocean circulation. The pH of ocean would decrease by {approx}0.3 units for a doubling of p{sub CO2}, reducing the capacity of the ocean to take up CO{sub 2}. There is evidence that dimethyl sulfide from ocean is a source of cloud condensation nuclei and thus a factor controlling cloud albedo. By 2060 in the southern hemisphere reduction in total column stratospheric ozone from recent levels could reach 2 to 5% in the tropics, 10% at mid latitudes, and over 20% at 60 deg C. S. Increases in ground-level effective UV-B radiation could also reach 5%, 26% and 66%, at low, mid, and high latitudes in southern hemisphere. Changes in photochemical processes in the surface waters of the ocean could also happen.

Seasonal variation of spherical aerosols distribution in East Asia based on ground and space Lidar observation and a Chemical transport model

Science.gov (United States)

Hara, Y.; Yumimoto, K.; Uno, I.; Shimizu, A.; Sugimoto, N.; Ohara, T.

2009-12-01

The anthropogenic aerosols largely impact on not only human health but also global climate system, therefore air pollution in East Asia due to a rapid economic growth has been recognized as a significant environmental problem. Several international field campaigns had been conducted to elucidate pollutant gases, aerosols characteristics and radiative forcing in East Asia. (e.g., ACE-Asia, TRACE-P, ADEC, EAREX 2005). However, these experiments were mainly conducted in springtime, therefore seasonal variation of aerosols distribution has not been clarified well yet. National Institute for Environmental Studies (NIES) has been constructing a lidar networks by automated dual wavelength / polarization Mie-lidar systems to observe the atmospheric environment in Asian region since 2001. Furthermore, from June 2006, space-borne backscatter lidar, Cloud-Aerosol Lidar with Orthogonal Polarization (CALIOP), onboard NASA/CALIPSO satellite, measures continuous global aerosol and cloud vertical distribution with very high spatial resolution. In this paper, we will show the seasonal variation of aerosols distribution in East Asia based on the NIES lidar network observation, Community Multi-scale Air Quality Modeling System (CMAQ) chemical transport model simulation and CALIOP observation over the period from July 2006 to December 2008. We found that CMAQ result explains the typical seasonal aerosol characteristics by lidar observations. For example, CMAQ and ground lidar showed a summertime peak of aerosol optical thickness (AOT) at Beijing, an autumn AOT peak at Guangzhou and summertime AOT trough at Hedo, Okinawa. These characteristics are mainly controlled by seasonal variations of Asian summer/winter monsoon system. We also examined the CMAQ seasonal average aerosol extinction profiles with ground lidar and CALIOP extinction data. These comparisons clarified that the CMAQ reproduced the observed aerosol layer depth well in the downwind region. Ground lidar and CALIOP seasonal

Environmental Upgrading in Global Value Chains

DEFF Research Database (Denmark)

Poulsen, René Taudal; Ponte, Stefano; Sornn-Friese, Henrik

2018-01-01

Ports are crucial hubs in the functioning of the global economy, and maritime transport is a major emitter of air pollutants. Ports have considerable potential for promoting environmental upgrading in maritime transport and along global value chains more generally, but so far have been only...... partially successful in doing so. We examine results, limitations and future potential of voluntary initiatives that have been carried out by selected European and North American port authorities, which are considered frontrunners in environmental management. Drawing from the insights of global value chain...... their organizational and physical boundaries: by lowering tool implementation complexity through stronger collaboration within global value chains; and by enhancing emission visibility through alliances with cargo-owners and regulators....

Greenhouse Gases Emission and Global Warming Potential as Affected by Chemical Inputs for Main Cultivated Crops in Kerman Province: - Horticultural Crops

OpenAIRE

Nasibe Pourghasemian; Rooholla Moradi

2017-01-01

Introduction The latest report of the IPCC states that future emissions of greenhouse gases (GHGs) will continue to increase and will be the main cause of global climatic changes, as well as Iran. The three greenhouse gases associated with agriculture are CO2, CH4, and N2O. Chemical inputs consumption in agriculture has increased annually, while more intensive use of energy led to some important human health and environmental problems such as greenhouse gas emissions and global warming. Th...

