Shared- and distributed-memory parallelization of a Lagrangian atmospheric dispersion model

This paper describes parallelization of a 3-D Lagrangian stochastic atmospheric dispersion model using both distributed- and shared-memory methods. Shared-memory parallelism is implemented through the use of OpenMP compiler directives. Distributed-memory parallelism relies on the MPI message-passing library. One or both (using MPI for inter-node and OpenMP for intra-node communication) of the parallel modes can be used depending upon the requirements of the problem and the computational platform available. The distributed-memory version achieves a nearly linear decrease in execution time as the number of processors is increased. As the number of particles per processor is lowered, performance is limited by the decrease in work per processor and by the need to produce one set of output files. The shared-memory version achieves a speedup factor of ∼1.4 running on machines with four processors.     

An incinerator air quality impact assessment for metals, PAH, dioxins and furans by using the MM5-CMAQ-EMIMO atmospheric modelling system: Spain case study

In this paper, we show the implementation of a modified version of MM5-CMAQ for carrying out an air quality impact analysis for installing an incinerator in the Basque Country model domain (Spain). The modified CMAQ model (EPA USA, 2004) includes Poly-Chlorinated Dibenzop-Dioxins and Dibenzo-Furans (dioxins and furans). This model represents their congeners as divided between gaseous and aerosol forms that exchange mass based on theoretical coefficients for gas to particle portioning. The emission model EMIMO – developed by UPM – has been adapted to incorporate the three metals and the benzo(a)pyrene according to the EMEP annual emission inventory. In addition, the PCDD/F EMEP emission inventory has been incorporated into the EMIMO model to produce proper 1 hr and 1 km × 1 km emission PCDD/F estimation. The emissions of the projected incinerator are incorporated by using the chimney technical parameters and the limit emission values (worst-case scenario) prescribed in the Directive/2000/76/CE.     

The long range transport of ozone within Europe and its control

It is widely accepted that the ozone concentrations experienced during photochemical episodes over large areas of Europe may exceed levels at which adverse environmental effects could be expected. These peak ozone concentrations can be reduced by controlling atmospheric emissions of the hydrocarbon and nitrogen oxide precursors. For ozone control to be successful over the spatial scale of Europe, long term international cooperation is required in the formulation of emission abatement strategies. A significant barrier to rapid progress has been the complexity of the processes that describe ozone formation. Highly sophisticated computer models of chemistry and transport have, up to now, been the only means to study the impact of abatement strategies. An alternative approach has been adopted here involving the development of a simplified long range transport model for ozone based on the analysis of over 60 experimental runs of a photochemical trajectory model applied to a wide range of hydrocarbon-nitrogen oxide emission combinations. Using the ozone-precursor relationship obtained, it has been possible to examine various policy options in the European context. Although taken together, three illustrative emission control scenarios reduce NO(x) and hydrocarbon emissions substantially through controls on motor vehicle exhaust, large combustion plant and solvent usage, a significant potential for photochemical ozone formation and long range transport may still remain after their implementation. The extents of precursor emission abatement that will be required, if the potential for ozone formation is to be reduced below published air quality criteria guidelines or critical levels, have been determined for each European country. The implied reductions in NO(x) and hydrocarbons relative to current levels amount to between 50 and 90%.     

Process analysis of ozone formation under different weather conditions over the Kanto region of Japan using the MM5/CMAQ modelling system

We have assessed the contributions of individual physical and chemical atmospheric processes on ozone formation under different weather conditions during a typical summer month (August 2005) using the MM5/CMAQ modelling system. We found that the ozone episodes in the Kanto region are dominated by three major patterns, of which Patterns I and II are regular summertime pressure patterns with a 26% and 16% frequency of occurrence, respectively. A process analysis at two typical sites in the Kanto region – one located in the central region of Tokyo and the other located in the rural areas of Kanto – indicates that ozone formation is mainly controlled by advection, vertical diffusion, dry deposition, and chemical processes. The ground-level ozone concentrations are enhanced mainly by the vertical mixing of ozone-rich air from aloft, whereas the dry deposition and chemical processes mainly deplete ozone. By investigating the effects of each process under different weather conditions, we found that the significant decrease in ozone removal due to the chemical and advection processes under conditions of high stagnation is the most important cause of the enhanced levels of ozone in the central region of Tokyo. The results of this study can contribute to a better understanding of ozone formation in the Kanto region, and they may be valuable for local policy makers for further development planning.     

