Air quality models are formulated using the continuity equation, meteorological equations involving differential equations and

vectors that cannot be solved analytically, but various numerical methods can be used to obtain approximate solutions. Numerical methods can be divided into two main categories: Lagrangian approaches and Eulerian approaches. Lagrangian models are often referred to as trajectory models because they simulate photochemistry in parcels of air that follow the wind tra ectory. Eulerian approaches divide the problem domain into a grid of discrete elements or cells. !perator splitting and various numerical methods are then used to solve the equations over the full domain. "n general, air quality models can be categori#ed as one of two types: steady-state and nonsteady state models. $he movement of mass away from the source %i.e., advection& and turbulent diffusion %e.g., dispersion& are modeled in both types of models. Steady-state models (Dispersion Modeling)are models which assume no time'varying processes occur over the period of interest. (ence, material released travels infinitely in only one direction over the time period %e.g., one hour&. !ften, these models assume that the material is distributed normally %also termed a )*aussian distribution+& and are thus called )Gaussian plume+ models. *aussian plume models estimate the transport and mixing of pollutants in the dispersing plume as it moves downwind from the source. $hey assume that dispersion in the vertical and lateral dimensions will ta,e the form of a normal *aussian curve, with the maximum concentration at the center of the plume. $he steady'state model typically uses meteorological information obtained near the source and assumes it holds true throughout the modeling region %e.g., a -. ,ilometer radius&. /ind direction, wind speed, and atmospheric stability are used to predict concentrations. $his type of model is most widely used for stationary sources and for non'reactive pollutants %although models can ta,e into account deposition and simple linear decay&. $hey model a continuous release downwind from a source.$hese models are typically used in the permitting process to estimate the concentration of pollutants at specified ground' level receptors surrounding an emissions source. $he models are least applicable in areas with rapid time'varying conditions, over spatially varying terrain and land use, over large spatial scales %0 -. ,m&, and where complex atmospheric chemistry ta,es place. on-steady state models (!hotochemical Modeling) are models which can simulate the effects of time' and space varying meteorological conditions on pollutant transport, transformation, and removal. $hese models are often used for chemically reactive pollutants or where there is complex topography or meteorology %e.g., complex sea bree#e circulation&. $hey require complex wind flow characteri#ation and other detailed meteorological information for dispersion. 1or chemical transformation, they require information on the important chemical compounds as well as chemical ,inetics to properly characteri#e the transformation and removal of air toxics. $hese models are typically used in regulatory or policy assessments to simulate the impacts from all sources by estimating pollutant concentrations and deposition of both inert and chemically reactive pollutants over large spatial scales. $hese models often ta,e the form of grid models (bo" models)# $he modeling region is typically divided into grid cells, and the model simulates movement of pollutants between cells by ta,ing into account advection, degradation, and other physical and chemical processes. $he

calculation of the physical and chemical processes ta,es place at each grid location. !ther model types include )puff models+ %illustrated above&, which use a series of overlapping puffs to represent emissions. $he calculations of the physical and chemical processes are made for each )puff.+ $he Gaussian puff models can model either 2teady'state or Non'steady state releases. "n 2teady'2tate Approach: 3lume 4 3uff. "n Non 2teady'2tate Approach: 3uffs follow Air. Another type of non'steady state model, the atmospheric trajectory model, uses meteorological data and mathematical equations to simulate transport in the atmosphere. $he position of a parcel of air with time are calculated based on externally provided meteorological data such as wind speed and direction, temperature, humidity, and pressure. 5odel results depend on the spatial and temporal resolution of the meteorological data used, and also on the complexity of the model itself. 2impler models may deal with only two'dimensional transport by winds assuming the material emitted into the parcel stays at the same level, while more complex models may include 6'dimensional chemical and thermodynamic processes such as aerosol formation, convection, and turbulent diffusion. "n tra ectory models the continuity equation is solved using the wind field as the reference frame. "n box models the advection and dispersion terms are considered to be negligible. "n practical terms these two approaches are quite similar as each reduces the ADR equation to the simpler form of Equation (12). 7ecause of their simplicity and efficiency, tra ectory models have several advantages relative to grid model: 8 $hey are easier to code and operate compared to grid models9 8 "t is easy to specify model inputs and to vary inputs in sensitivity simulations9 8 Large numbers of simulations can be rapidly performed for sensitivity studies. 8 $hey can include large, explicit chemical mechanisms which would be prohibitively expensive in grid models. 8 Easy to modify mechanisms to include explicit chemistry for particular :!;s. 8 $ra ectory models can be used to evaluate chemical effects in isolation from meteorology 8 $he Lagrangian reference frame facilitates evaluation of source'receptor relationships. 8 $heir numerical efficiency allows for simulation of climatological outcomes %i.e., simulations over seasons or years&. Disadvantages of tra ectory models include the following: 8 $hey have overly simplistic representation of transport and turbulent dispersion potentially causing them to underestimate dispersion and overestimate species concentrations. 8 <ifficult to represent multi'day scenarios, especially those with complex mixing including stagnation, re'circulation and re'entrainment of polluted air from above the 37L. 8 $hey provide poor temporal'spatial resolution = output is defined only at a limited set of points and times along the parcel tra ectory. $his ma,es it difficult to evaluate reactivity effects integrated over a geographical area or integrated over time at a given site. $o address this last deficiency, tra ectory models have been defined using multiple air to