Global NOx emission estimates derived from an assimilation of OMI tropospheric NO2 columns

Directory of Open Access Journals (Sweden)

K. Sudo

2012-03-01

Full Text Available A data assimilation system has been developed to estimate global nitrogen oxides (NOx emissions using OMI tropospheric NO2 columns (DOMINO product and a global chemical transport model (CTM, the Chemical Atmospheric GCM for Study of Atmospheric Environment and Radiative Forcing (CHASER. The data assimilation system, based on an ensemble Kalman filter approach, was applied to optimize daily NOx emissions with a horizontal resolution of 2.8° during the years 2005 and 2006. The background error covariance estimated from the ensemble CTM forecasts explicitly represents non-direct relationships between the emissions and tropospheric columns caused by atmospheric transport and chemical processes. In comparison to the a priori emissions based on bottom-up inventories, the optimized emissions were higher over eastern China, the eastern United States, southern Africa, and central-western Europe, suggesting that the anthropogenic emissions are mostly underestimated in the inventories. In addition, the seasonality of the estimated emissions differed from that of the a priori emission over several biomass burning regions, with a large increase over Southeast Asia in April and over South America in October. The data assimilation results were validated against independent data: SCIAMACHY tropospheric NO2 columns and vertical NO2 profiles obtained from aircraft and lidar measurements. The emission correction greatly improved the agreement between the simulated and observed NO2 fields; this implies that the data assimilation system efficiently derives NOx emissions from concentration observations. We also demonstrated that biases in the satellite retrieval and model settings used in the data assimilation largely affect the magnitude of estimated emissions. These dependences should be carefully considered for better understanding NOx sources from top-down approaches.

Modulation of Xenobiotic Metabolizing Enzyme and Transporter Gene Expression in Primary Cultures of Human Hepatocytes by ToxCast Chemicals

Science.gov (United States)

ToxCast chemicals were assessed for induction or suppression of xenobiotic metabolizing enzyme and transporter gene expression using primary human hepatocytes. The mRNA levels of 14 target and 2 control genes were measured: ABCB1, ABCB11, ABCG2, SLCO1B1, CYP1A1, CYP1A2, CYP2B6, C...

Accelerating the Global Nested Air Quality Prediction Modeling System (GNAQPMS) model on Intel Xeon Phi processors

OpenAIRE

Wang, Hui; Chen, Huansheng; Wu, Qizhong; Lin, Junming; Chen, Xueshun; Xie, Xinwei; Wang, Rongrong; Tang, Xiao; Wang, Zifa

2017-01-01

The GNAQPMS model is the global version of the Nested Air Quality Prediction Modelling System (NAQPMS), which is a multi-scale chemical transport model used for air quality forecast and atmospheric environmental research. In this study, we present our work of porting and optimizing the GNAQPMS model on the second generation Intel Xeon Phi processor codename “Knights Landing” (KNL). Compared with the first generation Xeon Phi coprocessor, KNL introduced many new hardware features such as a boo...

Life Cycle Inventory (LCI) Data-Treatment Chemicals, Construction Materials, Transportation, On-site Equipment, and other Processes for Use in Spreadsheets for Environmental Footprint Analysis (SEFA): Revised Addition

Science.gov (United States)

This report estimates environmental emission factors (EmF) for key chemicals, construction and treatment materials, transportation/on-site equipment, and other processes used at remediation sites. The basis for chemical, construction, and treatment material EmFs is life cycle inv...

Coupled Transport Phenomena in the Opalinus Clay: Implications for Radionuclide Transport

International Nuclear Information System (INIS)

Soler, J.M.

1999-09-01

Coupled phenomena (thermal and chemical osmosis, hyperfiltration, coupled diffusion, thermal diffusion, thermal filtration, Dufour effect) may play an important role in fluid, solute and heat transport in clay-rich formations, such as the Opalinus Clay (OPA), which are being considered as potential hosts for radioactive waste repositories. In this study, the potential effects of coupled phenomena on radionuclide transport in the vicinity of a repository for vitrified high-level radioactive waste (HLW) and spent nuclear fuel (SF) hosted by the Opalinus Clay, at times equal to or greater than the expected lifetime of the waste canisters (about 1000 years), have been addressed. Firstly, estimates of the solute fluxes associated with chemical osmosis, hyperfiltration, thermal diffusion and thermal osmosis have been calculated. Available experimental data concerning coupled transport phenomena in compacted clays, and the hydrogeological and geochemical conditions to which the Opalinus Clay is subject, have been used for these estimates. These estimates suggest that thermal osmosis is the only coupled transport mechanism that could have a strong impact on solute and fluid transport in the vicinity of the repository. Secondly, estimates of the heat fluxes associated with thermal filtration and the Dufour effect in the vicinity of the repository have been calculated. The calculated heat fluxes are absolutely negligible compared to the heat flux caused by thermal conduction. As a further step to obtain additional insight into the effects of coupled phenomena on solute transport, the solute fluxes associated with advection, chemical diffusion, thermal and chemical osmosis, hyperfiltration and thermal diffusion have been incorporated into a simple one-dimensional transport equation. The analytical solution of this equation, with appropriate parameters, shows again that thermal osmosis is the only coupled transport mechanism that could have a strong effect on repository

