Numerical simulation of air pollution in urban areas: Model development

A three-dimensional, grid-based numerical air pollution model for the estimation of air pollutant concentrations in an urban area is developed. Based on the continuity equation, the modeling system incorporates the combined influences of advective transport, turbulent diffusion, chemical transformation, source emissions and surface removal of air contaminants. Recent developments in plume rise and plume penetration processes, objective wind field analysis procedures and numerical solution techniques incorporated into the model are described.     

A comparison study of three urban air pollution models

The predictions of three urban air pollution models with varying degrees of mathematical and computational complexities are compared against the hourly SO₂ ground-level concentrations observed on 10 winter nights of the RAPS experiment in St. Louis. The emphasis in this study is on the prediction of urban area source concentrations. Statistics for the paired comparison of predictions of each model with the observations are presented. The RAM and the ATDL model with stable diffusion coefficients overestimated the observed night-time concentrations. The results show that the performance of the ATDL model with near-neutral diffusion coefficients is comparable to the more sophisticated 3-D grid numerical model.     

An observation-based model for analyzing ozone precursor relationships in the urban atmosphere

An Observation-Based Model (OBM) is described, which uses in-situ atmospheric observations to determine the sensitivity of ozone concentrations in an urban atmosphere to changes in the emissions of ozone precursors (i.e., volatile organic compounds and nitrogen oxides). The model is formulated following the concept of Relative Incremental Reactivity (RIR) developed by Carter and Atkinson. In the OBM, however, observed concentrations rather than emission inventories are used to drive the photochemical simulations and thereby ensure that the calculations are carried out for the proper mix of nitrogen oxides and volatile organic compounds. From these calculations, a series of sensitivity factors, or RIRs, are inferred that can be used to (1) determine whether reducing emissions of nitrogen oxide or emissions of hydrocarbons would be most effective in abating ozone in a given urban area, and (2) identify the most critical subset of hydrocarbons present in an urban atmosphere causing ozone exceedances. Because the OBM is relatively easy and inexpensive to operate and makes use of data that are increasingly available, it can be used to analyze a wide array of ozone episodes and, thus, could prove to be a relatively cost-effective tool for the analysis of ozone precursor relationships in an urban atmosphere. On the other hand, because the OBM is diagnostic rather than prognostic, it cannot be used in a predictive mode to estimate exactly how much emission reduction is needed to reduce ozone concentrations. For this reason, the OBM should be viewed as a complement to, rather than a substitute for, more sophisticated gridded, emission-based models. To illustrate the characteristics of the OBM and to demonstrate its applicability, we first compare the results of the OBM to those obtained from a series of simulations of the Atlanta metropolitan area using the Urban Airshed Model (UAM), a three-dimensional Eulerian grid model. The OBM is then used to analyze a dataset obtained from the 1990 Atlanta Ozone Study, an EPA field sampling program conducted during the summer of 1990. Because of limitations and potential flaws in the 1990 Atlanta dataset, the results of this OBM analysis are largely illustrative rather than definitive. Nevertheless, a few important issues are elucidated by the analysis. These include (1) the importance of accounting for biogenic hydrocarbons produced from urban vegetation; (2) the potential flaw in using early-morning VOC-to-NOx ratios to infer whether ozone production is limited by VOC or NOx; (3) the critical need for high-sensitivity nitrogen oxide measurements to quantify the sub-ppbv concentrations of NO during the afternoon hours; and (4) the need to consider a number of individual ozone episodes in studying an urban atmosphere because of the possibility that the degree of VOC- and NOx-limitation may vary from one episode to another.     