parcels moving through a fixed grid with the ensemble average of parcels within grid cells used to calculate species concentrations on the grid %2impson et al., >??@&. $hese approaches have also been useful in global scale chemical tracer models %;$5& for which it is still impractical to solve complex photochemistry on an adequately resolved grid %<erwent, >??A&. 5ultiple'parcel tra ectory models are also useful in cases where there is particular concern for attributing species to their source regions %2impson, >??B&. 1or example, the European E5E3 modeling program is particularly concerned with creating )blame matrices+ to determine which sources contribute to high pollutant levels. $eceptor Modeling ' Ceceptor models are observational techniques with mathematical or statistical procedures for identifying and quantifying the sources of air pollutants at a receptor location. Dnli,e photochemical and dispersion air quality models, receptor models do not use pollutant emissions, meteorological data and chemical transformation mechanisms to estimate the contribution of sources to receptor concentrations. "nstead, receptor models use the chemical and physical characteristics of gases and particles measured at source and receptor to both identify the presence of and to quantify source contributions to receptor concentrations. $he model technique is based essentially on statistical data analysis of measured ambient concentrations. $hese models are not deterministic, in the sense that they do not establish nor simulate a cause'effect, physical relationship between emissions and ambient concentrations. E%&M!LES' $eceptor modelling' !ne of the most common receptor models is the ;hemical 5ass 7alance %;57& 5odel E3A';57vA.@. $his modelE is one of several receptor models that have been applied to air quality problems over the last two decades. 7ased on an effective'variance least squares method %E:L2&, E3A has supported ;57 as a regulatory planning tool through its approval of numerous 2tate "mplementation 3lans %2"3s&, which have a source apportionment component. ;57 requires speciated profiles of potentially contributing sources and the corresponding ambient data from analy#ed samples collected at a single receptor site. ;57 is ideal for locali#ed nonattainment problems and has proven to be a useful tool in applications where steady'state *aussian plume models are inappropriate, as well as for confirming or ad usting emissions inventories. Dispersion modelling' >. S($EE ) F 2creening'level *aussian dispersion model that estimates an hourly maximum ambient concentration based on an average, constant emission rate %concentration results can be scaled up to annual average using simple conversion factors as specified in E3A guidance9%G& results are not direction'specific %i.e., wind direction is not ta,en into account&. F <ata requirements are relatively low9 uses site'specific facility data %e.g., stac, height, diameter, flow rate, downwash&9 does not use site'specific meteorology data.