Coupled Transport Phenomena in the Opalinus Clay: Implications for Radionuclide Transport

Energy Technology Data Exchange (ETDEWEB)

Soler, J.M.

1999-09-01

Coupled phenomena (thermal and chemical osmosis, hyperfiltration, coupled diffusion, thermal diffusion, thermal filtration, Dufour effect) may play an important role in fluid, solute and heat transport in clay-rich formations, such as the Opalinus Clay (OPA), which are being considered as potential hosts for radioactive waste repositories. In this study, the potential effects of coupled phenomena on radionuclide transport in the vicinity of a repository for vitrified high-level radioactive waste (HLW) and spent nuclear fuel (SF) hosted by the Opalinus Clay, at times equal to or greater than the expected lifetime of the waste canisters (about 1000 years), have been addressed. Firstly, estimates of the solute fluxes associated with chemical osmosis, hyperfiltration, thermal diffusion and thermal osmosis have been calculated. Available experimental data concerning coupled transport phenomena in compacted clays, and the hydrogeological and geochemical conditions to which the Opalinus Clay is subject, have been used for these estimates. These estimates suggest that thermal osmosis is the only coupled transport mechanism that could have a strong impact on solute and fluid transport in the vicinity of the repository. Secondly, estimates of the heat fluxes associated with thermal filtration and the Dufour effect in the vicinity of the repository have been calculated. The calculated heat fluxes are absolutely negligible compared to the heat flux caused by thermal conduction. As a further step to obtain additional insight into the effects of coupled phenomena on solute transport, the solute fluxes associated with advection, chemical diffusion, thermal and chemical osmosis, hyperfiltration and thermal diffusion have been incorporated into a simple one-dimensional transport equation. The analytical solution of this equation, with appropriate parameters, shows again that thermal osmosis is the only coupled transport mechanism that could have a strong effect on repository

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

Energy Technology Data Exchange (ETDEWEB)

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

1997-11-01

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

Dissolved black carbon in the global cryosphere: Concentrations and chemical signatures

Science.gov (United States)

Khan, Alia L.; Wagner, Sasha; Jaffe, Rudolf; Xian, Peng; Williams, Mark; Armstrong, Richard; McKnight, Diane

2017-06-01

snow or ice surface, as well as the combustion conditions under which the DBC was formed. We show that samples from the Greenland Ice Sheet (GRIS) have a distinct molecular chemical signature, consistent with deposition of BC from Canadian wildfires occurring the week before sampling. The concentration range observed in this global cryosphere study indicates significant amounts of DBC persist in both pristine and human-impacted snow and glacial meltwater. Our results are significant for understanding the controls on meltwater production from glaciers worldwide and the feedbacks between combustion sources, wildfires, and the global cryosphere. Wildfires are predicted to increase due to climate change, and albedo cannibalism is already influencing meltwater generation on the GRIS. Anticipated longer summer melt seasons as a result of climate change may result in longer durations between snowfalls, enhancing exposure of recalcitrant DBC on snow/ice surfaces, which could further exacerbate surface albedo reduction in the cryosphere.

A guide to the coupled chemical equilibria and migration code CHEQMATE

International Nuclear Information System (INIS)

Haworth, A.; Sharland, S.M.; Tasker, P.W.; Tweed, C.J.

1988-02-01

The CHEQMATE (CHemical EQuilibrium with Migration and Transport Equations) program has been developed to model the evolution of spatially inhomogeneous aqueous chemical systems. CHEQMATE models one-dimensional diffusion and electromigration of ionic species with chemical equilibration provided by the geochemical code PHREEQE. The transport and chemical parts of the CHEQMATE code are iteratively coupled, so that local chemical equilibrium is maintained as the transport processes evolve. CHEQMATE is very flexible and can easily be applied to many different evolving chemical systems. It has principally been used to study the evolution of the chemical environment in and around a nuclear waste repository. (author)

The role of moisture transport between ground and atmosphere in global change

International Nuclear Information System (INIS)

Rind, D.; Rosenzweig, C.; Stieglitz, M.