Modelling long-range transport of primary particulate material over Europe

This paper uses a simple model of atmospheric transport and an emissions inventory prepared by TNO to estimate the contribution of primary particulate material to PM₁₀ and PM_2.5 concentration across Europe. The resulting population exposure is compared with that of secondary particulates, and it is noted that both primary and secondary contributions will be significantly reduced with the implementation of new protocols under the Convention on Long-Range Transboundary Air Pollution (CLRTAP). Since concentrations of primary PM₁₀ can become elevated in episodic situations, when long-range transport of particulate could, on its own, exceed 24 h average targets of 50 μg m⁻³ over large areas of Europe, such reduction is important for achievement of current air quality standards to control exposure to atmospheric particulate PM₁₀.     

Climatology of diurnal trends and vertical distribution of ozone in the atmospheric boundary layer in urban North Carolina

Vertical measurements of ozone were made on a 610-m-tall tower located about 15 km southeast of Raleigh, NC, as part of an effort by the state of North Carolina to develop a state implementation plan (SIP) for ozone control in the Raleigh Metropolitan Statistical Area. During summer 1993, 1994, and 1995, ozone was monitored at ground level, 250 m, and 433 m. Boundary layer wind, temperature, and other meteorological variable profiles were determined from balloon soundings. During summer 1996 and 1997, ozone was monitored at ground level, 76 m, 128 m, and 433 m. This paper presents the analysis and discussion of the five-year data. The evolutions of the convective boundary layer during daytime and the stable nocturnal boundary layer (NBL) were found to have marked impacts on ozone concentrations. A strong diurnal pattern, with an afternoon maximum and an early morning minimum, was dominant at ground level, but it was much weaker at elevated levels and insignificant above the NBL at night. Ozone deposition velocities at night during the measurement periods were estimated to range from 0.09 to 0.64 cm/sec. We found evidence of regional transport of ozone and/or its precursors from northwest and north of the site, which may play a role in high ozone events in the Raleigh-Durham area. Ozone concentrations between the various elevated levels were well correlated, while correlations between the ground and upper levels were much weaker. However, a strong correlation was found between the nighttime and early morning ozone concentrations (CR) in the residual layer above the NBL and the maximum ground level concentration (Co max) the following afternoon. Based on this correlation, the latter may be predicted by an observational model Co max = 27.76e 0.016 CR.     

Variably saturated flow and multicomponent biogeochemical reactive transport modeling of a uranium bioremediation field experiment

Three-dimensional, coupled variably saturated flow and biogeochemical reactive transport modeling of a 2008 in situ uranium bioremediation field experiment is used to better understand the interplay of transport and biogeochemical reactions controlling uranium behavior under pulsed acetate amendment, seasonal water table variation, spatially variable physical (hydraulic conductivity, porosity) and geochemical (reactive surface area) material properties. While the simulation of the 2008 Big Rusty acetate biostimulation field experiment in Rifle, Colorado was generally consistent with behaviors identified in previous field experiments at the Rifle IFRC site, the additional process and property detail provided several new insights. A principal conclusion from this work is that uranium bioreduction is most effective when acetate, in excess of the sulfate-reducing bacteria demand, is available to the metal-reducing bacteria. The inclusion of an initially small population of slow growing sulfate-reducing bacteria identified in proteomic analyses led to an additional source of Fe(II) from the dissolution of Fe(III) minerals promoted by biogenic sulfide. The falling water table during the experiment significantly reduced the saturated thickness of the aquifer and resulted in reactants and products, as well as unmitigated uranium, in the newly unsaturated vadose zone. High permeability sandy gravel structures resulted in locally high flow rates in the vicinity of injection wells that increased acetate dilution. In downgradient locations, these structures created preferential flow paths for acetate delivery that enhanced local zones of TEAP reactivity and subsidiary reactions. Conversely, smaller transport rates associated with the lower permeability lithofacies (e.g., fine) and vadose zone were shown to limit acetate access and reaction. Once accessed by acetate, however, these same zones limited subsequent acetate dilution and provided longer residence times that resulted in higher concentrations of TEAP reaction products when terminal electron donors and acceptors were not limiting. Finally, facies-based porosity and reactive surface area variations were shown to affect aqueous uranium concentration distributions with localized effects of the fine lithofacies having the largest impact on U(VI) surface complexation. The ability to model the comprehensive biogeochemical reaction network, and spatially and temporally variable processes, properties, and conditions controlling uranium behavior during engineered bioremediation in the naturally complex Rifle IFRC subsurface system required a subsurface simulator that could use the large memory and computational performance of a massively parallel computer. In this case, the eSTOMP simulator, operating on 128 processor cores for 12h, was used to simulate the 110-day field experiment and 50 days of post-biostimulation behavior.     