Flow and dispersion in street intersections

Street intersections play an important role in determining pollutant concentrations in the urban canopy – vehicle emissions often increase in the vicinity of road intersections, and the complex flow patterns that occur within the intersection determine the pollutant fluxes into adjoining streets and into the atmosphere. Operational models for urban air quality therefore need to take account of the particular characteristics of street intersections. We have performed an experimental and numerical investigation of flow and dispersion mechanisms within an urban intersection, and on the basis of our observations and results, we have developed a new operational model for pollutant exchanges in the intersection, which takes account of the non-uniformity of the pollutant fluxes entering and leaving the intersection. The intersection is created by two streets of square cross-section, crossing orthogonally; concentrations were measured by releasing a neutrally buoyant tracer gas from a line source located in one of the streets. As a general result, the numerical simulations agree well with the measurements made in the wind tunnel experiments, except for the case of ground-level concentrations, where the computed concentrations far from the axis of the line source are significantly lower than the measured values. In the first part of the study we investigate the influence of an intersection on the velocity and concentration fields in the adjoining streets; we show that the immediate influence of the intersection extends within the adjoining streets, to a distance of the order of the characteristic size of the streets. A large recirculating vortex is formed at the entrance to the cross-wind streets, and this determines the exchange of pollutants between the streets and the intersection. For some wind directions the average velocity in the street segment between intersections is the same as that which occurs in an infinitely long street with the same wind, but for other angles the average velocity in the finite-length street is significantly lower. The average concentration along a finite-length street is significantly different from that observed in an infinitely long street. In the second part of the study we investigate how the pollutant fluxes in the incoming streets are redistributed amongst the outgoing streets. An analysis of the mean streamlines shows that the flows remain relatively planar, with little variation over the vertical, and we have exploited this result to develop a simple operational model for the redistribution of pollutant fluxes within the intersection. This model has been further adapted to take account of the influence of fluctuations in wind direction over typical averaging periods. The resulting model is used in the street network model SIRANE.     

Modeling radium and radon transport through soil and vegetation

A one-dimensional flow and transport model was developed to describe the movement of two fluid phases, gas and water, within a porous medium and the transport of 226Ra and 222Rn within and between these two phases. Included in this model is the vegetative uptake of water and aqueous 226Ra and 222Rn that can be extracted from the soil via the transpiration stream. The mathematical model is formulated through a set of phase balance equations and a set of species balance equations. Mass exchange, sink terms and the dependence of physical properties upon phase composition couple the two sets of equations. Numerical solution of each set, with iteration between the sets, is carried out leading to a set-iterative compositional model. The Petrov-Galerkin finite element approach is used to allow for upstream weighting if required for a given simulation. Mass lumping improves solution convergence and stability behavior. The resulting numerical model was applied to four problems and was found to produce accurate, mass conservative solutions when compared to published experimental and numerical results and theoretical column experiments. Preliminary results suggest that the model can be used as an investigative tool to determine the feasibility of phytoremediating radium and radon-contaminated soil.     

Surface Air Pollutant Concentration Frequency Distributions: Implications for Urban Modeling

With the development of ambient air quality standards (AAQS), the need arises to describe the characteristics of regional surface air-pollutant concentration frequency distributions. In the evaluation of land use plans, numerous agencies will be concerned with evaluating the effectiveness of emission zoning and/or control actions. On a regional basis, one means of performing this assessment lies in determining the changes in the pollutant frequency distributions resulting from control actions.

This study presents new data concerning the surface air-pollutant concentration frequency distributions observed for area sources and continuous point sources, and compares these distributions with those of the pertinent meteorological variables describing the transport and diffusion of the pollutant. The observed surface air pollutant frequency distributions are compared to those corresponding to simple modeling concepts from either an urban area source or a continuous point source. For an urban source and a relatively inert pollutant like CO, we found that the observed frequency distribution for CO surface air concentration parallels the approximately log-normal frequency distribution of the reciprocal of the wind speed. We show that the constant relating these two well-correlated frequency distributions can be determined either experimentally or with a numerical simulation model of air pollution. The usefulness of numerical models in air pollution is discussed.     

A modeling study of SOx-NOx-Hydrocarbon plumes and their transport to the background troposphere

A model which emulates the behavior of urban-industrial plumes has been developed and used to analyze the chemical reaction processes occurring as a polluted air mass is transported from an urban area. A 73-step reaction mechanism describing hydrocarbon/NO_xSO_x chemistry was used, with photolytic rate constants depending on the latitude, time of day and time of year. The model includes the physical processes of plume dilution, entrainment and dry deposition, and is simulated under a diurnally varying mixing layer or neutral atmospheric stability conditions.Simulation results are compared with reported field measurements for plumes from St. Louis, Milwaukee, and a power plant plume entrained in the Milwaukee urban plume. The agreement with field concentrations and SO₂ transformation rate data is good, the latter ranging from 1 to 12 % h⁻¹. The study was extended to hypothetical plumes for parametric analysis. In every case considered, the classic O₃ peak occurred at about 3:30 p.m., essentially independent of initial concentrations and plume departure time. The analysis also indicated that substantial SO₂ oxidation via homogeneous gas phase chemistry can occur at night-time, the prerequisite being a high HG/NO_x ratio.     