1997-01-01

Projections of the effect of climate change on future water availability are examined by reviewing the formulations used to calculate moisture transport between the ground and the atmosphere. General circulation models and climate change impact models have substantially different formulations for evapotranspiration, so their projections of future water availability often disagree, even though they use the same temperature and precipitation forecasts. General circulation models forecast little change in tropical and subtropical water availability, while impact models show severe water and agricultural shortages. A comparison of observations and modeling techniques shows that the parameterizations in general circulation models likely lead to an underestimate of the impacts of global warming on soil moisture and vegetation. Such errors would crucially affect the temperature and precipitation forecasts used in impact models. Some impact model evaporation formulations are probably more appropriate than those in general circulation models, but important questions remain. More observations are needed, especially in the vicinity of forests, to determine appropriate parameterizations

The Fire INventory from NCAR (FINN: a high resolution global model to estimate the emissions from open burning

Directory of Open Access Journals (Sweden)

C. Wiedinmyer

2011-07-01

Full Text Available The Fire INventory from NCAR version 1.0 (FINNv1 provides daily, 1 km resolution, global estimates of the trace gas and particle emissions from open burning of biomass, which includes wildfire, agricultural fires, and prescribed burning and does not include biofuel use and trash burning. Emission factors used in the calculations have been updated with recent data, particularly for the non-methane organic compounds (NMOC. The resulting global annual NMOC emission estimates are as much as a factor of 5 greater than some prior estimates. Chemical speciation profiles, necessary to allocate the total NMOC emission estimates to lumped species for use by chemical transport models, are provided for three widely used chemical mechanisms: SAPRC99, GEOS-CHEM, and MOZART-4. Using these profiles, FINNv1 also provides global estimates of key organic compounds, including formaldehyde and methanol. Uncertainties in the emissions estimates arise from several of the method steps. The use of fire hot spots, assumed area burned, land cover maps, biomass consumption estimates, and emission factors all introduce error into the model estimates. The uncertainty in the FINNv1 emission estimates are about a factor of two; but, the global estimates agree reasonably well with other global inventories of biomass burning emissions for CO, CO₂, and other species with less variable emission factors. FINNv1 emission estimates have been developed specifically for modeling atmospheric chemistry and air quality in a consistent framework at scales from local to global. The product is unique because of the high temporal and spatial resolution, global coverage, and the number of species estimated. FINNv1 can be used for both hindcast and forecast or near-real time model applications and the results are being critically evaluated with models and observations whenever possible.

Review of chemical and electrokinetic remediation of PCBs contaminated soils and sediments.

Science.gov (United States)

Fan, Guangping; Wang, Yu; Fang, Guodong; Zhu, Xiangdong; Zhou, Dongmei

2016-09-14

Polychlorinated biphenyls (PCBs) are manmade organic compounds, and pollution due to PCBs has been a global environmental problem because of their persistence, long-range atmospheric transport and bioaccumulation. Many physical, chemical and biological technologies have been utilized to remediate PCBs contaminated soils and sediments, and there are some emerging new technologies and combined methods that may provide cost-effective alternatives to the existing remediation practice. This review provides a general overview on the recent developments in chemical treatment and electrokinetic remediation (EK) technologies related to PCBs remediation. In particular, four technologies including photocatalytic degradation of PCBs combined with soil washing, Fe-based reductive dechlorination, advanced oxidation process, and EK/integrated EK technology (e.g., EK coupled with chemical oxidation, nanotechnology and bioremediation) are reviewed in detail. We focus on the fundamental principles and governing factors of chemical technologies, and EK/integrated EK technologies. Comparative analysis of these technologies including their major advantages and disadvantages is summarized. The existing problems and future prospects of these technologies regarding PCBs remediation are further highlighted.

Reactive transport models and simulation with ALLIANCES

International Nuclear Information System (INIS)

Leterrier, N.; Deville, E.; Bary, B.; Trotignon, L.; Hedde, T.; Cochepin, B.; Stora, E.