Simulation of carrier-facilitated transport of phenanthrene in a layered soil profile

The appropriate prediction of the fate of the contaminant is an essential step when evaluating the risk of severe groundwater pollutions-in particular in the context of natural attenuation. We numerically study the reactive transport of phenanthrene at the field scale in a multilayer soil profile based on experimental data. The effect of carrier facilitation by dissolved organic carbon is emphasized and incorporated in the model. Previously published simulations are restricted to the saturated zone and/or to homogeneous soil columns at the laboratory scale. A numerical flow and transport model is extended and applied to understand and quantify the relevant processes in the case of a strongly sorbing hydrophobic organic compound that is subject to carrier facilitation in the unsaturated zone. The contaminant migration is investigated on long- and short-term time scales and compared to predictions without carrier facilitation. The simulations demonstrate the importance of carrier facilitation and suggest strongly to take this aspect into account. By carrier facilitation breakthrough times at the groundwater level decreased from 500 to approximately 8 years and concentration peaks increased by two orders of magnitude in the long-term simulation assuming a temporary spill in an initially unpolluted soil with a non-sorbing carrier.     

Large emissions of sesquiterpenes and methyl chavicol quantified from branch enclosure measurements

Multiple field studies have suggested chemistry within a forest canopy is poorly understood due to inadequate detection and quantification of reactive biogenic emissions, such as terpenes. To measure emission rates of terpenes at Blodgett Forest, a coniferous forest in the Sierra Nevada mountains of California, we placed enclosures over branches of the dominant species at the site – Ponderosa pine, manzanita, and ceanothus – in the summer of 2005. Zero air, with ambient CO₂ concentrations, flowed through the chamber system and volatile organic compound (VOC) emission measurements were made by proton transfer reaction mass spectrometry (PTR-MS), solid phase microextraction (SPME) on fibers followed by direct injection into a gas chromatograph with an ion trap mass spectrometer (GC-ITMS), and by in situ GC with a flame ionization detector (GC-FID). We show that previously undetected sesquiterpenes and methyl chavicol significantly contribute to the total reactive biogenic emission profile from this field site.     

Assessing the Impacts of Establishing MPAs on Fishermen and Fish Merchants: The Case of Lyme Bay,UK

Shortly after the implementation of a marine protected area (MPA) in Lyme Bay in 2008, inside which scallop dredging and bottom trawling is prohibited, a socio-economic impact assessment was initiated. This article presents the initial findings from this study. The aim was to understand the costs and benefits to fishermen and fish merchants of establishing the MPA. These were assessed using a combination of primary and secondary data. The results indicate that the impacts of the closure differ according to the gear type and the fishing location used by the fishermen. Static gear fishermen who fish inside the closed area have seen changes in terms of increased fishing effort, mostly because they have been able to increase the number of crab and whelk pots they deploy. The effects of the closure on static gear fishermen who fish outside the closed area has been reported in terms of increased conflicts with towed gear fishermen who now fish regularly in their traditional grounds. Fishermen using towed gear on the other hand have been impacted through displacement effects as they have been forced to look for other fishing grounds outside the closed area. Most fish merchants and processors initially claimed that they were heavily impacted by the closure but when they were interviewed 1 year after the closure they suggested a more stable picture. Preliminary analyses of landings data indicate that the introduction of the MPA has so far had minimal impacts on the average incomes and financial profits of fishermen and fish merchants. This conclusion, however, reflects a short-term view as the impacts of the closure of Lyme Bay are likely to be felt for a long time to come.     

Development of emission factors for polyamide processing

Emission factors for selected volatile organic compounds (VOCs) and particulate material were developed during processing of commercial grades of polyamide 6, polyamide 66, and polyamide 66/6 resins. A small commercial-type extruder was used, and melt temperatures ranged from 475 to 550 degrees F. An emission factor was calculated for each substance measured and is reported as pounds released to the atmosphere per million pounds of polymer resin processed. Scaled to production volumes, these emission factors can be used by processors to estimate emission quantities from similar polyamide extrusion operations.     