F <ata processing requirements are low9 easy to use for quic, assessment of a single facility. F 5odel does not estimate deposition rates. @. *ndustrial Source (omple" - Short +erm (*S(S+)) F *aussian dispersion model %more advanced than 2;CEEN6&9 estimates average annual ambient concentration by modeling hourly emissions, and meteorology includes removal effects for wet and dry deposition flux for any locations specified by the user. F <ata requirements are higher than for 2;CEEN69 requires hourly, site'specific, processed meteorological data, physical characteristics of emissions, and terrain information. 5odel can accommodate variable emission rates. F 5ore expertise is required to use model %compared to 2;CEEN6&9 user should possess specific technical and computer s,ills. )# *ndustrial Source (omple" - Long +erm (*S(L+))%a& F 2imilar to "2;2$6, but uses seasonal frequency distribution of meteorological inputs rather than hourly data9 runs more rapidly than "2;2$6, but can only produce concentrations averaged over a relatively long period of time9 not considered as accurate as "2;2$6. F Dnli,e "2;2$6, it cannot simulate wet deposition or complex terrain %terrain higher than the stac, height&. ,# &MS-E!& $egulatory Model (&E$M.D) F Ceplacement model for "2;2$6 using new or improved algorithms on the parameteri#ation of the earthHs boundary layer turbulence and state'of'the'science dispersion modeling9 deposition algorithms should be available soon. F Li,e "2;2$6, is a *aussian formulated model. F 2imilar to "2;2$6, but includes dispersion algorithm for both convective and stable boundary layers and allows plume penetration into elevated inversions. F "ncorporates new algorithms for building downwash. F Dnli,e "2;2$6, it simulates vertical profiles for wind, turbulence, and temperature. F No wet or dry deposition %although planned future improvement&. F Cequires surface characteristics as inputs %e.g., albedo, 7owen ratio, surface roughness&, which allow user to differentiate between different types of terrain. /# &S!E F A *aussian dispersion model used to estimate toxic air pollutant concentrations over a large scale domain from regional to continental scale. %$his is the model used for NA$A ris, characteri#ation analyses.& F Employs a dispersion algorithm similar to "2;L$6. F (owever, unli,e "2;L$6, it includes treatment of wet deposition for particles, and more detailed treatment of chemical transformation than "2;L$6 or "2;2$6, although less detailed than DA5'$ox. F "n contrast to "2;L$6, A23EN can utili#e meteorological information from several locations, and includes a simplified treatment of secondary formation of gaseous air toxics. 0# (&L!122 F A *aussian puff model designed for long'range transport %0 -.,m& assessment, but may also

be applied for near'source in situations with complex meteorology. As described previously, a puff represents a continuous plume as a number of discrete pac,ets of pollutant material. F (as all the functional capabilities of "2;2$6, but also includes capabilities for including 6'dimensional wind fields, vertical wind shear, and overwater effects. F Not as extensively evaluated and tested as "2;2$6 model. F Cequires a substantially higher level of air quality modeling expertise to use the model %compared to "2;2$6&. !hotochemical modelling' >. $he 1rban &irshed Model3 (1&M3) modeling system, developed and maintained by 2ystems Applications "nternational %2A"&, is the most widely used photochemical air quality model in the world today. 2ince 2A"Is pioneering efforts in photochemical air quality modeling in the early >?B.s, the model has undergone nearly continuous cycles of application, performance evaluation, update, extension, and improvement. !ther photochemical models have been developed during this long period, but no model today is more reliable or technically superior. 4# 1&M -+o" (1rban &irshed Model - +o"ics 5ersion) F A three'dimensional, grid'type model used to model pollutants in urban areas. <erived from the Drban Airshed 5odel %DA5&, designed to calculate o#one concentrations under short'term, episodic conditions lasting three to four days resulting from emissions of oxides of nitrogen %N!x&, volatile organic compounds %:!;&, and carbon monoxide %;!&. F 2imulates the most photochemically active air toxics %i.e., acetaldehyde, >,6'butadiene, and formaldehyde&, as well as secondary formation of acetaldehyde and formaldehyde, trac,ing primary and secondary fractions separately. F Cequires a substantially higher level of air quality modeling expertise to use this model %compared to "2;2$6&. )# (M&6' $he primary goals for the 5odels'6J;ommunity 5ultiscale Air Kuality %;5AK& modeling system are to improve >& the environmental management communityIs ability to evaluate the impact of air quality management practices for multiple pollutants at multiple scales and @& the scientistHs ability to better probe, understand, and simulate chemical and physical interactions in the atmosphere. ,# (&M%: $he ;omprehensive Air quality 5odel with extensions is a publicly available open'source computer modeling system for the integrated assessment of gaseous and particulate air pollution. ;A5x is designed to 2imulate air quality over many geographic scales $reat a wide variety of inert and chemically active pollutants: !#one, "norganic and organic 35@.-J35>., 5ercury and toxics 3rovide source'receptor, sensitivity, and process analyses 7e computationally efficient and easy to use $he D.2. E3A has approved the use of ;A5x for numerous o#one and 35

2tate "mplementation 3lans throughout the D.2, and has used this model to evaluate regional mitigation strategies. !lume $ise Modules 5ost air pollution models include a computational module for computing plume rise, i.e., the initial behavior of a hot plume in ected vertically into a hori#ontal wind flow. "n particular, AEC5!< includes 3C"5E %3lume Cise 5odel Enhancements&: 3C"5E is an algorithm for simulating plume rise effects, including downwash as the plume travels over buildings. .ther models' 5any additional models are available either for regulatory applications or for CL< studies.