2009-01-01

Many chemical processes influence the evolution of nuclear waste storage. As a result, simulations based only upon transport and hydraulic processes fail to describe adequately some industrial scenarios. We need to take into account complex chemical models (mass action laws, kinetics...) which are highly non-linear. In order to simulate the coupling of these chemical reactions with transport, we use a classical Sequential Iterative Approach (SIA), with a fixed point algorithm, within the mainframe of the ALLIANCES platform. This approach allows us to use the various transport and chemical modules available in ALLIANCES, via an operator-splitting method based upon the structure of the chemical system. We present five different applications of reactive transport simulations in the context of nuclear waste storage: 1. A 2D simulation of the lixiviation by rain water of an underground polluted zone high in uranium oxide; 2. The degradation of the steel envelope of a package in contact with clay. Corrosion of the steel creates corrosion products and the altered package becomes a porous medium. We follow the degradation front through kinetic reactions and the coupling with transport; 3. The degradation of a cement-based material by the injection of an aqueous solution of zinc and sulphate ions. In addition to the reactive transport coupling, we take into account in this case the hydraulic retroaction of the porosity variation on the Darcy velocity; 4. The decalcification of a concrete beam in an underground storage structure. In this case, in addition to the reactive transport simulation, we take into account the interaction between chemical degradation and the mechanical forces (cracks...), and the retroactive influence on the structure changes on transport; 5. The degradation of the steel envelope of a package in contact with a clay material under a temperature gradient. In this case the reactive transport simulation is entirely directed by the temperature changes and

A Survey of the Role of Thermodynamics and Transport Properties in Chemical Engineering University Education in Europe and the USA

Science.gov (United States)

Ahlstrom, Peter; Aim, Karel; Dohrn, Ralf; Elliott, J. Richard; Jackson, George; Jaubert, Jean-Noel; Macedo, Eugenia A.; Pokki, Juha-Pekka; Reczey, Kati; Victorov, Alexey; Zilnik, Ljudmila Fele; Economou, Ioannis G.

2010-01-01

A survey on the teaching of thermodynamics and transport phenomena in chemical engineering curricula in European and US Universities was performed and results are presented here. Overall, 136 universities and colleges responded to the survey, out of which 81 from Europe and 55 from the USA. In most of the institutions responding at least two…

Re-assessing Present Day Global Mass Transport and Glacial Isostatic Adjustment From a Data Driven Approach

Science.gov (United States)

Wu, X.; Jiang, Y.; Simonsen, S.; van den Broeke, M. R.; Ligtenberg, S.; Kuipers Munneke, P.; van der Wal, W.; Vermeersen, B. L. A.

2017-12-01

Determining present-day mass transport (PDMT) is complicated by the fact that most observations contain signals from both present day ice melting and Glacial Isostatic Adjustment (GIA). Despite decades of progress in geodynamic modeling and new observations, significant uncertainties remain in both. The key to separate present-day ice mass change and signals from GIA is to include data of different physical characteristics. We designed an approach to separate PDMT and GIA signatures by estimating them simultaneously using globally distributed interdisciplinary data with distinct physical information and a dynamically constructed a priori GIA model. We conducted a high-resolution global reappraisal of present-day ice mass balance with focus on Earth's polar regions and its contribution to global sea-level rise using a combination of ICESat, GRACE gravity, surface geodetic velocity data, and an ocean bottom pressure model. Adding ice altimetry supplies critically needed dual data types over the interiors of ice covered regions to enhance separation of PDMT and GIA signatures, and achieve half an order of magnitude expected higher accuracies for GIA and consequently ice mass balance estimates. The global data based approach can adequately address issues of PDMT and GIA induced geocenter motion and long-wavelength signatures important for large areas such as Antarctica and global mean sea level. In conjunction with the dense altimetry data, we solved for PDMT coefficients up to degree and order 180 by using a higher-resolution GRACE data set, and a high-resolution a priori PDMT model that includes detailed geographic boundaries. The high-resolution approach solves the problem of multiple resolutions in various data types, greatly reduces aliased errors from a low-degree truncation, and at the same time, enhances separation of signatures from adjacent regions such as Greenland and Canadian Arctic territories.