Development of emission factors for polycarbonate processing

Emission factors for selected volatile organic compounds (VOCs) and particulate emissions were developed while processing eight commercial grades of polycarbonate (PC) and one grade of a PC/acrylonitrile-butadiene-styrene (ABS) blend. A small commercial-type extruder was used, and the extrusion temperature was held constant at 304 degrees C. An emission factor was calculated for each substance measured and is reported as pounds released to the atmosphere/million pounds of polymer resin processed [ppm (wt/wt)]. Scaled to production volumes, these emission factors can be used by processors to estimate emission quantities from similar PC processing operations.     

Influence of indoor transport and mixing time scales on the performance of sensor systems for characterizing contaminant releases

Optimizing real-time sensor systems to detect and identify relevant characteristics of an indoor contaminant event is a challenging task. The interpretation of incoming sensor data is confounded by uncertainties in building operation, in the forces driving contaminant transport, and in the physical parameters governing transport. In addition, simulation tools used by the sensor interpretation algorithm introduce modeling uncertainties. This paper explores how the time scales inherent in contaminant transport influence the information that can be extracted from real-time sensor data. In particular, we identify three time scales (within room mixing, room-to-room transport, and removal from the building) and study how they affect the ability of a Bayesian Monte Carlo (BMC) sensor interpretation algorithm to identify the release location and release mass from a set of experimental data, recorded in a multi-floor building. The research shows that some limitations in the BMC approach do not depend on details of the models or the algorithmic implementation, but rather on the physics of contaminant transport. These inherent constraints have implications for the design of sensor systems.     

Gas phase transport in gravity sewers--A methodology for determination of horizontal gas transport and ventilation.

A method was developed for determination of horizontal gas transport and ventilation in gravity sewers. This was achieved by changing the composition of the sewer atmosphere by pulse injection of oxygen gas and subsequently measuring the oxygen concentration in a downstream manhole. Conventional tracer techniques may require sampling and may also affect the environment. The method developed is simple, based on direct monitoring and without environmental or toxic effects. The method was developed based on measurements in an intercepting gravity sewer. The horizontal gas transport processes were quantified by measuring the velocity and dispersion of the gas in the sewer atmosphere. Based on 54 measurements, the gas velocity was found to vary between 0.05 and 0.22 m/s. The coefficients of dispersion were calculated to be in the range 0.05 to 1.1 m2/s. Climatic conditions did not significantly influence the gas phase transport.     

Development of Emission Factors for Polycarbonate Processing

Abstract

Emission factors for selected volatile organic compounds (VOCs) and particulate emissions were developed while processing eight commercial grades of polycarbonate (PC) and one grade of a PC/acrylonitrile-butadiene-styrene (ABS) blend. A small commercial-type extruder was used, and the extrusion temperature was held constant at 304 °C. An emission factor was calculated for each substance measured and is reported as pounds released to the atmosphere/million pounds of polymer resin processed [ppm (wt/wt)]. Scaled to production volumes, these emission factors can be used by processors to estimate emission quantities from similar PC processing operations.     

Transport impacts on atmosphere and climate: Metrics

The transport sector emits a wide variety of gases and aerosols, with distinctly different characteristics which influence climate directly and indirectly via chemical and physical processes. Tools that allow these emissions to be placed on some kind of common scale in terms of their impact on climate have a number of possible uses such as: in agreements and emission trading schemes; when considering potential trade-offs between changes in emissions resulting from technological or operational developments; and/or for comparing the impact of different environmental impacts of transport activities.Many of the non-CO₂ emissions from the transport sector are short-lived substances, not currently covered by the Kyoto Protocol. There are formidable difficulties in developing metrics and these are particularly acute for such short-lived species. One difficulty concerns the choice of an appropriate structure for the metric (which may depend on, for example, the design of any climate policy it is intended to serve) and the associated value judgements on the appropriate time periods to consider; these choices affect the perception of the relative importance of short- and long-lived species. A second difficulty is the quantification of input parameters (due to underlying uncertainty in atmospheric processes). In addition, for some transport-related emissions, the values of metrics (unlike the gases included in the Kyoto Protocol) depend on where and when the emissions are introduced into the atmosphere – both the regional distribution and, for aircraft, the distribution as a function of altitude, are important.In this assessment of such metrics, we present Global Warming Potentials (GWPs) as these have traditionally been used in the implementation of climate policy. We also present Global Temperature Change Potentials (GTPs) as an alternative metric, as this, or a similar metric may be more appropriate for use in some circumstances. We use radiative forcings and lifetimes from the literature to derive GWPs and GTPs for the main transport-related emissions, and discuss the uncertainties in these estimates. We find large variations in metric (GWP and GTP) values for NO_x, mainly due to the dependence on location of emissions but also because of inter-model differences and differences in experimental design. For aerosols we give only global-mean values due to an inconsistent picture amongst available studies regarding regional dependence. The uncertainty in the presented metric values reflects the current state of understanding; the ranking of the various components with respect to our confidence in the given metric values is also given. While the focus is mostly on metrics for comparing the climate impact of emissions, many of the issues are equally relevant for stratospheric ozone depletion metrics, which are also discussed.     