Modelling the photochemical pollution over the metropolitan area of Porto Alegre,Brazil

The main purpose of this study is to evaluate the photochemical pollution over the Metropolitan Area of Porto Alegre (MAPA), Brazil, where high concentrations of ozone have been registered during the past years. Due to the restricted spatial coverage of the monitoring air quality network, a numerical modelling technique was selected and applied to this assessment exercise. Two different chemistry-transport models – CAMx and CALGRID – were applied for a summer period, driven by the MM5 meteorological model. The meteorological model performance was evaluated comparing its results to available monitoring data measured at the Porto Alegre airport. Validation results point out a good model performance. It was not possible to evaluate the chemistry models performance due to the lack of adequate monitoring data. Nevertheless, the model intercomparison between CAMx and CALGRID shows a similar behaviour in what concerns the simulation of nitrogen dioxide, but some discrepancies concerning ozone. Regarding the fulfilment of the Brazilian air quality targets, the simulated ozone concentrations surpass the legislated value in specific periods, mainly outside the urban area of Porto Alegre. The ozone formation is influenced by the emission of pollutants that act as precursors (like the nitrogen oxides emitted at Porto Alegre urban area and coming from a large refinery complex) and by the meteorological conditions.     

An Atmospheric Diffusion Model for Metropolitan Areas

An urban diffusion model, which does not require the use of an electronic computer, is presented. The main simplifying assumptions are that continuous pollutant sources are uniformly distributed over the urban area and vertical diffusion occurs until the effluent from each line source reaches the top of the mixing layer, after which the effluent is uniformly distributed through the mixing layer. After the appropriate vertical diffusion coefficient is specified, the calculated concentration is a function of source strength, linear dimension of the metropolis, mixing depth, and wind speed. The calculated concentration is interpreted either as a representative maximum concentration or, through integration, as the average concentration over the metropolitan area. When a representative pollutant concentration is known, the model may be used to determine the apparent “uniform” source strength.     

Urban nonpoint source pollution buildup and washoff models for simulating storm runoff quality in the Los Angeles County

Many urban nonpoint source pollution models utilize pollutant buildup and washoff functions to simulate storm runoff quality of urban catchments. In this paper, two urban pollutant washoff load models are derived using pollutant buildup and washoff functions. The first model assumes that there is no residual pollutant after a storm event while the second one assumes that there is always residual pollutant after each storm event. The developed models are calibrated and verified with observed data from an urban catchment in the Los Angeles County. The application results show that the developed model with consideration of residual pollutant is more capable of simulating nonpoint source pollution from urban storm runoff than that without consideration of residual pollutant. For the study area, residual pollutant should be considered in pollutant buildup and washoff functions for simulating urban nonpoint source pollution when the total runoff volume is less than 30 mm.     

Thermal valley inversion impact on the dispersion of a passive pollutant in a complex mountainous area

This contribution deals with the large eddy simulations of a complete diurnal cycle of atmospheric flow within a schematic deep valley for two seasons (i.e. winter and summer). The scale of interest is characteristic of an urban site located in a complex area, with special focus on low wind conditions. The results of the numerical simulations describe the influence of the season on the mechanisms responsible for the formation and the destruction of the inversion layer, and its impact on pollutant trapping within the valley.     

An urban emissions inventory for South America and its application in numerical modeling of atmospheric chemical composition at local and regional scales

This work describes the development of an urban vehicle emissions inventory for South America, based on the analysis and aggregation of available inventories for major cities, with emphasis on its application in regional atmospheric chemistry modeling. Due to the limited number of available local inventories, urban emissions were extrapolated based on the correlation between city vehicle density and mobile source emissions of carbon monoxide (CO) and nitrogen oxides (NOx). Emissions were geographically distributed using a methodology that delimits urban areas using high spatial resolution remote sensing products. This numerical algorithm enabled a more precise representation of urban centers. The derived regional inventory was evaluated by analyzing the performance of a chemical weather forecast model in relation to observations of CO, NOx and O₃ in two different urban areas, São Paulo and Belo Horizonte. The gas mixing ratios simulated using the proposed regional inventory show good agreement with observations, consistently representing their hourly and daily variability. These results show that the integration of municipal inventories in a regional emissions map and their precise distribution in fine scale resolutions are important tools in regional atmospheric chemistry modeling.     