Polycyclic aromatic hydrocarbons in soils of the central Tibetan Plateau, China: Distribution, sources, transport and contribution in global cycling

International Nuclear Information System (INIS)

Yuan, Guo-Li; Wu, Li-Juan; Sun, Yong; Li, Jun; Li, Jing-Chao; Wang, Gen-Hou

2015-01-01

Forty-four soil samples were collected across the central Tibetan Plateau (CTP) at altitudes between 3711 m and 5352 m, and their polycyclic aromatic hydrocarbons (PAHs) contents were measured to be from 0.43 to 26.66 ng/g. The main sources of PAHs were identified for each of four sub-areas, and their concentrations in soils were determined to be mainly influenced by local sources. Along a 600 km sampling trajectory from Lhasa, which served as the biggest local source, the concentrations of PAHs decreased logarithmically with increasing distances from the source. Meanwhile, the fractional proportions of PAHs were observed to change logarithmically according to the transport distances. Conclusively, PAHs from local sources were transported within the CTP and dominated PAHs concentrations in the soils, but few of them were transported outside the CTP. In global cycling, the soils in the CTP mainly serve as background and a “sink” for PAHs. - Highlights: • Main sources of PAHs were identified for each of four sub-areas in CTP. • Local sources dominated PAHs in soils but rarely transported outside CTP. • The PAHs in soils changed logarithmically according to the distances from source. • It is first revealed how the local PAH sources influenced PAHs in the soils of CTP. - Local sources dominated PAHs concentrations in the soils of CTP but rarely transported outside, and PAHs in soils changed logarithmically according to the transported distances

Global contamination trends of persistent organic chemicals

National Research Council Canada - National Science Library

Loganathan, Bommanna G; Lam, Paul K. S

2012-01-01

"Composed by a diverse group of experts, this reference covers the history, present status, and projected future trends of environmental contamination from highly toxic synthetic chemical pollutants...

Aerosol Size and Chemical Composition in the Canadian High Arctic

Science.gov (United States)

Chang, R. Y. W.; Hayes, P. L.; Leaitch, W. R.; Croft, B.; O'Neill, N. T.; Fogal, P.; Drummond, J. R.; Sloan, J. J.

2015-12-01

Arctic aerosol have a strong annual cycle, with winter months dominated by long range transport from lower latitudes resulting in high mass loadings. Conversely, local emissions are more prominent in the summer months because of the decreased influence of transported aerosol, allowing us to regularly observe both transported and local aerosol. This study will present observations of aerosol chemical composition and particle number size distribution collected at the Polar Environment Artic Research Laboratory and the Alert Global Atmospheric Watch Observatory at Eureka (80N, 86W) and Alert (82N, 62W), Nunavut, respectively. Summer time observations of the number size distribution reveal a persistent mode of particles centered between 30-50 nm, with occasional bursts of smaller particles. The non-refractory aerosol chemical composition, measured by the Canadian Network for the Detection of Atmospheric Change quadrupole aerosol mass spectrometer, is primarily organic, with contributions from both aged and fresher organic aerosol. Factor analysis will be conducted to better understand these sources. The site at Eureka is more susceptible to long range transport since it is at the top of a mountain ridge (610 m above sea level) and will be compared to the site at Alert on an elevated plain (200 m above sea level). This will allow us to determine the relative contributions from processes and sources at the sites at different elevations. Comparisons with aerosol optical depth and GEOS-Chem model output will also be presented to put these surface measurements into context with the overlying and regional atmosphere. Results from this study contribute to our knowledge of aerosol in the high Arctic.

Global Journal of Engineering Research

African Journals Online (AJOL)

The Global Journal of Engineering Research is aimed at promoting research in all areas of Engineering Research including Mechanical, Civil, Electrical, Chemical, Electronics, Geological etc. Visit the Global Journal Series website here: http://www.globaljournalseries.com/ ...

Modelling the Global Transportation Systems for the Hydrogen Economy

Energy Technology Data Exchange (ETDEWEB)

Krzyzanowski, D.A.; Kypreos, S.

2004-03-01

A modelling analysis of the transportation system is described, focused on the market penetration of different transportation technologies (including Learning-by-Doing) until the year 2050. A general outline of the work and first preliminary results are presented. (author)

Effects of airplane emissions on the composition of the atmosphere: Investigations using a mesoscale chemical transport model; Der Einfluss von Flugzeugabgasen auf die Zusammensetzung der Atmosphaere: Untersuchungen mit einem mesoskaligen Chemie-Transport-Modell

Energy Technology Data Exchange (ETDEWEB)