Development of Emission Factors for Polyamide Processing

ABSTRACT

Emission factors for selected volatile organic compounds (VOCs) and particulate material were developed during processing of commercial grades of polyamide 6, polyamide 66, and polyamide 66/6 resins. A small commercial-type extruder was used, and melt temperatures ranged from 475 to 550 °F. An emission factor was calculated for each substance measured and is reported as pounds released to the atmosphere per million pounds of polymer resin processed. Scaled to production volumes, these emission factors can be used by processors to estimate emission quantities from similar polyamide extrusion operations.     

Fate and contaminant transport model-driven probabilistic human health risk assessment of DNAPL-contaminated site

In this study, fate and contaminant transport model-driven human health risk indexes were calculated due to the presence of dense non-aqueous phase liquids (DNAPLs) in the subsurface environment of air force base area in Florida, USA. Source concentration data of DNAPLs was used for the calculation of transport model-driven health risk indexes for the children and adult sub-population via direct oral ingestion and skin dermal contact exposure scenario using 10,000 Monte Carlo type simulations. The highest variation in the probability distribution of transformed DNAPL compound (cis-dichloroethene (cis-DCE) > vinyl chloride (VC)) was observed as compared to parent DNAPL (tetrachloroethene (PCE)) based on the 50-year simulation timespan. Transformed DNAPL compounds (VC, cis-DCE) posed the highest risk to human health for a longer duration (up to 15 years) in comparison to parent DNAPL (PCE), as non-carcinogenic hazard quotient varied from 400 to 1100. Carcinogenic health risks were observed as 3-order of magnitude higher than safe limit (HQ_Safe < 10⁻⁶) from 2nd to 5th year timespan and fall in the high-risk zone, indicating the need for a remediation plan for a contaminated site. Variance attribution analysis revealed that concentration, body weight, and exposure duration (contribution percentage – 70 to 95%) were the most important parameters, highlighting the impact of dispersivity and exposure model in the estimation of risk indexes. This approach can help decision-makers when a contaminated site with partial data on hydrogeological properties and with higher uncertainty in model parameters is to be assessed for the formulation of remediation measures.

     

Sorption and desorption of diuron on Typic Argiudoll,Oxic Argiudoll and on their clay fractions: environmental aspects

Abstract

The sorption and desorption of diuron by soil samples from Horizons A and B (HA and HB) and by their different clay fractions were investigated, using two soil samples, classified as Typic Argiudoll and Oxic Argiudoll. The sorption and desorption curves were adjusted to the Freundlich model and evaluated by parameters K_f, K_d and K_oc. Based on the data of groundwater ubiquity score (GUS), leachability index (LIX) and hysteresis index (HI), the risk of groundwater pollution was evaluated. The K_d values obtained for soil samples were between 4.5?mL g^?1 (Oxic Argiudoll – HB) and 15.9?mL g^?1 (Typic Argiudoll – HA) and between 1.13 and 14.0?mL g^?1 for the different mineral fractions, whereas the K_oc values varied between 276 (Oxic Argiudoll – HB) and 462 (Typic Argiudoll – HA). According to the parameter GUS, only Oxic Argiudoll – HB presented leaching potential, and based on the LIX index this same soil presented the highest leaching potential. Some samples presented low LIX and GUS values, indicating no leaching potential, but none presented HI results indicative of hysteresis, suggesting weak bonds between diuron and the soil samples and, hence, the risk of groundwater pollution by diuron.