Stress biomarkers and alkali-labile phosphate level in mussels (Mytilus galloprovincialis) collected in the urban area of Venice (Venice Lagoon, Italy)

In this study, a spatial and temporal survey at three sites located in the "canals" of the Venice historic centre (Italy) and at a reference site was undertaken to evaluate stress effects on mussels sampled in the Venice urban area, where raw sewage is discharged without treatment directly into the water. A battery of biomarkers (metallothionein, micronuclei, condition index and survival in air) was used to evaluate the stress condition of the animals. At the same time the alkali-labile phosphate assay (ALP) was performed in mussel' hemolymph with the aim to find an estrogenic effect biomarker in this mussel species. Biomarker results showed an impairment of the general health condition in the mussels coming from the urban area, in agreement with the chemical analysis. Significantly higher level of the ALP was found in male mussels sampled in April in the urban area, in comparison with the ones from the reference site (P<0.001). Finally, the PCA proved an easy and useful tool to summarize the obtained results, also able to classify the data to indicate a pollution gradient in the Venice urban area.     

Ground-level ozone mapping in large urban areas using multivariate statistical analysis: application to the São Paulo Metropolitan Area

A statistical study on the behavior of ground-level O3 concentration in different regions of a large urban area was carried out, with emphasis on pollutant gas concentrations and meteorological variables. The study was based on data generated by a network of measuring stations distributed throughout the S?o Paulo Metropolitan Area, in regions with different characteristics of traffic and economic activities. The combined application of principal component analysis and clustering techniques to data collected from 1997 until 2000 has led to the identification of implicit relationships between variables that have been associated with dominant processes related to O3 formation in different locations. Similarities between different regions of the city have also been detected and associated with local characteristics. The results indicate that the application of such statistical techniques to data collected in large urban areas enables the grouping of different regions according to their behavior in terms of O3 levels, as well as the identification of dominant processes in each group. These techniques are thus important in the planning of air pollution policies, especially in the case of O3, a pollutant that is not directly related to pollution levels alone.     

Mesoscale modeling of wintertime particulate matter episodes in eastern Washington, USA

The Spokane, Washington area is classified as a non-attainment area for the 24-h PM₁₀ standard due to a history of high particulate matter concentrations. A Eulerian regional air quality model (CALMET/CALGRID) has been used to characterize the emission, transport and dispersion of PM₁₀ and PM_2.5 in Spokane. Observations from a residential site (Rockwood, RW) and an industrial site (Crown Zellerbach, CZ), spanning July 1994–August 1996 were used to evaluate the current emission inventory. Two major tasks were devised to conduct the objectives of this investigation. First, a simple and efficient urban dispersion model (WYNDValley) was used to simulate important episodes characterized by the highest PM₁₀ and PM_2.5 concentrations. The selected episodes included four days with wet conditions for which no roads would have been emitting and seven days with dry conditions for which roads would emit. In the second step, a single road-emitting event was selected from the previous predicted results for further analysis using the Eulerian regional air quality model to examine the emission inventory. The urban and regional models predicted the observed concentration distributions reasonably well for the source emissions inventoried in Spokane. The mass concentrations of PM₁₀ were well predicted for the roads emitting case examined by both models indicating that the emission inventory based primarily upon area sources including roads is reasonably well characterized, at least at the RW site. The area sources around CZ are less well characterized, so that the PM₁₀ concentrations are underpredicted at CZ. The models appear unable to reach an equilibrium mass balance status at the beginning of the simulation, and the urban model seems unable to properly resolve the nocturnal boundary layer.     

Applicability of a sharp-interface model for estimating steady-state salinity at pumping wells--validation against sand tank experiments

A numerical sharp-interface model of saltwater and freshwater behavior was validated against experiments conducted in two small scale sand tanks. A simple algorithm was proposed to determine saltwater and freshwater withdrawal rates at a pumping well at which a total pumping rate was specified. Model estimates were compared with transient salinity breakthroughs and steady-state salinities of water extracted from pumping wells in the sand tanks. Experimental scenarios included various combinations of freshwater pumping and injection and saltwater pumping. The corresponding Nash-Sutcliffe model efficiency was 0.95, which showed that the agreement between observations and computed results was satisfactory.     

Urban CO Concentrations and Vehicle Emissions

The effect of the general growth of CO vehicular emissions in urban areas on the CAMP station measurements in downtown areas, where vehicular traffic is saturated is considered. With the assumption that the street-level CO concentration is derived from the sum of an urban background term and a local street-effect term, the urban background CO concentration is computed with a diffusion model by introducing a simple area source distribution. The local street-effect term is taken to be constant at a saturation emission level corresponding to a saturation traffic density when the emission per vehicle-mile and meteorological conditions are fixed. The present analysis indicates that the local street-effect term, AC, has a major role in determining street-level concentrations for pollutants, such as CO, whose air quality standard is based on maximum concentrations with averaging times of 1 hour and 8 hours. The relevance of this analysis to the abatement requirements of the Clean Air Amendments and to the driving cycle adopted is discussed.