Lippert, E

1997-12-31

In the present work the impact of aircraft emissions on the atmospheric composition is studied using a mesoscale chemistry transport model. To simulate the impact of aircraft exhausts several modifications on the EURAD model system have been performed. The upper boundary of the model has been extended from 100 hPa up to 10 hPa. The vertical resolution of the model has been refined especially in tropopause altitudes extending the number of model layers from 15 to 29. Additionally the initialization and the treatment of the boundary conditions has been improved by coupling the trace gas concentration fields with the individual meteorological situation. To guarantee an adequate representation of the atmospheric chemistry the chemical mechanism CHEST has been developed and implemented into the chemistry transport model. CHEST treats the most important chemical processes of the troposphere and lower stratosphere. In the frame of the present work sensitivity studies with a box model and with the threedimensional chemistry transport model have been performed to investigate the impact of aircraft emissions upon the atmosphere. (KW) [Deutsch] In der vorliegenden Arbeit werden die Auswirkungen der Flugzeugemissionen auf die Zusammensetzung der Atmosphaere mit Hilfe eines mesoskaligen Chemie-Transport-Modells untersucht. Zur Simulation der Ausbreitung der Flugzeugabgase wurden am EURAD-Modell-System umfangreiche Veraenderungen vorgenommen. Der obere Modellrand des Chemie-Transport-Modells ist von 100 hPa auf 10 hPa erhoeht worden. Die vertikale Aufloesung des Modells wurde insbesondere im Tropopausenbereich durch eine Erhoehung der Gesamtzahl der Modellschichten von 15 auf 29 wesentlich verfeinert. Ausserdem ist die Initialisierung der Spurenstoffverteilung im Modell an die Dynamik gekoppelt worden. Dem Chemie-Transport-Modell stehen damit an die jeweilige meteorologische Situation angepasste Konzentrationsfelder zur Initialisierung und zur Behandlung der Fluesse durch den

Effects of airplane emissions on the composition of the atmosphere: Investigations using a mesoscale chemical transport model; Der Einfluss von Flugzeugabgasen auf die Zusammensetzung der Atmosphaere: Untersuchungen mit einem mesoskaligen Chemie-Transport-Modell

Energy Technology Data Exchange (ETDEWEB)

Lippert, E.

1996-12-31

In the present work the impact of aircraft emissions on the atmospheric composition is studied using a mesoscale chemistry transport model. To simulate the impact of aircraft exhausts several modifications on the EURAD model system have been performed. The upper boundary of the model has been extended from 100 hPa up to 10 hPa. The vertical resolution of the model has been refined especially in tropopause altitudes extending the number of model layers from 15 to 29. Additionally the initialization and the treatment of the boundary conditions has been improved by coupling the trace gas concentration fields with the individual meteorological situation. To guarantee an adequate representation of the atmospheric chemistry the chemical mechanism CHEST has been developed and implemented into the chemistry transport model. CHEST treats the most important chemical processes of the troposphere and lower stratosphere. In the frame of the present work sensitivity studies with a box model and with the threedimensional chemistry transport model have been performed to investigate the impact of aircraft emissions upon the atmosphere. (KW) [Deutsch] In der vorliegenden Arbeit werden die Auswirkungen der Flugzeugemissionen auf die Zusammensetzung der Atmosphaere mit Hilfe eines mesoskaligen Chemie-Transport-Modells untersucht. Zur Simulation der Ausbreitung der Flugzeugabgase wurden am EURAD-Modell-System umfangreiche Veraenderungen vorgenommen. Der obere Modellrand des Chemie-Transport-Modells ist von 100 hPa auf 10 hPa erhoeht worden. Die vertikale Aufloesung des Modells wurde insbesondere im Tropopausenbereich durch eine Erhoehung der Gesamtzahl der Modellschichten von 15 auf 29 wesentlich verfeinert. Ausserdem ist die Initialisierung der Spurenstoffverteilung im Modell an die Dynamik gekoppelt worden. Dem Chemie-Transport-Modell stehen damit an die jeweilige meteorologische Situation angepasste Konzentrationsfelder zur Initialisierung und zur Behandlung der Fluesse durch den

Life Cycle Assessment of Road Vehicles for Private and Public Transportation

OpenAIRE

Sundvor, Christian Fredric

2013-01-01

Ever increasing prosperity and global civilization heralds an increasing demand for communication and transport. The transport sector alone accounts for one quarter of global human greenhouse gas emissions. In the transport sector, road transport alone is responsible for 70%. To help mitigate these emissions, people are advised to take advantage of public transportation systems, on the argument that public transit is more environmentally friendly than private transport. To assess the environm...

Estimating chemical footprint: Contamination with mercury and its compounds

DEFF Research Database (Denmark)

Tarasova, Natalia; Makarova, Anna; Fantke, Peter

2018-01-01

-SETAC scientific consensus model USEtox, which is recommended for and widely applied in life cycle impact assessment. Our approach was tested using the example of mercury, which has been shown to be a hazardous pollutant at regional and global scales. Results show that the main contribution to the overall chemical......Chemical pollution is a problem of global importance. However, there are currently no agreed approaches for integrated environmental impact assessment (EIA) of chemical effects at global scale. We present a new systems-based approach to EIA of chemicals. Our methodology considers propagation...... of chemical pollutants in the environment, in conjunction with the approach followed in the Russian regulatory system. To estimate chemical footprints related to environmental contamination by potentially toxic substances, measured environmental concentrations were combined with results from the UNEP...

Computing Equilibrium Chemical Compositions

Science.gov (United States)

Mcbride, Bonnie J.; Gordon, Sanford

1995-01-01

Chemical Equilibrium With Transport Properties, 1993 (CET93) computer program provides data on chemical-equilibrium compositions. Aids calculation of thermodynamic properties of chemical systems. Information essential in design and analysis of such equipment as compressors, turbines, nozzles, engines, shock tubes, heat exchangers, and chemical-processing equipment. CET93/PC is version of CET93 specifically designed to run within 640K memory limit of MS-DOS operating system. CET93/PC written in FORTRAN.

Lunar evolution: is there a global radioactive crust on the moon

International Nuclear Information System (INIS)

Murthy, V.R.

1977-01-01

Chemical and isotopic analyses of various grainsize fractions of lunar soils show the presence of an 'exotic component' in practically all lunar soils. The patterns of enrichments in the grain-size fractions and the Sr-isotopic data show that the regolith evolution displays the combined effects of comminution of local rock types and addition of the exotic component. The chemical characteristics of this exotic component as deduced from the chemical and isotopic data in soils from Apollo 11, 12, 15 and 16 uniformly point to compositions similar to the material from Fra Mauro region collected in the Apollo 14 mission. There is a strong correlation between the amount of exotic component in a soil and its distance from the Fra Mauro region. It is suggested that the exotic component represents trace element enriched material from the Imbrium-Procellarum region, which was surficially deposited during Imbrium excavation and re-exposed from under the mare-lavas in subsequent cratering events. Surficial transport processes have distributed these materials widely over the lunar surface. There appears no need to invoke a global radioactive crust on the Moon nor of 'hot spots' distributed over the entire surface of the Moon to explain the ubiquitous presence of this component in lunar regolith, nor is there a compelling reason at present to postulate a global melting process for the generation of highly differentiated materials such as 'kreep' and the exotic component. (author)

Review on modeling development for multiscale chemical reactions coupled transport phenomena in solid oxide fuel cells

International Nuclear Information System (INIS)

Andersson, Martin; Yuan, Jinliang; Sunden, Bengt

2010-01-01

A literature study is performed to compile the state-of-the-art, as well as future potential, in SOFC modeling. Principles behind various transport processes such as mass, heat, momentum and charge as well as for electrochemical and internal reforming reactions are described. A deeper investigation is made to find out potentials and challenges using a multiscale approach to model solid oxide fuel cells (SOFCs) and combine the accuracy at microscale with the calculation speed at macroscale to design SOFCs, based on a clear understanding of transport phenomena, chemical reactions and functional requirements. Suitable methods are studied to model SOFCs covering various length scales. Coupling methods between different approaches and length scales by multiscale models are outlined. Multiscale modeling increases the understanding for detailed transport phenomena, and can be used to make a correct decision on the specific design and control of operating conditions. It is expected that the development and production costs will be decreased and the energy efficiency be increased (reducing running cost) as the understanding of complex physical phenomena increases. It is concluded that the connection between numerical modeling and experiments is too rare and also that material parameters in most cases are valid only for standard materials and not for the actual SOFC component microstructures.

renewables 2011 - Global status report

International Nuclear Information System (INIS)

Sawin, Janet L.; Martinot, Eric; Barnes, Douglas; Martinot, Eric; McCrone, Angus; Roussell, Jodie; Sawin, Janet L.; Sims, Ralph; Sonntag-O'Brien, Virginia; Adib, Rana; Skeen, Jonathan; Musolino, Evan; Riahi, Lily; Mastny, Lisa

2011-01-01